smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)n2ncc(C(=O)N[C@@]3(C(=O)[O-])CCC[N@H+](Cc4ccccc4)C3)c2n1 ZINC001123267712 939817201 /nfs/dbraw/zinc/81/72/01/939817201.db2.gz JKKZNEVYSGMIHR-QFIPXVFZSA-N 0 0 407.474 2.195 20 0 HEADRN O=C([O-])[C@@]1(NC(=O)c2cccc(-n3ccnn3)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC001123372782 939823187 /nfs/dbraw/zinc/82/31/87/939823187.db2.gz UWJVTDNNWGMTHQ-JOCHJYFZSA-N 0 0 405.458 2.117 20 0 HEADRN COC(=O)c1cc(S(=O)(=O)N[C@H]2CCO[C@@H](C(C)C)C2)c(Br)o1 ZINC000771809007 1079541686 /nfs/dbraw/zinc/54/16/86/1079541686.db2.gz XVGMUNNPKBMGTP-VHSXEESVSA-N 0 0 410.286 2.311 20 0 HEADRN CCO[C@H](C)c1ncc(C(=O)OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)s1 ZINC000745444931 1078483535 /nfs/dbraw/zinc/48/35/35/1078483535.db2.gz DZSMCJVDGNNXFA-LLVKDONJSA-N 0 0 412.489 2.440 20 0 HEADRN CCCn1c(=O)cc(Nc2nc(Cl)cc([C@H]3CCC(=O)NC3)n2)n(CCC)c1=O ZINC001170007846 1078476003 /nfs/dbraw/zinc/47/60/03/1078476003.db2.gz YKKJPDIBBOLCPM-LBPRGKRZSA-N 0 0 420.901 2.011 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)c(=O)[nH]c1=O ZINC000769622980 1078476307 /nfs/dbraw/zinc/47/63/07/1078476307.db2.gz DFPXUAWGMNQEEY-ZDUSSCGKSA-N 0 0 409.512 2.498 20 0 HEADRN CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(C)on2)cc1F ZINC000769622931 1078476350 /nfs/dbraw/zinc/47/63/50/1078476350.db2.gz AQXHTTIRCFOYTE-MRXNPFEDSA-N 0 0 417.484 2.410 20 0 HEADRN O=C(OCCNS(=O)(=O)c1ccccc1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000745434695 1078476820 /nfs/dbraw/zinc/47/68/20/1078476820.db2.gz QMIFHLMXIQRKEF-QGZVFWFLSA-N 0 0 422.890 2.215 20 0 HEADRN O=C(O[C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000745434543 1078477164 /nfs/dbraw/zinc/47/71/64/1078477164.db2.gz ZOXXJVUHQZVKDR-STQMWFEESA-N 0 0 404.772 2.399 20 0 HEADRN Cc1cc(N2CC[C@H](OC(=O)[C@H]3CCN(c4cccc(Cl)c4)C3=O)C2=O)n(C)n1 ZINC000745436300 1078478818 /nfs/dbraw/zinc/47/88/18/1078478818.db2.gz ZLIREYBIIWOUPR-HOTGVXAUSA-N 0 0 416.865 2.084 20 0 HEADRN C[C@@H](C(=O)OCc1nnc(-c2ccccc2Cl)o1)S(=O)(=O)C1CCOCC1 ZINC000769681519 1078479890 /nfs/dbraw/zinc/47/98/90/1078479890.db2.gz DUGVXGMOZZNRJR-NSHDSACASA-N 0 0 414.867 2.416 20 0 HEADRN Cc1ccc(C(=O)N(C)C)cc1OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000769683051 1078479922 /nfs/dbraw/zinc/47/99/22/1078479922.db2.gz ZSWAFGMTPPZDBA-ZVZYQTTQSA-N 0 0 405.520 2.328 20 0 HEADRN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)OCc1nc(CS(C)(=O)=O)no1 ZINC000745438755 1078480581 /nfs/dbraw/zinc/48/05/81/1078480581.db2.gz VGTBMAYVQWPBQU-UHFFFAOYSA-N 0 0 410.839 2.119 20 0 HEADRN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc1nccs1 ZINC000769685034 1078480651 /nfs/dbraw/zinc/48/06/51/1078480651.db2.gz AUGPLEMFIYACQX-JTQLQIEISA-N 0 0 405.933 2.170 20 0 HEADRN CCCCNC(=O)C1CCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769686193 1078481251 /nfs/dbraw/zinc/48/12/51/1078481251.db2.gz WKZMWFSNHUFHHR-UHFFFAOYSA-N 0 0 408.300 2.260 20 0 HEADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCO[C@H](C)C2)c1 ZINC000769686678 1078482053 /nfs/dbraw/zinc/48/20/53/1078482053.db2.gz DGSOHWIGVJAYFI-OLZOCXBDSA-N 0 0 424.972 2.216 20 0 HEADRN CC(C)CN1C(=O)C(=O)N(CN2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)C1=O ZINC000769648652 1078484368 /nfs/dbraw/zinc/48/43/68/1078484368.db2.gz IHWJMEBUDZFQLK-UHFFFAOYSA-N 0 0 424.542 2.360 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)NCCc2sc(C)nc2C)c(=O)[nH]c1=O ZINC000769649463 1078485137 /nfs/dbraw/zinc/48/51/37/1078485137.db2.gz XEMSQFAQMZGBEH-UHFFFAOYSA-N 0 0 414.553 2.124 20 0 HEADRN CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2cnc([C@@H](C)OCC)s2)CC1 ZINC000745446618 1078485299 /nfs/dbraw/zinc/48/52/99/1078485299.db2.gz NAFNSMJBFKKCHW-CHWSQXEVSA-N 0 0 413.496 2.087 20 0 HEADRN CCN(CC1CCN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1)C(=O)OC(C)(C)C ZINC000745449268 1078486353 /nfs/dbraw/zinc/48/63/53/1078486353.db2.gz XERPOXLNVVWAPY-INIZCTEOSA-N 0 0 417.572 2.100 20 0 HEADRN Cc1cc(N2CC[C@@H](OC(=O)c3ccc(Br)c(C)c3N)C2=O)n(C)n1 ZINC000745451445 1078488030 /nfs/dbraw/zinc/48/80/30/1078488030.db2.gz CLXKLFJQDXRFOO-CYBMUJFWSA-N 0 0 407.268 2.344 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)Oc2ccc(C(=O)NCC)cc2)c(=O)[nH]c1=O ZINC000769655104 1078490163 /nfs/dbraw/zinc/49/01/63/1078490163.db2.gz QELKJGRVGRQWIB-UHFFFAOYSA-N 0 0 423.491 2.047 20 0 HEADRN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccnc(Cl)c3)CC2)cc1 ZINC000745455479 1078490933 /nfs/dbraw/zinc/49/09/33/1078490933.db2.gz FGCNSGBIXNAKMF-UHFFFAOYSA-N 0 0 423.922 2.418 20 0 HEADRN CC(C)n1cc(Br)cc1C(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000745459023 1078492288 /nfs/dbraw/zinc/49/22/88/1078492288.db2.gz DCOVELOGCDWUOG-LLVKDONJSA-N 0 0 414.300 2.101 20 0 HEADRN C[C@@H](CNS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1)C[C@H](C)O ZINC000769659461 1078495272 /nfs/dbraw/zinc/49/52/72/1078495272.db2.gz VGIMKBJUIMFWGF-SJORKVTESA-N 0 0 412.552 2.362 20 0 HEADRN CN(CCc1ccc(F)cc1)C(=O)C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000804264791 1078495743 /nfs/dbraw/zinc/49/57/43/1078495743.db2.gz LPVHLHJTJCQOGV-QGZVFWFLSA-N 0 0 407.486 2.342 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2SCC)c(=O)[nH]c1=O ZINC000769659138 1078496166 /nfs/dbraw/zinc/49/61/66/1078496166.db2.gz CJTDTXRFKRLABE-ZIAGYGMSSA-N 0 0 403.570 2.482 20 0 HEADRN C[C@@H](CC(=O)c1ccccc1F)C(=O)OCC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000745485688 1078496227 /nfs/dbraw/zinc/49/62/27/1078496227.db2.gz CQUOIKMREFOKNF-GJZGRUSLSA-N 0 0 406.454 2.095 20 0 HEADRN O=C(c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)N1CCCC12CCC2 ZINC000769658483 1078497092 /nfs/dbraw/zinc/49/70/92/1078497092.db2.gz LROLSKASGOVIKM-HNNXBMFYSA-N 0 0 404.488 2.169 20 0 HEADRN CCOC(=O)N1CCC(NC(=O)COC(=O)[C@@H](C)CC(=O)c2ccccc2F)CC1 ZINC000745488423 1078498031 /nfs/dbraw/zinc/49/80/31/1078498031.db2.gz ILMHELGORAEDCR-AWEZNQCLSA-N 0 0 422.453 2.315 20 0 HEADRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(C)ccc(C(=O)OC)c2O)c1 ZINC000769660206 1078498066 /nfs/dbraw/zinc/49/80/66/1078498066.db2.gz OIHCRAVFNMEDSG-UHFFFAOYSA-N 0 0 412.851 2.301 20 0 HEADRN CN(C[C@H]1CCCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C1)C(=O)OC(C)(C)C ZINC000745465348 1078499263 /nfs/dbraw/zinc/49/92/63/1078499263.db2.gz HSICSXJXTQLCKK-CQSZACIVSA-N 0 0 411.524 2.053 20 0 HEADRN CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2c(C)ccc(C(=O)OC)c2O)c1 ZINC000769660575 1078500197 /nfs/dbraw/zinc/50/01/97/1078500197.db2.gz RCCXXARWUZYASU-UHFFFAOYSA-N 0 0 406.460 2.346 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)c(=O)[nH]c1=O ZINC000769660798 1078500262 /nfs/dbraw/zinc/50/02/62/1078500262.db2.gz PWIQFFQXWRDHLN-UHFFFAOYSA-N 0 0 411.446 2.492 20 0 HEADRN COCc1cccc(CNC(=O)COC(=O)c2nn(-c3ccc(F)cc3)nc2C)c1 ZINC000745467415 1078500899 /nfs/dbraw/zinc/50/08/99/1078500899.db2.gz IEWIVABQTVQYCW-UHFFFAOYSA-N 0 0 412.421 2.334 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)N(C)[C@@H]2C[C@](C)(OC)C2(C)C)c(=O)[nH]c1=O ZINC000769661521 1078500813 /nfs/dbraw/zinc/50/08/13/1078500813.db2.gz QWDAXXYLXGZKAJ-BEFAXECRSA-N 0 0 415.556 2.353 20 0 HEADRN NC(=O)c1ccc(CN(C(=O)c2nccn3c(Br)cnc23)C2CC2)cc1 ZINC000769664607 1078504492 /nfs/dbraw/zinc/50/44/92/1078504492.db2.gz QIOMTMSBVUVBHK-UHFFFAOYSA-N 0 0 414.263 2.396 20 0 HEADRN CC(C)[C@H](C)NC(=O)COC(=O)c1n[nH]c2ccc(I)cc21 ZINC000745475494 1078504798 /nfs/dbraw/zinc/50/47/98/1078504798.db2.gz NLYFXAVFBKFRDS-VIFPVBQESA-N 0 0 415.231 2.485 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)NCCC[C@H]2CCCC[C@H]2O)c(=O)[nH]c1=O ZINC000769666284 1078505088 /nfs/dbraw/zinc/50/50/88/1078505088.db2.gz DSNAKKWSGNLLPX-HZPDHXFCSA-N 0 0 415.556 2.139 20 0 HEADRN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2c(C)nn(C)c2C)cc1F ZINC000769673619 1078515198 /nfs/dbraw/zinc/51/51/98/1078515198.db2.gz QIHWAWGNOYAYKI-UHFFFAOYSA-N 0 0 405.473 2.095 20 0 HEADRN CC(=O)N[C@H]1CCCN(C(=O)COC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)C1 ZINC000745494989 1078508994 /nfs/dbraw/zinc/50/89/94/1078508994.db2.gz CGJCQCINKYOPFZ-HNNXBMFYSA-N 0 0 421.469 2.094 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)Oc2ccc3nccnc3c2)c(=O)[nH]c1=O ZINC000769670316 1078510117 /nfs/dbraw/zinc/51/01/17/1078510117.db2.gz CUFKXGGAWNQECX-UHFFFAOYSA-N 0 0 404.448 2.240 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)NC2(C)Cc3ccccc3C2)c(=O)[nH]c1=O ZINC000769671361 1078511187 /nfs/dbraw/zinc/51/11/87/1078511187.db2.gz CNAWYMFFJYZQPD-UHFFFAOYSA-N 0 0 405.520 2.365 20 0 HEADRN C[C@@H](CO)CCCNS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000769673334 1078513249 /nfs/dbraw/zinc/51/32/49/1078513249.db2.gz YADJCULQEVRZEZ-QGZVFWFLSA-N 0 0 412.552 2.363 20 0 HEADRN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ncc(Br)cc1F ZINC000769671600 1078513273 /nfs/dbraw/zinc/51/32/73/1078513273.db2.gz KTZIFIDTXZNRQE-UHFFFAOYSA-N 0 0 423.285 2.496 20 0 HEADRN NC(=O)[C@H]1CC(C(=O)Nc2ccc(Nc3ncccn3)cc2)=NN1c1ccccc1 ZINC000769673324 1078513341 /nfs/dbraw/zinc/51/33/41/1078513341.db2.gz PPVCPSKKJGYNCM-GOSISDBHSA-N 0 0 401.430 2.279 20 0 HEADRN Cn1cc([C@H](O)C[C@H]2CCCN2S(=O)(=O)c2c[nH]c3nccc(Cl)c23)cn1 ZINC000769673694 1078515246 /nfs/dbraw/zinc/51/52/46/1078515246.db2.gz SECPIUNTPAWIGO-TZMCWYRMSA-N 0 0 409.899 2.227 20 0 HEADRN O=C(OCCn1c(=O)oc2ccccc21)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000745500839 1078516069 /nfs/dbraw/zinc/51/60/69/1078516069.db2.gz YIKAFPKARMLKFL-LJQANCHMSA-N 0 0 400.406 2.350 20 0 HEADRN CN(Cc1cnn(C)c1)C(=O)COC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000745501315 1078516108 /nfs/dbraw/zinc/51/61/08/1078516108.db2.gz UKGIPTKFENPLRS-UHFFFAOYSA-N 0 0 404.442 2.359 20 0 HEADRN COC(OC)c1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)o1 ZINC000769677380 1078516489 /nfs/dbraw/zinc/51/64/89/1078516489.db2.gz DYNKMKIIMJFQDI-UHFFFAOYSA-N 0 0 405.426 2.107 20 0 HEADRN CC(C)c1ccc(C(=O)COC(=O)c2ccccc2NC(=O)Cn2cnnn2)cc1 ZINC000745503579 1078517303 /nfs/dbraw/zinc/51/73/03/1078517303.db2.gz QXRIRQWCNXJSGD-UHFFFAOYSA-N 0 0 407.430 2.475 20 0 HEADRN CC(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)Oc2ccccc21 ZINC000769679080 1078517493 /nfs/dbraw/zinc/51/74/93/1078517493.db2.gz IEKNGIODJXTFHR-LJQANCHMSA-N 0 0 417.487 2.126 20 0 HEADRN COc1c(Br)c(C)sc1C(=O)OCc1nc(N)nc(N(C)C)n1 ZINC000745504346 1078517997 /nfs/dbraw/zinc/51/79/97/1078517997.db2.gz WEBTXMPRPGAZGK-UHFFFAOYSA-N 0 0 402.274 2.018 20 0 HEADRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)OC(=O)c2cncc(C)c2)c1 ZINC000745508095 1078518479 /nfs/dbraw/zinc/51/84/79/1078518479.db2.gz PAFXHHDNNAKZSZ-GFCCVEGCSA-N 0 0 400.387 2.147 20 0 HEADRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2cncc(C)c2)cc1 ZINC000745506746 1078518538 /nfs/dbraw/zinc/51/85/38/1078518538.db2.gz DCIMIVWUPQIOID-UHFFFAOYSA-N 0 0 405.476 2.216 20 0 HEADRN CCn1c(COC(=O)c2cncc(C)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000745507677 1078518577 /nfs/dbraw/zinc/51/85/77/1078518577.db2.gz QKFBSHPSAOVHSX-UHFFFAOYSA-N 0 0 402.476 2.367 20 0 HEADRN Cc1cc(Br)cnc1NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000769733537 1078519788 /nfs/dbraw/zinc/51/97/88/1078519788.db2.gz DJHGOZBAHLLPFB-UHFFFAOYSA-N 0 0 423.292 2.172 20 0 HEADRN COc1cc(/C=C\C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc(OC)c1O ZINC000745510469 1078520210 /nfs/dbraw/zinc/52/02/10/1078520210.db2.gz CBYPKRIDYARZST-UTCJRWHESA-N 0 0 415.398 2.376 20 0 HEADRN COc1ccc(CNC(=O)COC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc1 ZINC000745512024 1078520615 /nfs/dbraw/zinc/52/06/15/1078520615.db2.gz ZBXDXTYDEBMEQB-RMKNXTFCSA-N 0 0 401.415 2.291 20 0 HEADRN Cn1ccc(N2CCC[C@H](OC(=O)Cc3csc(NC(=O)C(C)(C)C)n3)C2=O)n1 ZINC000745513096 1078520636 /nfs/dbraw/zinc/52/06/36/1078520636.db2.gz QEWRUUCAIJTJGZ-ZDUSSCGKSA-N 0 0 419.507 2.143 20 0 HEADRN COC(=O)c1cc(S(=O)(=O)N[C@H]2CCO[C@@H](C)C2)c(Br)cc1F ZINC000769691414 1078521799 /nfs/dbraw/zinc/52/17/99/1078521799.db2.gz NMOWCDXRYOVYBN-IUCAKERBSA-N 0 0 410.261 2.221 20 0 HEADRN O=C(COC(=O)c1ccccc1Cn1cncn1)Nc1ccnn1Cc1cccs1 ZINC000745523322 1078521959 /nfs/dbraw/zinc/52/19/59/1078521959.db2.gz ANZXVGKJTCCLCK-UHFFFAOYSA-N 0 0 422.470 2.428 20 0 HEADRN NC(=O)[C@@H](OC(=O)c1ccccc1Cn1cncn1)c1ccc(Br)cc1 ZINC000745523475 1078522629 /nfs/dbraw/zinc/52/26/29/1078522629.db2.gz HINFEHNRWMWKAV-INIZCTEOSA-N 0 0 415.247 2.472 20 0 HEADRN COC(=O)[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)Cc2ccccc21 ZINC001170009282 1078523786 /nfs/dbraw/zinc/52/37/86/1078523786.db2.gz NCPQEWBJPIVEPC-FGZHOGPDSA-N 0 0 408.498 2.483 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CC(C)(C)OC(=O)N[C@H](Cc1nc(CS(=O)(=O)NC2CC2)no1)c1ccccc1 ZINC000771641455 1079447545 /nfs/dbraw/zinc/44/75/45/1079447545.db2.gz RKUBBAPOAYZCRV-OAHLLOKOSA-N 0 0 422.507 2.460 20 0 HEADRN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)[C@H](O)c1ccc(F)cc1 ZINC000771684228 1079448693 /nfs/dbraw/zinc/44/86/93/1079448693.db2.gz ZLTFGOAZRPDADV-KUUHDYPXSA-N 0 0 414.433 2.188 20 0 HEADRN C[C@H](NC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000771684136 1079448702 /nfs/dbraw/zinc/44/87/02/1079448702.db2.gz VWHILOTVCLLXNT-CKFHNAJUSA-N 0 0 408.495 2.418 20 0 HEADRN Cc1c(C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)nnn1-c1ccc2c(c1)OCCO2 ZINC000771686121 1079449477 /nfs/dbraw/zinc/44/94/77/1079449477.db2.gz OBGQPJQYDACWJW-FKIZINRSSA-N 0 0 412.421 2.338 20 0 HEADRN Cc1c(C(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)nnn1-c1ccc2c(c1)OCCO2 ZINC000771686122 1079450141 /nfs/dbraw/zinc/45/01/41/1079450141.db2.gz OBGQPJQYDACWJW-MPBGBICISA-N 0 0 412.421 2.338 20 0 HEADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N[C@@H](CC(N)=O)C2CCOCC2)c1 ZINC000771685539 1079450152 /nfs/dbraw/zinc/45/01/52/1079450152.db2.gz HAZAAGPAAWGRON-KRWDZBQOSA-N 0 0 405.495 2.363 20 0 HEADRN COCCn1cc(C(=O)N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)nn1 ZINC001169879657 1079453111 /nfs/dbraw/zinc/45/31/11/1079453111.db2.gz IQWNIMDRHNPIOW-NUEKZKHPSA-N 0 0 407.515 2.078 20 0 HEADRN CC[C@H](NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)[C@H](O)c1c(F)cccc1F ZINC000771697656 1079454003 /nfs/dbraw/zinc/45/40/03/1079454003.db2.gz IAGIFKQCLZJYSE-HZUJVAHNSA-N 0 0 417.412 2.261 20 0 HEADRN CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H](O)c1c(F)cccc1F ZINC000771697581 1079454051 /nfs/dbraw/zinc/45/40/51/1079454051.db2.gz HTULPIKZSVQMGO-AEFFLSMTSA-N 0 0 412.458 2.457 20 0 HEADRN CC[C@@H](NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)[C@@H](O)c1c(F)cccc1F ZINC000771698116 1079454373 /nfs/dbraw/zinc/45/43/73/1079454373.db2.gz OFZUIRJHAPBGIY-CRAIPNDOSA-N 0 0 423.460 2.490 20 0 HEADRN 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AQHJPWBSLCHPCH-NSHDSACASA-N 0 0 408.705 2.190 20 0 HEADRN CNC(=O)c1cc(Oc2cccc(OS(=O)(=O)c3cc(C)cnc3N)c2)ccn1 ZINC000766869280 1079463439 /nfs/dbraw/zinc/46/34/39/1079463439.db2.gz JKQNALFYBPBUOK-UHFFFAOYSA-N 0 0 414.443 2.287 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)CCCN3C(=O)CCC3=O)C(C)(C)[C@H]21 ZINC001169868474 1079463943 /nfs/dbraw/zinc/46/39/43/1079463943.db2.gz BWHJNBAYTCUBMM-ZMYBRWDISA-N 0 0 421.538 2.456 20 0 HEADRN CC(C)OC[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)CCO1 ZINC000771678728 1079464241 /nfs/dbraw/zinc/46/42/41/1079464241.db2.gz UPUGKQUMAYHKFK-GHTZIAJQSA-N 0 0 408.470 2.390 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3ccc(C(N)=O)nc3)C(C)(C)[C@@H]21 ZINC001169869770 1079464426 /nfs/dbraw/zinc/46/44/26/1079464426.db2.gz KDJWCXIQJRFBKH-FVQBIDKESA-N 0 0 402.495 2.334 20 0 HEADRN CCCCS(=O)(=O)N1CCC(C(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)CC1 ZINC000771678796 1079464689 /nfs/dbraw/zinc/46/46/89/1079464689.db2.gz POTAABKALMXNKY-KDOFPFPSSA-N 0 0 400.516 2.206 20 0 HEADRN C[C@H](NC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn21)[C@@H](O)c1ccc(F)cc1 ZINC000771679894 1079465090 /nfs/dbraw/zinc/46/50/90/1079465090.db2.gz UWZOUIXXMWAUCK-BBATYDOGSA-N 0 0 423.404 2.079 20 0 HEADRN CCOC(=O)c1cccc(CNc2c(C(=O)OCC)cnc3ccc(OC)nc32)n1 ZINC001169875130 1079465617 /nfs/dbraw/zinc/46/56/17/1079465617.db2.gz KWKFZASMNKBQLK-UHFFFAOYSA-N 0 0 410.430 2.421 20 0 HEADRN NC(=O)c1cc(OC2CCN(c3ccccc3S(=O)(=O)C(F)F)CC2)ccn1 ZINC000771682463 1079465626 /nfs/dbraw/zinc/46/56/26/1079465626.db2.gz FPFXMWAULMUHBR-UHFFFAOYSA-N 0 0 411.430 2.225 20 0 HEADRN CC(=O)c1ccc(S(=O)(=O)CC(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)cc1F ZINC000771680795 1079465690 /nfs/dbraw/zinc/46/56/90/1079465690.db2.gz XMCNPXGVXVYORV-WYRIXSBYSA-N 0 0 411.426 2.179 20 0 HEADRN CS(=O)(=O)c1cc(C(=O)N2CCC(C3N=NC(=S)N3C3CC3)CC2)cs1 ZINC000766870320 1079466672 /nfs/dbraw/zinc/46/66/72/1079466672.db2.gz NJPNQSKUOVKWHY-UHFFFAOYSA-N 0 0 412.562 2.387 20 0 HEADRN COC[C@@]1(C)CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CCO1 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Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)NC[C@H](O)c1ccccc1F ZINC000065390273 1077579706 /nfs/dbraw/zinc/57/97/06/1077579706.db2.gz HAXWCVOEOXXLPC-IBGZPJMESA-N 0 0 417.506 2.476 20 0 HEADRN O=C(COC(=O)CS(=O)(=O)C1CCCC1)Nc1ccnn1CC1CCCCC1 ZINC000744779820 1077581353 /nfs/dbraw/zinc/58/13/53/1077581353.db2.gz ZTXVHSPRLVNPLT-UHFFFAOYSA-N 0 0 411.524 2.303 20 0 HEADRN COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2cnc3ncnn3c2C(C)C)c1 ZINC000744779692 1077581379 /nfs/dbraw/zinc/58/13/79/1077581379.db2.gz HDSIJDHNLDLIPU-LBPRGKRZSA-N 0 0 413.434 2.449 20 0 HEADRN Cc1[nH]nc2ncc(C(=O)OCC(=O)N3CCN([C@H](C)c4ccccc4)CC3)cc12 ZINC000744783411 1077582019 /nfs/dbraw/zinc/58/20/19/1077582019.db2.gz FMSAQVCOSRGDAS-MRXNPFEDSA-N 0 0 407.474 2.329 20 0 HEADRN C[C@H](OC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC(C)(C)C ZINC000744781725 1077582245 /nfs/dbraw/zinc/58/22/45/1077582245.db2.gz SXQUHOWDUIIJLN-QWHCGFSZSA-N 0 0 402.538 2.138 20 0 HEADRN Cc1[nH]nc2ncc(C(=O)OCC(=O)NCC(=O)Nc3cccc(Cl)c3C)cc12 ZINC000744785258 1077583085 /nfs/dbraw/zinc/58/30/85/1077583085.db2.gz RDLMWWHKJPCTIF-UHFFFAOYSA-N 0 0 415.837 2.140 20 0 HEADRN CCOC(=O)c1c(C)oc2nc(COC(=O)c3cnc4n[nH]c(C)c4c3)nc(N)c21 ZINC000744785797 1077583869 /nfs/dbraw/zinc/58/38/69/1077583869.db2.gz QCQMPZITLSKASP-UHFFFAOYSA-N 0 0 410.390 2.227 20 0 HEADRN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000744814617 1077585819 /nfs/dbraw/zinc/58/58/19/1077585819.db2.gz BJRYYDSAUXIRJH-RHSMWYFYSA-N 0 0 412.508 2.160 20 0 HEADRN C[C@H](OC(=O)c1c[nH]nc1-c1ccncc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000744813819 1077586028 /nfs/dbraw/zinc/58/60/28/1077586028.db2.gz KDYFITUWYGZLMF-HNNXBMFYSA-N 0 0 421.457 2.492 20 0 HEADRN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000744815324 1077586910 /nfs/dbraw/zinc/58/69/10/1077586910.db2.gz HQYIUYSWRCSSNN-MLGOLLRUSA-N 0 0 418.462 2.429 20 0 HEADRN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)NCCc1ccccc1C ZINC000744816249 1077587706 /nfs/dbraw/zinc/58/77/06/1077587706.db2.gz LEOYBOREPBRTMI-PKOBYXMFSA-N 0 0 424.563 2.180 20 0 HEADRN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cccnc1Cl ZINC000744816751 1077587953 /nfs/dbraw/zinc/58/79/53/1077587953.db2.gz MISFPFSFZFVCPE-TZMCWYRMSA-N 0 0 417.915 2.200 20 0 HEADRN Cc1nn2cccnc2c1C(=O)O[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000744819607 1077589234 /nfs/dbraw/zinc/58/92/34/1077589234.db2.gz AMMXCEGFEPGRAI-OAHLLOKOSA-N 0 0 409.446 2.058 20 0 HEADRN CCC(=O)N1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000744820341 1077590505 /nfs/dbraw/zinc/59/05/05/1077590505.db2.gz VBLPIKANZPHSHB-CRAIPNDOSA-N 0 0 415.490 2.475 20 0 HEADRN CCC(=O)N1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000744820327 1077590661 /nfs/dbraw/zinc/59/06/61/1077590661.db2.gz UVWGKNSKTZYRAV-HOCLYGCPSA-N 0 0 406.479 2.043 20 0 HEADRN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000744792844 1077593642 /nfs/dbraw/zinc/59/36/42/1077593642.db2.gz IAZZCOWCGZDFFY-DZGCQCFKSA-N 0 0 408.480 2.330 20 0 HEADRN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000744793813 1077594936 /nfs/dbraw/zinc/59/49/36/1077594936.db2.gz RKHWIWOASRQKKN-ZHALLVOQSA-N 0 0 424.563 2.432 20 0 HEADRN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)O[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000744794711 1077595441 /nfs/dbraw/zinc/59/54/41/1077595441.db2.gz PPFVXLOGEOKRGL-YLFCFFPRSA-N 0 0 402.557 2.207 20 0 HEADRN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000744794914 1077595747 /nfs/dbraw/zinc/59/57/47/1077595747.db2.gz SLQSGNOZAJAOQQ-ODZFXCKXSA-N 0 0 402.557 2.207 20 0 HEADRN CCC1(CNC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)CCOCC1 ZINC000744803230 1077598834 /nfs/dbraw/zinc/59/88/34/1077598834.db2.gz LGJVRMXXWYCICB-UHFFFAOYSA-N 0 0 402.463 2.342 20 0 HEADRN CON(C)S(=O)(=O)c1cc(C(=O)NCCCC(=O)OC(C)(C)C)ccc1Cl ZINC000744802799 1077598864 /nfs/dbraw/zinc/59/88/64/1077598864.db2.gz VHUCVDMLKIYTMJ-UHFFFAOYSA-N 0 0 420.915 2.374 20 0 HEADRN CC(C)c1nn(C)cc1C(=O)O[C@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000744804954 1077599341 /nfs/dbraw/zinc/59/93/41/1077599341.db2.gz NCWFVTLNJFLAPS-HUUCEWRRSA-N 0 0 401.463 2.387 20 0 HEADRN Cc1c[nH]c(=O)n1-c1ccc(C(=O)OCC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)cc1 ZINC000744838618 1077601237 /nfs/dbraw/zinc/60/12/37/1077601237.db2.gz AZXSTRGVBGOLFC-AWEZNQCLSA-N 0 0 409.446 2.271 20 0 HEADRN CCCC(=O)N1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000744838206 1077601607 /nfs/dbraw/zinc/60/16/07/1077601607.db2.gz RPCLGTHHSNIJLS-DOTOQJQBSA-N 0 0 403.479 2.125 20 0 HEADRN Cc1cccc(Cn2[nH]ccc2=NC(=O)COC(=O)[C@H](C)Sc2ncccn2)c1 ZINC000744838819 1077602410 /nfs/dbraw/zinc/60/24/10/1077602410.db2.gz CSUOWHKASBVXTO-HNNXBMFYSA-N 0 0 411.487 2.114 20 0 HEADRN Cc1cc(N2CC[C@@H](OC(=O)[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2=O)n(C)n1 ZINC000744842375 1077604239 /nfs/dbraw/zinc/60/42/39/1077604239.db2.gz KZFSKISEJAKZBK-HZPDHXFCSA-N 0 0 416.865 2.084 20 0 HEADRN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000744844016 1077605357 /nfs/dbraw/zinc/60/53/57/1077605357.db2.gz SWFVCMQACGNYOQ-GDBMZVCRSA-N 0 0 414.462 2.046 20 0 HEADRN O=C(CCNC(=O)c1ccc(F)cc1)OCC(=O)c1ccc(N2CCOC2=O)cc1 ZINC000744846319 1077606120 /nfs/dbraw/zinc/60/61/20/1077606120.db2.gz PGAXMXGLCMNGQN-UHFFFAOYSA-N 0 0 414.389 2.328 20 0 HEADRN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)[C@@H](CO)NC(=O)c1ccccc1 ZINC000744828636 1077610799 /nfs/dbraw/zinc/61/07/99/1077610799.db2.gz JYIKEPVRRQBBAS-CXAGYDPISA-N 0 0 404.850 2.310 20 0 HEADRN Cc1nc2cc(F)cc(C(=O)OCCN3C(=O)NC4(CCCC4)C3=O)c2nc1C ZINC000744829260 1077612005 /nfs/dbraw/zinc/61/20/05/1077612005.db2.gz URDCYISUGJEUOK-UHFFFAOYSA-N 0 0 400.410 2.407 20 0 HEADRN CCC[C@H](C)N1C[C@@H](C(=O)O[C@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1=O ZINC000744832048 1077614072 /nfs/dbraw/zinc/61/40/72/1077614072.db2.gz ZVDDGBOLANAVJM-YDHLFZDLSA-N 0 0 422.503 2.220 20 0 HEADRN CC(C)(C)OC(=O)N1CCN(CCNC(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)CC1 ZINC000744832887 1077615296 /nfs/dbraw/zinc/61/52/96/1077615296.db2.gz MOGNKXUVQFRWEI-QGZVFWFLSA-N 0 0 419.526 2.017 20 0 HEADRN CC(C)S(=O)(=O)CC(=O)O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000744834684 1077616262 /nfs/dbraw/zinc/61/62/62/1077616262.db2.gz CZGULJZZCKTTDR-AWEZNQCLSA-N 0 0 405.419 2.150 20 0 HEADRN CCCC(=O)N1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000744836180 1077617440 /nfs/dbraw/zinc/61/74/40/1077617440.db2.gz JSRHPUPCLIYSJK-YOEHRIQHSA-N 0 0 424.519 2.354 20 0 HEADRN CC(C)CCNC(=O)[C@H](C)OC(=O)[C@H](NC(=O)c1cc(Cl)ccc1F)[C@@H](C)O ZINC000744849812 1077619574 /nfs/dbraw/zinc/61/95/74/1077619574.db2.gz BOYWYUXOVOHSOO-BFQNTYOBSA-N 0 0 416.877 2.052 20 0 HEADRN Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000744851944 1077621349 /nfs/dbraw/zinc/62/13/49/1077621349.db2.gz UJBUMMCUAWJGBU-HOCLYGCPSA-N 0 0 418.519 2.202 20 0 HEADRN Cc1cc(C)cc(N2CC[C@H](C(=O)OCC(=O)N=c3cc[nH]n3[C@@H](C)C3CC3)C2=O)c1 ZINC000744852751 1077621912 /nfs/dbraw/zinc/62/19/12/1077621912.db2.gz VQGFBMNNTOENOD-LPHOPBHVSA-N 0 0 424.501 2.428 20 0 HEADRN CC(C)(C)OC(=O)N1CCC(=O)[C@@H](OC(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000744855837 1077623935 /nfs/dbraw/zinc/62/39/35/1077623935.db2.gz BRRONYXCPXSABS-JSGCOSHPSA-N 0 0 408.417 2.382 20 0 HEADRN O=C(OCCN1C(=O)NC2(CCCC2)C1=O)C1(c2cccc(F)c2)CCOCC1 ZINC000744858461 1077625142 /nfs/dbraw/zinc/62/51/42/1077625142.db2.gz MNLCBSHRZKPHBE-UHFFFAOYSA-N 0 0 404.438 2.282 20 0 HEADRN COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)C2(c3cccc(F)c3)CCOCC2)CC1 ZINC000744858080 1077625175 /nfs/dbraw/zinc/62/51/75/1077625175.db2.gz IYIJEIMTIYQABF-OAHLLOKOSA-N 0 0 421.465 2.217 20 0 HEADRN Cc1cnc(COC(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)o1 ZINC000744860401 1077625759 /nfs/dbraw/zinc/62/57/59/1077625759.db2.gz CYPSMKJVHIPKIP-UHFFFAOYSA-N 0 0 418.475 2.109 20 0 HEADRN O=C(COC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)c1cnn(-c2ccccc2)c1 ZINC000744860880 1077626541 /nfs/dbraw/zinc/62/65/41/1077626541.db2.gz DYBDIASVUBBOJT-UHFFFAOYSA-N 0 0 418.409 2.070 20 0 HEADRN Cn1cc(N2CCC[C@H](OC(=O)c3cc4c(c(Br)c3)OCO4)C2=O)cn1 ZINC000744847917 1077632835 /nfs/dbraw/zinc/63/28/35/1077632835.db2.gz KLLOAQVHNZQVIL-ZDUSSCGKSA-N 0 0 422.235 2.264 20 0 HEADRN CCOC(=O)c1cnn(C)c1NC(=O)COC(=O)c1sc(C(C)(C)C)nc1C ZINC000744889807 1077634224 /nfs/dbraw/zinc/63/42/24/1077634224.db2.gz LMXMCVSJMBCGGT-UHFFFAOYSA-N 0 0 408.480 2.455 20 0 HEADRN COC(=O)c1ccsc1N1CC[C@@H](OC(=O)[C@@H](C)c2c(C)nn(C)c2C)C1=O ZINC000744891823 1077634246 /nfs/dbraw/zinc/63/42/46/1077634246.db2.gz HTKLXOMJCPOBOC-IINYFYTJSA-N 0 0 405.476 2.337 20 0 HEADRN Cc1cc(C(=O)COC(=O)c2c(F)ccc(S(N)(=O)=O)c2F)cc(C)c1F ZINC000744893297 1077635611 /nfs/dbraw/zinc/63/56/11/1077635611.db2.gz MJTNXTXUBMWXIX-UHFFFAOYSA-N 0 0 401.362 2.408 20 0 HEADRN C[C@H](OC(=O)C(C)(C)c1ccc2c(c1)OCCO2)C(=O)Nc1sccc1C(N)=O ZINC000744892952 1077635637 /nfs/dbraw/zinc/63/56/37/1077635637.db2.gz QRSQPFOGGGCTHR-NSHDSACASA-N 0 0 418.471 2.466 20 0 HEADRN CS(=O)(=O)Cc1noc(COC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000744893025 1077635710 /nfs/dbraw/zinc/63/57/10/1077635710.db2.gz SMZDWTOFXYBZJF-VXGBXAGGSA-N 0 0 415.265 2.224 20 0 HEADRN C[C@H](OC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F)C(N)=O ZINC000744894244 1077636269 /nfs/dbraw/zinc/63/62/69/1077636269.db2.gz FKNXYMFEVZBNSB-LURJTMIESA-N 0 0 407.146 2.079 20 0 HEADRN C[C@@H](OC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)C(=O)NCc1cccs1 ZINC000744895964 1077638412 /nfs/dbraw/zinc/63/84/12/1077638412.db2.gz YSEXXHVCWYBFGL-SECBINFHSA-N 0 0 422.406 2.298 20 0 HEADRN CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CCC[C@H]2c2ccncc2)CC1 ZINC000744896147 1077638705 /nfs/dbraw/zinc/63/87/05/1077638705.db2.gz MNLMGUMCMOGEOE-SFHVURJKSA-N 0 0 403.527 2.481 20 0 HEADRN CC(C)C(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000744896777 1077639054 /nfs/dbraw/zinc/63/90/54/1077639054.db2.gz ATUYUGFKXKHCRE-MAUKXSAKSA-N 0 0 415.490 2.331 20 0 HEADRN Cn1cccc1[C@H]1CCCN1C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000744896020 1077639081 /nfs/dbraw/zinc/63/90/81/1077639081.db2.gz BGLSSJAWENEKGX-GOSISDBHSA-N 0 0 405.543 2.424 20 0 HEADRN 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ZINC001129370369 1079915231 /nfs/dbraw/zinc/91/52/31/1079915231.db2.gz MXMKKITYKWWFRC-MLJJGGTESA-N 0 0 406.438 2.374 20 0 HEADRN COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)C1 ZINC001129370368 1079915295 /nfs/dbraw/zinc/91/52/95/1079915295.db2.gz MXMKKITYKWWFRC-LBQODKDLSA-N 0 0 406.438 2.374 20 0 HEADRN Cc1ncc(CCNC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)s1 ZINC000772530036 1079916029 /nfs/dbraw/zinc/91/60/29/1079916029.db2.gz ZXLLBPMNYSOWNE-UHFFFAOYSA-N 0 0 421.954 2.154 20 0 HEADRN CCOc1cc(NC2CCN(CN3C(=O)C[C@@](C)(c4ccccc4)C3=O)CC2)ncn1 ZINC000767522719 1079917897 /nfs/dbraw/zinc/91/78/97/1079917897.db2.gz IFWIGOMMSUFAGW-QHCPKHFHSA-N 0 0 423.517 2.426 20 0 HEADRN NS(=O)(=O)c1ccc(CCOC(=O)CCc2nc(-c3cccs3)no2)cc1 ZINC000767523073 1079917954 /nfs/dbraw/zinc/91/79/54/1079917954.db2.gz BHNXUFXYZJGLPP-UHFFFAOYSA-N 0 0 407.473 2.164 20 0 HEADRN COC(=O)c1ccc(C(=O)OCC(=O)N2CCN(Cc3cccs3)CC2)c(F)c1 ZINC000772533864 1079918447 /nfs/dbraw/zinc/91/84/47/1079918447.db2.gz YGPWVLCGJOBGEO-UHFFFAOYSA-N 0 0 420.462 2.175 20 0 HEADRN COc1ccc(CN2CCCN(Cn3nc(-c4cccs4)oc3=O)CC2=O)cc1 ZINC000767523672 1079918450 /nfs/dbraw/zinc/91/84/50/1079918450.db2.gz RATIFKGSJVIPBE-UHFFFAOYSA-N 0 0 414.487 2.265 20 0 HEADRN CCOc1cc(NC2CCN(CN3C(=O)NC4(CCCCCC4)C3=O)CC2)ncn1 ZINC000767524826 1079919085 /nfs/dbraw/zinc/91/90/85/1079919085.db2.gz QEHBUXQOGGPIBA-UHFFFAOYSA-N 0 0 416.526 2.354 20 0 HEADRN CCCc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)n(C)n1 ZINC000772535607 1079919371 /nfs/dbraw/zinc/91/93/71/1079919371.db2.gz OIYJHURAJPUYKK-UHFFFAOYSA-N 0 0 400.888 2.460 20 0 HEADRN CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)COc2ccc3c(c2)CCCC3)CC1 ZINC000767528257 1079920162 /nfs/dbraw/zinc/92/01/62/1079920162.db2.gz ORPDFTYIOIXQLH-MRXNPFEDSA-N 0 0 418.490 2.177 20 0 HEADRN C[C@H](OC(=O)COc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ncccn2)CC1 ZINC000767528215 1079920169 /nfs/dbraw/zinc/92/01/69/1079920169.db2.gz NQMPJGGMIVDGKJ-KRWDZBQOSA-N 0 0 424.501 2.015 20 0 HEADRN Cc1ncc(CCNC(=O)C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)s1 ZINC000772537435 1079921004 /nfs/dbraw/zinc/92/10/04/1079921004.db2.gz KEDTYBVKRQMLDT-UHFFFAOYSA-N 0 0 400.504 2.293 20 0 HEADRN CN(C)S(=O)(=O)c1ccc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)o1 ZINC000741777248 1079921343 /nfs/dbraw/zinc/92/13/43/1079921343.db2.gz GDCDBAQMKXZMTB-UHFFFAOYSA-N 0 0 407.492 2.086 20 0 HEADRN O=C(COC(=O)COc1ccc2c(c1)CCCC2)NC1CCC2(CC1)OCCO2 ZINC000767531340 1079922497 /nfs/dbraw/zinc/92/24/97/1079922497.db2.gz AEBAMIGPKHZGFD-UHFFFAOYSA-N 0 0 403.475 2.289 20 0 HEADRN CCOC(=O)C1=C(COC(=O)COc2ccc3c(c2)CCCC3)NC(=O)N[C@@H]1C ZINC000767531928 1079924762 /nfs/dbraw/zinc/92/47/62/1079924762.db2.gz DYOGLEGSXVCUGN-CYBMUJFWSA-N 0 0 402.447 2.006 20 0 HEADRN Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)c3ccc(OC(F)F)cn3)n12 ZINC000772542887 1079924986 /nfs/dbraw/zinc/92/49/86/1079924986.db2.gz ARBOFJIYIKOOQQ-UHFFFAOYSA-N 0 0 415.356 2.243 20 0 HEADRN O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000772541536 1079925138 /nfs/dbraw/zinc/92/51/38/1079925138.db2.gz LAOHCSQNDCAQQX-YZGWKJHDSA-N 0 0 408.479 2.452 20 0 HEADRN CO[C@H](C)c1cccc(NC(=O)C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c1 ZINC000772545105 1079926907 /nfs/dbraw/zinc/92/69/07/1079926907.db2.gz ZLQJQNKKZFARCZ-RDTXWAMCSA-N 0 0 400.479 2.038 20 0 HEADRN Cn1c(-c2cnccn2)nn(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c1=S ZINC000767504062 1079927252 /nfs/dbraw/zinc/92/72/52/1079927252.db2.gz GVJFMNSMSMWSKM-OAHLLOKOSA-N 0 0 402.446 2.391 20 0 HEADRN Cc1nc(CC(=O)OCC(=O)Nc2cc(-n3cnnn3)ccc2Cl)c(C)s1 ZINC000767556807 1079930716 /nfs/dbraw/zinc/93/07/16/1079930716.db2.gz WHGRSPUJTSFTJQ-UHFFFAOYSA-N 0 0 406.855 2.113 20 0 HEADRN Cn1ccnc1[C@@H](O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 ZINC000772573816 1079933093 /nfs/dbraw/zinc/93/30/93/1079933093.db2.gz SCSNDLSBJALIFL-KUHUBIRLSA-N 0 0 418.444 2.023 20 0 HEADRN Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2nc(N3CCCC3)ncc2Cl)CC1 ZINC000772574478 1079934622 /nfs/dbraw/zinc/93/46/22/1079934622.db2.gz KTSPQAPVWIWQSV-INIZCTEOSA-N 0 0 404.902 2.050 20 0 HEADRN CN1CCN(C(=O)Cc2cccc(NC(=O)C[C@H]3OC(=O)c4ccccc43)c2)CC1 ZINC000746547659 1079935889 /nfs/dbraw/zinc/93/58/89/1079935889.db2.gz ICTCYFVHLSMHRR-HXUWFJFHSA-N 0 0 407.470 2.243 20 0 HEADRN Cc1cc(=O)oc2cc(OCC(=O)N3CCC([C@H](O)c4nccn4C)CC3)ccc12 ZINC000772576930 1079935955 /nfs/dbraw/zinc/93/59/55/1079935955.db2.gz WUVZWRNNRCUQPE-NRFANRHFSA-N 0 0 411.458 2.186 20 0 HEADRN Cc1ccc(N2C[C@@H](C(=O)N3CCC([C@H](O)c4nccn4C)CC3)CC2=O)cc1F ZINC000772576802 1079936102 /nfs/dbraw/zinc/93/61/02/1079936102.db2.gz GHWOOJVHUIJOLR-JXFKEZNVSA-N 0 0 414.481 2.193 20 0 HEADRN CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)c(C(=O)OC)c3)cc2S1(=O)=O ZINC000746547505 1079937172 /nfs/dbraw/zinc/93/71/72/1079937172.db2.gz FIGPJSDXGXNSOQ-UHFFFAOYSA-N 0 0 402.428 2.198 20 0 HEADRN CCc1ccccc1N1C[C@@H](C(=O)OCCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000767537060 1079937724 /nfs/dbraw/zinc/93/77/24/1079937724.db2.gz KJHSUIAVVJNGGP-KRWDZBQOSA-N 0 0 416.499 2.035 20 0 HEADRN CCc1nc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)nn1-c1ccccc1F ZINC000772579222 1079938679 /nfs/dbraw/zinc/93/86/79/1079938679.db2.gz VHHITBCTLSLJQW-SFHVURJKSA-N 0 0 412.469 2.288 20 0 HEADRN O=C(COC(=O)CCCOc1ccc2c(c1)CCC2)NC(=O)NCc1ccco1 ZINC000767537563 1079938859 /nfs/dbraw/zinc/93/88/59/1079938859.db2.gz FLGXXSRPFBBEFW-UHFFFAOYSA-N 0 0 400.431 2.497 20 0 HEADRN O=C(Nc1cccc([C@@H]2CNC(=O)C2)c1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000772578828 1079939439 /nfs/dbraw/zinc/93/94/39/1079939439.db2.gz LHZMNVBKCDPURB-SXLOBPIMSA-N 0 0 423.469 2.001 20 0 HEADRN Cn1ccnc1[C@H](O)C1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000772580244 1079939538 /nfs/dbraw/zinc/93/95/38/1079939538.db2.gz WSWVDXOSBTWJTH-QGZVFWFLSA-N 0 0 400.870 2.240 20 0 HEADRN C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000767539957 1079943870 /nfs/dbraw/zinc/94/38/70/1079943870.db2.gz WPPALONWVHOHPR-ICSRJNTNSA-N 0 0 415.534 2.354 20 0 HEADRN Cc1nc(CCOC(=O)c2cc(S(N)(=O)=O)ccc2Br)cs1 ZINC000767540778 1079944952 /nfs/dbraw/zinc/94/49/52/1079944952.db2.gz ANISZTOKTPKEJG-UHFFFAOYSA-N 0 0 405.295 2.261 20 0 HEADRN CCCCN1C(=O)c2ccc(C(=O)N3CCC([C@@H](O)c4nccn4C)CC3)cc2C1=O ZINC000772586171 1079946460 /nfs/dbraw/zinc/94/64/60/1079946460.db2.gz DNCFLSHSKQCVIT-LJQANCHMSA-N 0 0 424.501 2.402 20 0 HEADRN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000772586167 1079946589 /nfs/dbraw/zinc/94/65/89/1079946589.db2.gz DHUDCYFONMRMJE-SJORKVTESA-N 0 0 404.536 2.208 20 0 HEADRN COC(=O)N1CCC([C@H](C)NC(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)CC1 ZINC000772587161 1079947582 /nfs/dbraw/zinc/94/75/82/1079947582.db2.gz GGFNBBIOTJFQPO-JYJNAYRXSA-N 0 0 404.511 2.292 20 0 HEADRN COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000772586926 1079948431 /nfs/dbraw/zinc/94/84/31/1079948431.db2.gz FKLKBSSZCBWGEB-ZYHUDNBSSA-N 0 0 400.273 2.075 20 0 HEADRN CCN(Cc1ccccc1)S(=O)(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000767544320 1079949150 /nfs/dbraw/zinc/94/91/50/1079949150.db2.gz BSIHCKJZWMBZMT-FQEVSTJZSA-N 0 0 416.503 2.115 20 0 HEADRN Cn1ccnc1[C@H](O)C1CCN(C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000772589195 1079949413 /nfs/dbraw/zinc/94/94/13/1079949413.db2.gz SLXDLZAHTACQBN-HXUWFJFHSA-N 0 0 412.534 2.420 20 0 HEADRN CCN(Cc1ccccc1)S(=O)(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000767544324 1079949363 /nfs/dbraw/zinc/94/93/63/1079949363.db2.gz BSIHCKJZWMBZMT-HXUWFJFHSA-N 0 0 416.503 2.115 20 0 HEADRN CCN(CCC1OCCO1)S(=O)(=O)c1ccc(I)cc1 ZINC000767542881 1079949375 /nfs/dbraw/zinc/94/93/75/1079949375.db2.gz JSTWGRLAUYUCGJ-UHFFFAOYSA-N 0 0 411.261 2.065 20 0 HEADRN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000767545150 1079950838 /nfs/dbraw/zinc/95/08/38/1079950838.db2.gz MACJSLZKKFKIJW-KDURUIRLSA-N 0 0 415.534 2.163 20 0 HEADRN Cc1nc(CCOC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cs1 ZINC000767544821 1079951755 /nfs/dbraw/zinc/95/17/55/1079951755.db2.gz BLUDWULVMXEIFB-CQSZACIVSA-N 0 0 413.521 2.243 20 0 HEADRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000772592016 1079952602 /nfs/dbraw/zinc/95/26/02/1079952602.db2.gz DPOXAFGIFYAMLV-KRWDZBQOSA-N 0 0 404.850 2.234 20 0 HEADRN C[C@@H](OC(=O)CCNS(=O)(=O)c1cccs1)C(=O)c1c[nH]c2ncccc12 ZINC000767544519 1079952596 /nfs/dbraw/zinc/95/25/96/1079952596.db2.gz ZILUUKZDMAVXHL-LLVKDONJSA-N 0 0 407.473 2.107 20 0 HEADRN O=C(C[C@H](O)c1cccc(F)c1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000772592664 1079953437 /nfs/dbraw/zinc/95/34/37/1079953437.db2.gz DMSPPOBBJHOBLK-IBGZPJMESA-N 0 0 424.469 2.358 20 0 HEADRN C[C@@H](OC(=O)CCC(=O)N1CCN(c2ccccc2)CC1)C(=O)NC1CCCCC1 ZINC000767547829 1079955390 /nfs/dbraw/zinc/95/53/90/1079955390.db2.gz YIHLOKFVWWHZJK-GOSISDBHSA-N 0 0 415.534 2.496 20 0 HEADRN COc1cc2c(cc1OC)CN(C(=O)CCC(=O)OCc1cn3cccnc3n1)CC2 ZINC000767547609 1079956032 /nfs/dbraw/zinc/95/60/32/1079956032.db2.gz PDLVCCRTIDQSRP-UHFFFAOYSA-N 0 0 424.457 2.155 20 0 HEADRN CCCCCn1nc(C)cc1NC(=O)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000772549101 1079956902 /nfs/dbraw/zinc/95/69/02/1079956902.db2.gz IXLWYNMFKCOCLS-GOSISDBHSA-N 0 0 416.526 2.026 20 0 HEADRN CCOC(=O)C1(O)CCN(C(=O)[C@@H](CC(C)C)NC(=O)OCc2ccccc2)CC1 ZINC000767549049 1079957061 /nfs/dbraw/zinc/95/70/61/1079957061.db2.gz JUHZLHVSONECSY-GOSISDBHSA-N 0 0 420.506 2.244 20 0 HEADRN COC(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c(F)c1 ZINC000772550023 1079957474 /nfs/dbraw/zinc/95/74/74/1079957474.db2.gz OMDMJSZTTMVDNA-JTQLQIEISA-N 0 0 401.346 2.371 20 0 HEADRN CCCc1cc(NC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)n(C)n1 ZINC000772551101 1079958239 /nfs/dbraw/zinc/95/82/39/1079958239.db2.gz MJBZKFHZTOAGMX-ZPHJMFTNSA-N 0 0 409.490 2.114 20 0 HEADRN CC1(C)CN=C(N2CCN(C(=O)N[C@H]3CC(=O)N(C4CCCCC4)C3)CC2)S1 ZINC000772551546 1079959347 /nfs/dbraw/zinc/95/93/47/1079959347.db2.gz UEFJBYGCGYWSIS-HNNXBMFYSA-N 0 0 407.584 2.129 20 0 HEADRN CCCOc1cc(C)ccc1NC(=O)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000772552014 1079959519 /nfs/dbraw/zinc/95/95/19/1079959519.db2.gz 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C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)OC[C@@H]1CNC(c2ccccc2)=NO1 ZINC000768807111 1080784855 /nfs/dbraw/zinc/78/48/55/1080784855.db2.gz GGPSQYUJXOVXGX-YOEHRIQHSA-N 0 0 420.462 2.129 20 0 HEADRN CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)OC[C@@H]1CNC(c2ccccc2)=NO1 ZINC000768806864 1080784954 /nfs/dbraw/zinc/78/49/54/1080784954.db2.gz UCQFLPCVVQRQER-VQTJNVASSA-N 0 0 424.501 2.404 20 0 HEADRN CC(C)n1ncc2cc(C=CC(=O)OC[C@@H]3CNC(c4ccccc4)=NO3)c(=O)[nH]c21 ZINC000768808211 1080785885 /nfs/dbraw/zinc/78/58/85/1080785885.db2.gz KRGKIEXUKODAOR-BLGFXRMMSA-N 0 0 421.457 2.212 20 0 HEADRN C[C@@H](OC(=O)CCc1nnc(C2CCCC2)o1)C(=O)Nc1sccc1C(N)=O ZINC000786758229 1080786060 /nfs/dbraw/zinc/78/60/60/1080786060.db2.gz KPSDATGXJUAXRC-SNVBAGLBSA-N 0 0 406.464 2.391 20 0 HEADRN COc1cc(C(=O)OCC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)cnc1Br ZINC000786737563 1080786603 /nfs/dbraw/zinc/78/66/03/1080786603.db2.gz MOEWCWDUBNZLCT-SNVBAGLBSA-N 0 0 423.267 2.238 20 0 HEADRN CN(C(=O)CSCC(=O)OC[C@@H]1CNC(c2ccccc2)=NO1)C1CCCCC1 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1080793560 /nfs/dbraw/zinc/79/35/60/1080793560.db2.gz PXGXTHPHZAQOSI-OAHLLOKOSA-N 0 0 407.467 2.147 20 0 HEADRN O=C(NCc1ccc(F)cc1C(F)(F)F)C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000786750973 1080794090 /nfs/dbraw/zinc/79/40/90/1080794090.db2.gz DLBVBXYDWKFTCF-LBPRGKRZSA-N 0 0 404.360 2.072 20 0 HEADRN O=C(OCc1ccc2c(c1)CCO2)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000768780389 1080794257 /nfs/dbraw/zinc/79/42/57/1080794257.db2.gz WQLOMONNWNEWRI-GOSISDBHSA-N 0 0 417.483 2.436 20 0 HEADRN CCNC(=O)c1ccc(OC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)cc1 ZINC000768782196 1080795051 /nfs/dbraw/zinc/79/50/51/1080795051.db2.gz LPSYOMSBUCZBNR-NRFANRHFSA-N 0 0 401.463 2.233 20 0 HEADRN CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000786754264 1080795322 /nfs/dbraw/zinc/79/53/22/1080795322.db2.gz VYEFQVWZRCHXQD-ZDUSSCGKSA-N 0 0 419.375 2.198 20 0 HEADRN CCNC(=O)COc1ccc(CN(C)Cc2cnn(-c3ccccc3)n2)cc1OC ZINC000768782021 1080795384 /nfs/dbraw/zinc/79/53/84/1080795384.db2.gz NYYUAIQVSZXLGW-UHFFFAOYSA-N 0 0 409.490 2.423 20 0 HEADRN C[C@@H](OC(=O)CCc1nnc(C2CCCC2)o1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000786754088 1080795658 /nfs/dbraw/zinc/79/56/58/1080795658.db2.gz UMQLXFYJWSREOR-GFCCVEGCSA-N 0 0 400.435 2.329 20 0 HEADRN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000786754350 1080795670 /nfs/dbraw/zinc/79/56/70/1080795670.db2.gz WPQRVPJJAUPVRP-UHFFFAOYSA-N 0 0 418.490 2.252 20 0 HEADRN O=C(Cn1ccnc1[C@H](O)c1ccc(F)cc1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000786756440 1080796496 /nfs/dbraw/zinc/79/64/96/1080796496.db2.gz IMMPXWJWFJGYRI-OAQYLSRUSA-N 0 0 422.460 2.313 20 0 HEADRN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCC(c3ccccc3)CC2)cc1 ZINC000786754644 1080796562 /nfs/dbraw/zinc/79/65/62/1080796562.db2.gz YTXQPCVQLVIWLP-UHFFFAOYSA-N 0 0 400.500 2.113 20 0 HEADRN Cn1c2nnc(Cn3ccnc3[C@H](O)c3ccc(F)cc3)n2c2ccccc2c1=O ZINC000786756535 1080796849 /nfs/dbraw/zinc/79/68/49/1080796849.db2.gz DVXZCASJOAGZOQ-GOSISDBHSA-N 0 0 404.405 2.047 20 0 HEADRN CS(=O)(=O)Nc1ccc(C(=O)COC(=O)CCc2nnc(C3CCCC3)o2)cc1 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416.425 2.174 20 0 HEADRN Cc1cc(CCC(=O)N2CCCC[C@@H]2CS(N)(=O)=O)ccc1Br ZINC000769586190 1081137960 /nfs/dbraw/zinc/13/79/60/1081137960.db2.gz ZMPAUMCDKCGGOV-CQSZACIVSA-N 0 0 403.342 2.360 20 0 HEADRN NS(=O)(=O)C[C@H]1CCCCN1C(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000769588037 1081139360 /nfs/dbraw/zinc/13/93/60/1081139360.db2.gz UGFARAXUJQWIKR-IAQYHMDHSA-N 0 0 420.318 2.156 20 0 HEADRN NS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000769590667 1081140765 /nfs/dbraw/zinc/14/07/65/1081140765.db2.gz XDECSGSKHBLMHG-SFHVURJKSA-N 0 0 407.536 2.489 20 0 HEADRN Cc1ccccc1[C@H](O)CNC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000769596388 1081141968 /nfs/dbraw/zinc/14/19/68/1081141968.db2.gz BSJANAZOEZUZLQ-GOSISDBHSA-N 0 0 406.429 2.404 20 0 HEADRN COC(=O)[C@H](NC(=O)C=CC(=O)Nc1ccc2n[nH]cc2c1)c1ccc2c(c1)CCO2 ZINC000769627124 1081143869 /nfs/dbraw/zinc/14/38/69/1081143869.db2.gz KKIJRSQNQCQKOT-IRUYWQDXSA-N 0 0 420.425 2.023 20 0 HEADRN COC(=O)[C@H](NC(=O)C=CC(=O)Nc1ccc2n[nH]cc2c1)c1ccc2c(c1)CCO2 ZINC000769627127 1081144483 /nfs/dbraw/zinc/14/44/83/1081144483.db2.gz KKIJRSQNQCQKOT-IZRJCCQOSA-N 0 0 420.425 2.023 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)Nc2ccc(CC(=O)OC)cc2)c(=O)[nH]c1=O ZINC000769627767 1081145517 /nfs/dbraw/zinc/14/55/17/1081145517.db2.gz YLJGOUZXFGMMJY-UHFFFAOYSA-N 0 0 423.491 2.046 20 0 HEADRN CCCn1c(Nc2nc(Cl)cc(Cl)c2C(N)=O)cc(=O)n(CCC)c1=O ZINC001170008034 1081148487 /nfs/dbraw/zinc/14/84/87/1081148487.db2.gz VERUUNVPHSWMFE-UHFFFAOYSA-N 0 0 400.266 2.374 20 0 HEADRN COC(=O)c1ccc(S(=O)(=O)Oc2ccc(C(=O)Nc3cccnc3)cc2)cn1 ZINC000769637860 1081157973 /nfs/dbraw/zinc/15/79/73/1081157973.db2.gz CRWSJKTZTVFOAW-UHFFFAOYSA-N 0 0 413.411 2.283 20 0 HEADRN Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N[C@H](C)CNC(=O)OC(C)(C)C ZINC000769641142 1081160607 /nfs/dbraw/zinc/16/06/07/1081160607.db2.gz NMRYRDZVRKDWIV-HMHNVIDESA-N 0 0 404.446 2.148 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)NCCc2cc(F)cc(F)c2)c(=O)[nH]c1=O ZINC000769644019 1081162480 /nfs/dbraw/zinc/16/24/80/1081162480.db2.gz ZIIUAHNPBDICAI-UHFFFAOYSA-N 0 0 415.462 2.328 20 0 HEADRN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N[C@H](CCO)c2ccccc2)cc1 ZINC000769605291 1081166444 /nfs/dbraw/zinc/16/64/44/1081166444.db2.gz IMABRQLJIDZMGC-GOSISDBHSA-N 0 0 406.429 2.485 20 0 HEADRN COc1cccc([C@H](O)C2CCN(C(=O)CCCN3C(=O)NC(C)(C)C3=O)CC2)c1 ZINC001170007644 1081166579 /nfs/dbraw/zinc/16/65/79/1081166579.db2.gz ATEQPADJYHJIQJ-LJQANCHMSA-N 0 0 417.506 2.078 20 0 HEADRN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000769607770 1081168371 /nfs/dbraw/zinc/16/83/71/1081168371.db2.gz UNAXFLJUJXLYFJ-HKUYNNGSSA-N 0 0 404.413 2.020 20 0 HEADRN COc1ccc(C(=O)NC(=O)COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1 ZINC000769608248 1081168859 /nfs/dbraw/zinc/16/88/59/1081168859.db2.gz MZRLUFHWMHKGNR-MRXNPFEDSA-N 0 0 422.478 2.434 20 0 HEADRN C[C@@H](NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)[C@H](O)Cc1ccccc1 ZINC000769608607 1081169555 /nfs/dbraw/zinc/16/95/55/1081169555.db2.gz WRZBFNAWAQTALR-DNVCBOLYSA-N 0 0 420.456 2.354 20 0 HEADRN CC(C)c1nnc([C@H](C)NC(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)[nH]1 ZINC000769611923 1081170926 /nfs/dbraw/zinc/17/09/26/1081170926.db2.gz TUILZYJFDOVADH-LBPRGKRZSA-N 0 0 409.437 2.364 20 0 HEADRN COc1cccc(/C=C(/C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)n2nnnc2C)c1 ZINC000769611727 1081171326 /nfs/dbraw/zinc/17/13/26/1081171326.db2.gz CNXMCIFHTOVMBX-STSGQGCESA-N 0 0 415.519 2.159 20 0 HEADRN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N[C@H](CO)c2ccc(F)cc2)cc1 ZINC000769615980 1081173190 /nfs/dbraw/zinc/17/31/90/1081173190.db2.gz KNIBWFZKSLVQTL-QGZVFWFLSA-N 0 0 410.392 2.234 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)Oc2cccc(NC(C)=O)c2)c(=O)[nH]c1=O ZINC000769620281 1081176019 /nfs/dbraw/zinc/17/60/19/1081176019.db2.gz NEKXAYWAJXOCAQ-UHFFFAOYSA-N 0 0 409.464 2.255 20 0 HEADRN CCCCNC(=O)CN1CCN(C(=O)c2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000769618761 1081176240 /nfs/dbraw/zinc/17/62/40/1081176240.db2.gz ZVWXCJACYMCWLK-UHFFFAOYSA-N 0 0 403.523 2.316 20 0 HEADRN COc1cc(F)c([C@@H](C)NC(=O)c2cnn3c2C[C@H](CNC(C)=O)CC3)cc1OC ZINC000567078174 568419648 /nfs/dbraw/zinc/41/96/48/568419648.db2.gz XYRKUBAIICCHBO-TZMCWYRMSA-N 0 0 418.469 2.229 20 0 HEADRN O=C([C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1)N1CCc2n[nH]c(=O)cc2C1 ZINC000328603293 569416865 /nfs/dbraw/zinc/41/68/65/569416865.db2.gz FKNIKWTUVMPEAD-MGPUTAFESA-N 0 0 409.421 2.170 20 0 HEADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)C2 ZINC001164431659 718978386 /nfs/dbraw/zinc/97/83/86/718978386.db2.gz AHOOAUUSEZRQPW-RFAUZJTJSA-N 0 0 401.801 2.051 20 0 HEADRN CCOC(=O)C1CCN(C2CCN(c3cc(S(=O)(=O)CC)ccn3)CC2)CC1 ZINC001164618621 719036203 /nfs/dbraw/zinc/03/62/03/719036203.db2.gz WDDRMLJGGVMXBM-UHFFFAOYSA-N 0 0 409.552 2.119 20 0 HEADRN C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000443499371 719233892 /nfs/dbraw/zinc/23/38/92/719233892.db2.gz JZXLOTAJSWFNNZ-JKSUJKDBSA-N 0 0 411.531 2.959 20 0 HEADRN COCCN1CCN(C)C2(CCN(C(F)(F)c3cccnc3Cl)CC2)C1=O ZINC001164640266 719268129 /nfs/dbraw/zinc/26/81/29/719268129.db2.gz SESJYFWQUWDHQS-UHFFFAOYSA-N 0 0 402.873 2.039 20 0 HEADRN COCCN1CCN(C)C2(CCN(c3ncnc4ccc(Cl)cc43)CC2)C1=O ZINC001164634711 719269785 /nfs/dbraw/zinc/26/97/85/719269785.db2.gz MDPLQBJEFBFELT-UHFFFAOYSA-N 0 0 403.914 2.043 20 0 HEADRN COCCN1CCN(C)C2(CCN(c3cc(Oc4ccccc4)ncn3)CC2)C1=O ZINC001164636794 719270373 /nfs/dbraw/zinc/27/03/73/719270373.db2.gz XFYQQXFRGQQCAL-UHFFFAOYSA-N 0 0 411.506 2.028 20 0 HEADRN COCCN1CCN(C)C2(CCN(c3cc4nc(Cl)cnc4cc3F)CC2)C1=O ZINC001164644539 719282633 /nfs/dbraw/zinc/28/26/33/719282633.db2.gz NNOKXXNGFCRAFZ-UHFFFAOYSA-N 0 0 421.904 2.182 20 0 HEADRN CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)C(=O)N(CCOC)CCN3C)n1 ZINC001164644142 719285397 /nfs/dbraw/zinc/28/53/97/719285397.db2.gz FIKBUJHAKLNXNN-MRXNPFEDSA-N 0 0 414.554 2.231 20 0 HEADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc(C(N)=O)c(Cl)n4)C[C@@H]3O2)n1 ZINC001164655737 719297595 /nfs/dbraw/zinc/29/75/95/719297595.db2.gz VLNVTKFVIDZSOG-USWWRNFRSA-N 0 0 413.812 2.427 20 0 HEADRN COc1nnc(Cl)cc1C(F)(F)N1C[C@@H](N2CCCC2=O)[C@@H]2OCCC[C@H]2C1 ZINC001164646789 719305870 /nfs/dbraw/zinc/30/58/70/719305870.db2.gz HIXFYUHRYJAVMS-NORZTCDRSA-N 0 0 416.856 2.290 20 0 HEADRN Cc1cc2c(c(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)n1)C(=O)NC2=O ZINC001164673992 719520946 /nfs/dbraw/zinc/52/09/46/719520946.db2.gz XKVXKNUKLGZYIN-UHFFFAOYSA-N 0 0 424.476 2.284 20 0 HEADRN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(C)nc(Cl)c1)CC2 ZINC001164679340 719548728 /nfs/dbraw/zinc/54/87/28/719548728.db2.gz YBWUPCAEYHSUCK-AWEZNQCLSA-N 0 0 403.857 2.479 20 0 HEADRN CNC(=O)CO[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(OC)c1)CC2 ZINC001164679393 719549201 /nfs/dbraw/zinc/54/92/01/719549201.db2.gz ZPPXLIUFMCAWRX-CYBMUJFWSA-N 0 0 419.856 2.179 20 0 HEADRN CNC(=O)CO[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)cc1C)CC2 ZINC001164677436 719551019 /nfs/dbraw/zinc/55/10/19/719551019.db2.gz MTYQOXSUKAHIKP-CYBMUJFWSA-N 0 0 403.857 2.479 20 0 HEADRN Fc1cccc2c(N3CCn4c(CN5CCOCC5)nnc4C3)cc(Cl)nc12 ZINC001164684896 719590479 /nfs/dbraw/zinc/59/04/79/719590479.db2.gz KTWMSCNHSKWXAG-UHFFFAOYSA-N 0 0 402.861 2.471 20 0 HEADRN CC[C@@H](C)c1nc(Cl)c(C)c(N2CCn3c(CN4CCOCC4)nnc3C2)n1 ZINC001164679705 719590485 /nfs/dbraw/zinc/59/04/85/719590485.db2.gz DZVZZZJGFLUZHS-CYBMUJFWSA-N 0 0 405.934 2.396 20 0 HEADRN F[C@H](Oc1ccnc(Cl)c1)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001164688254 719686014 /nfs/dbraw/zinc/68/60/14/719686014.db2.gz ZATZDDQUAVXBNB-SFHVURJKSA-N 0 0 404.833 2.491 20 0 HEADRN C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN([C@@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164683443 719690432 /nfs/dbraw/zinc/69/04/32/719690432.db2.gz FXLXWCXOHIIMBL-FZKQIMNGSA-N 0 0 423.876 2.387 20 0 HEADRN FC(F)(c1cnc(Cl)nc1Cl)N1C[C@@H]2OCCN(c3ncccn3)[C@H]2C1 ZINC001164694770 719793276 /nfs/dbraw/zinc/79/32/76/719793276.db2.gz GRTYGDSJEBBLGF-QWRGUYRKSA-N 0 0 403.220 2.212 20 0 HEADRN CSc1nc(Cl)cc(C(F)(F)N2C[C@H]3OCCN(c4ncccn4)[C@H]3C2)n1 ZINC001164694852 719794039 /nfs/dbraw/zinc/79/40/39/719794039.db2.gz IUFCCGSOZVTMFA-WDEREUQCSA-N 0 0 414.869 2.281 20 0 HEADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(SC)ncc1Cl ZINC001164703333 719844351 /nfs/dbraw/zinc/84/43/51/719844351.db2.gz QNXKJDJUDHKYSP-SJKOYZFVSA-N 0 0 400.932 2.085 20 0 HEADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)nc2c1COC2(C)C ZINC001164706492 719848280 /nfs/dbraw/zinc/84/82/80/719848280.db2.gz XMINDKFUWBAXHD-RBZFPXEDSA-N 0 0 424.929 2.128 20 0 HEADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)nc2c1CSC2 ZINC001164697203 719848282 /nfs/dbraw/zinc/84/82/82/719848282.db2.gz BPYBXNFMGAAPJF-XIKOKIGWSA-N 0 0 412.943 2.110 20 0 HEADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)nc2[nH]cc(C)c21 ZINC001164705245 719848556 /nfs/dbraw/zinc/84/85/56/719848556.db2.gz TXAAJMQMVFJAOP-ORAYPTAESA-N 0 0 407.902 2.152 20 0 HEADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncnc2cc(F)c(OC)cc21 ZINC001164705589 719861251 /nfs/dbraw/zinc/86/12/51/719861251.db2.gz UKXGVXUNXWKJHB-LHSJRXKWSA-N 0 0 418.469 2.010 20 0 HEADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ncc2c(n1)-c1ccccc1CC2 ZINC001164707416 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Cn1c2ccccc2n(CCC(=O)Nc2cn3cc(Br)ncc3n2)c1=O ZINC000771591728 1079418530 /nfs/dbraw/zinc/41/85/30/1079418530.db2.gz VFDDGYUQADABRE-UHFFFAOYSA-N 0 0 415.251 2.174 20 0 HEADRN CN(C)c1ccc(Br)c(S(=O)(=O)Oc2ccccc2CC(N)=O)c1 ZINC000766834644 1079418687 /nfs/dbraw/zinc/41/86/87/1079418687.db2.gz MSWHJPYFONXQID-UHFFFAOYSA-N 0 0 413.293 2.311 20 0 HEADRN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000771593159 1079418876 /nfs/dbraw/zinc/41/88/76/1079418876.db2.gz GRFYBTSDETYUSP-APPDUMDISA-N 0 0 422.890 2.336 20 0 HEADRN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC001169787518 1079419219 /nfs/dbraw/zinc/41/92/19/1079419219.db2.gz KDTNRSXBLXWBSC-LLVKDONJSA-N 0 0 405.499 2.205 20 0 HEADRN C[C@@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC000766834994 1079419612 /nfs/dbraw/zinc/41/96/12/1079419612.db2.gz PYVPJQWZBKDCGI-LLVKDONJSA-N 0 0 419.400 2.403 20 0 HEADRN O=S(=O)(N1CCC2(CC1)OCCO2)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000766835000 1079419773 /nfs/dbraw/zinc/41/97/73/1079419773.db2.gz SDMOPDWLWQNOJT-UHFFFAOYSA-N 0 0 407.319 2.435 20 0 HEADRN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)OCc2cc(Cl)ccn2)C1=O ZINC000771594193 1079419690 /nfs/dbraw/zinc/41/96/90/1079419690.db2.gz GWMGFXSMLVIOOU-IBGZPJMESA-N 0 0 403.822 2.254 20 0 HEADRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(cccc3OC)n2C)c1 ZINC000771647405 1079421323 /nfs/dbraw/zinc/42/13/23/1079421323.db2.gz NLQNRRBDWLPDBC-UHFFFAOYSA-N 0 0 408.867 2.396 20 0 HEADRN Cc1cccc(O[C@H]2CCCC[C@H]2NS(=O)(=O)N2CCC3(CC2)OCCO3)c1 ZINC000766836744 1079426025 /nfs/dbraw/zinc/42/60/25/1079426025.db2.gz SYNUXPRYCNBQPM-MOPGFXCFSA-N 0 0 410.536 2.358 20 0 HEADRN COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC000766823305 1079422331 /nfs/dbraw/zinc/42/23/31/1079422331.db2.gz IXMZVKGOPJARNG-HNNXBMFYSA-N 0 0 409.389 2.011 20 0 HEADRN COC(=O)C[C@]1(NC(=O)CSc2nccn2-c2cccc(OC)c2)CCCOC1 ZINC000771651098 1079423149 /nfs/dbraw/zinc/42/31/49/1079423149.db2.gz OMGLNNPNDNOGIC-HXUWFJFHSA-N 0 0 419.503 2.202 20 0 HEADRN CC[C@@H](NC(=O)Cc1noc(CS[C@H]2CCS(=O)(=O)C2)n1)c1ccccc1 ZINC000771652822 1079424562 /nfs/dbraw/zinc/42/45/62/1079424562.db2.gz ZWJXMZDYMOXNLK-LSDHHAIUSA-N 0 0 409.533 2.300 20 0 HEADRN CCOc1ccc(N2C[C@@H](C(=O)NCc3c(=O)[nH]nc(CC)c3CC)CC2=O)cc1 ZINC000771653908 1079425268 /nfs/dbraw/zinc/42/52/68/1079425268.db2.gz PESDJFNJVBHGGT-AWEZNQCLSA-N 0 0 412.490 2.375 20 0 HEADRN CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NC[C@H](C)CCO)c1 ZINC000771653991 1079425274 /nfs/dbraw/zinc/42/52/74/1079425274.db2.gz KOICRTICWFVFCJ-GFCCVEGCSA-N 0 0 421.357 2.228 20 0 HEADRN CC(C)c1nn(-c2ccccc2)cc1CNS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000766837719 1079428201 /nfs/dbraw/zinc/42/82/01/1079428201.db2.gz ORSUJDMWXXYHFN-UHFFFAOYSA-N 0 0 420.535 2.169 20 0 HEADRN COC(=O)C[C@@]1(NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)CCCOC1 ZINC000771657739 1079428667 /nfs/dbraw/zinc/42/86/67/1079428667.db2.gz VIPINBZHCYBBPX-NRFANRHFSA-N 0 0 405.447 2.039 20 0 HEADRN CCOC(=O)c1ccc(N2CCCN(C(=O)c3cc(C)nc4cc(C)nn43)CC2)nc1 ZINC000746509516 1079429155 /nfs/dbraw/zinc/42/91/55/1079429155.db2.gz JPLUHMOKXUHKTI-UHFFFAOYSA-N 0 0 422.489 2.270 20 0 HEADRN Cc1ccccc1[C@@H]1CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)CCN1 ZINC001169833119 1079429277 /nfs/dbraw/zinc/42/92/77/1079429277.db2.gz YYXPGEWBPUVPCP-IBGZPJMESA-N 0 0 402.539 2.021 20 0 HEADRN C[C@@H]1CN(C(=O)c2cccnc2SC(F)F)CCN1c1nccn2cnnc12 ZINC000771660201 1079429941 /nfs/dbraw/zinc/42/99/41/1079429941.db2.gz UFJOKBNHXUHHAU-LLVKDONJSA-N 0 0 405.434 2.185 20 0 HEADRN C[C@@H](C(=O)N1CCC[C@H](c2c[nH]c3ncccc23)C1)S(=O)(=O)C1CCOCC1 ZINC001169813084 1079430753 /nfs/dbraw/zinc/43/07/53/1079430753.db2.gz PJFTXQGXZFNDET-GJZGRUSLSA-N 0 0 405.520 2.251 20 0 HEADRN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C(=O)NCCOC)c1 ZINC000804339974 1079431361 /nfs/dbraw/zinc/43/13/61/1079431361.db2.gz HOOOAIHEHWEWFQ-VNOAQLAMSA-N 0 0 405.520 2.259 20 0 HEADRN O=c1[nH]c2ccc(S(=O)(=O)Oc3ccc(C4SCCS4)cc3)cc2[nH]c1=O ZINC000103414548 1079432045 /nfs/dbraw/zinc/43/20/45/1079432045.db2.gz SZVRNFOKSXOHGL-UHFFFAOYSA-N 0 0 422.509 2.463 20 0 HEADRN Cc1nn2cc(S(=O)(=O)NC[C@H](O)c3ccc(Cl)c(F)c3)cnc2c1Cl ZINC000766850826 1079437164 /nfs/dbraw/zinc/43/71/64/1079437164.db2.gz NUSOIGHYQATNRY-ZDUSSCGKSA-N 0 0 419.265 2.496 20 0 HEADRN Cc1cnc(N)c(S(=O)(=O)Oc2ccc(S(=O)(=O)NCCC(C)C)cc2)c1 ZINC000766850932 1079437180 /nfs/dbraw/zinc/43/71/80/1079437180.db2.gz UDPCHTKXUTUXAT-UHFFFAOYSA-N 0 0 413.521 2.064 20 0 HEADRN C[C@H](OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000766841739 1079432738 /nfs/dbraw/zinc/43/27/38/1079432738.db2.gz WKKZLSSLEOULKS-YOEHRIQHSA-N 0 0 422.437 2.328 20 0 HEADRN Nc1nsc(N2CCN(C(=O)Nc3ccc(N4CCSCC4)cc3)CC2)n1 ZINC000766845570 1079433813 /nfs/dbraw/zinc/43/38/13/1079433813.db2.gz RVGYUFVRILPVGC-UHFFFAOYSA-N 0 0 405.553 2.028 20 0 HEADRN CCSCCCc1noc(-c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)n1 ZINC000771665699 1079434846 /nfs/dbraw/zinc/43/48/46/1079434846.db2.gz CHOMRZIGJNMFJE-UHFFFAOYSA-N 0 0 411.505 2.213 20 0 HEADRN CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000766845077 1079435017 /nfs/dbraw/zinc/43/50/17/1079435017.db2.gz BIJBUSKDXIKVOE-UHFFFAOYSA-N 0 0 417.491 2.207 20 0 HEADRN Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N[C@@H](C)[C@H](O)c3ccc(F)cc3)c(C)c12 ZINC000771667215 1079435373 /nfs/dbraw/zinc/43/53/73/1079435373.db2.gz JOHMHBURMCRXGI-DJJJIMSYSA-N 0 0 400.454 2.188 20 0 HEADRN CCOCCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1 ZINC000766850083 1079435742 /nfs/dbraw/zinc/43/57/42/1079435742.db2.gz KYUMYXWVDSMZJX-YLJYHZDGSA-N 0 0 423.535 2.112 20 0 HEADRN CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C=C2CCSCC2)CC1 ZINC000771668311 1079436179 /nfs/dbraw/zinc/43/61/79/1079436179.db2.gz RKLSMPKUHGROOE-UHFFFAOYSA-N 0 0 400.488 2.255 20 0 HEADRN CC(=O)N1CCc2cc(S(=O)(=O)Oc3ccc4c(c3)CCCNC4=O)ccc21 ZINC000766851181 1079436483 /nfs/dbraw/zinc/43/64/83/1079436483.db2.gz BBIPZSIRFYWXQI-UHFFFAOYSA-N 0 0 400.456 2.039 20 0 HEADRN COc1ccc(C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)cc1S(=O)(=O)NC(C)C ZINC000771673752 1079436687 /nfs/dbraw/zinc/43/66/87/1079436687.db2.gz RLAPAEPEZKEOQE-ORAYPTAESA-N 0 0 424.494 2.373 20 0 HEADRN Cc1nn2cc(S(=O)(=O)NC[C@@H](O)c3ccc(Cl)c(F)c3)cnc2c1Cl ZINC000766850825 1079437810 /nfs/dbraw/zinc/43/78/10/1079437810.db2.gz NUSOIGHYQATNRY-CYBMUJFWSA-N 0 0 419.265 2.496 20 0 HEADRN C[C@@H](NC(=O)CCC(=O)N1CCN(c2ccccc2)CC1)[C@H](O)c1ccc(F)cc1 ZINC000771670960 1079438233 /nfs/dbraw/zinc/43/82/33/1079438233.db2.gz GWARXOBYUVMNMS-HXOBKFHXSA-N 0 0 413.493 2.493 20 0 HEADRN COC(=O)C(C)(C)[C@H]1CCCN(CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)C1 ZINC000771631226 1079439823 /nfs/dbraw/zinc/43/98/23/1079439823.db2.gz NQNGXCHKMYSBDO-LHSJRXKWSA-N 0 0 405.470 2.461 20 0 HEADRN Cn1cc([C@@H](O)C[C@H]2CCCN2S(=O)(=O)c2ccccc2Br)cn1 ZINC000766853106 1079440208 /nfs/dbraw/zinc/44/02/08/1079440208.db2.gz SSZYDMUNZCGZEZ-HIFRSBDPSA-N 0 0 414.325 2.459 20 0 HEADRN CC(C)(C)OC(=O)N1CCC(n2cccc2C(=O)N2CCn3ncnc3C2)CC1 ZINC000771633190 1079440755 /nfs/dbraw/zinc/44/07/55/1079440755.db2.gz XFBBXELSHUJFFG-UHFFFAOYSA-N 0 0 400.483 2.308 20 0 HEADRN CN1CC[C@H](c2nc(-c3ccc4ncc(I)n4c3)no2)CC1=O ZINC000771631828 1079440858 /nfs/dbraw/zinc/44/08/58/1079440858.db2.gz TXCFLTCPCOJKPA-VIFPVBQESA-N 0 0 423.214 2.325 20 0 HEADRN O=C(/C(=C/c1cccs1)n1nnnc1-c1ccccc1)N1CCn2ncnc2C1 ZINC000771633055 1079441179 /nfs/dbraw/zinc/44/11/79/1079441179.db2.gz MLAWEWNSEORLCV-WJDWOHSUSA-N 0 0 404.459 2.034 20 0 HEADRN Cn1cc([C@@H](O)C[C@@H]2CCCN2S(=O)(=O)c2ccccc2OC(F)F)cn1 ZINC000766855425 1079441295 /nfs/dbraw/zinc/44/12/95/1079441295.db2.gz ZIJURSDCVQPGQM-KBPBESRZSA-N 0 0 401.435 2.298 20 0 HEADRN Cn1cc([C@H](O)C[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)nc2Cl)cn1 ZINC000766854840 1079442128 /nfs/dbraw/zinc/44/21/28/1079442128.db2.gz XUWWGOOQABEMLX-NWDGAFQWSA-N 0 0 405.307 2.399 20 0 HEADRN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c2cccnc12 ZINC000766854848 1079442145 /nfs/dbraw/zinc/44/21/45/1079442145.db2.gz XWOITAMQUVCWDM-NVXWUHKLSA-N 0 0 416.503 2.254 20 0 HEADRN CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nc2c(s1)CCCC2 ZINC000771634878 1079442695 /nfs/dbraw/zinc/44/26/95/1079442695.db2.gz YYCCGQZNPIBSLN-OAHLLOKOSA-N 0 0 411.524 2.137 20 0 HEADRN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)[C@@H](O)c1ccc(F)cc1 ZINC000771672665 1079443123 /nfs/dbraw/zinc/44/31/23/1079443123.db2.gz JZCKEQFWGOJXKM-RIFZZMRRSA-N 0 0 420.506 2.465 20 0 HEADRN Cc1nn(C)c(C)c1[C@@H]1COCCN1CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O ZINC000771636059 1079443578 /nfs/dbraw/zinc/44/35/78/1079443578.db2.gz MTGLNLNEHBMEER-ZQIUZPCESA-N 0 0 403.527 2.114 20 0 HEADRN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000766859037 1079444154 /nfs/dbraw/zinc/44/41/54/1079444154.db2.gz RQNXDSORCGQVCX-KDOFPFPSSA-N 0 0 423.510 2.387 20 0 HEADRN CON(C)S(=O)(=O)c1ccc(C(=O)N(C[C@@H](O)c2ccc(F)cc2)C2CC2)cc1 ZINC000771636561 1079444512 /nfs/dbraw/zinc/44/45/12/1079444512.db2.gz GNMXWMPTRYXJPT-LJQANCHMSA-N 0 0 422.478 2.346 20 0 HEADRN COC(=O)N(C)Cc1nc(-c2cccn3c(I)cnc23)no1 ZINC000771636915 1079444721 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ZINC000742192413 1076781881 /nfs/dbraw/zinc/78/18/81/1076781881.db2.gz YYEPGYMGPMRPJR-WBVHZDCISA-N 0 0 400.548 2.237 20 0 HEADRN C[C@@H]1CN=C(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)CC2)S1 ZINC000742192325 1076781937 /nfs/dbraw/zinc/78/19/37/1076781937.db2.gz BELISYUROHLSEJ-NVXWUHKLSA-N 0 0 418.538 2.313 20 0 HEADRN Cc1nc(COc2ccccc2C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)no1 ZINC000742194116 1076783241 /nfs/dbraw/zinc/78/32/41/1076783241.db2.gz UUBQLMXREVKXKR-ZDUSSCGKSA-N 0 0 401.492 2.206 20 0 HEADRN CC(=O)N[C@H](CC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccc(C)cc1 ZINC000742199776 1076786283 /nfs/dbraw/zinc/78/62/83/1076786283.db2.gz BLDVIJXWSOWUBR-QGZVFWFLSA-N 0 0 413.440 2.479 20 0 HEADRN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@]1(O)CCCc2ccccc21 ZINC000742199331 1076787096 /nfs/dbraw/zinc/78/70/96/1076787096.db2.gz FPYUTCWXMMGKKW-RBBKRZOGSA-N 0 0 409.465 2.245 20 0 HEADRN O=C(CCCNC(=O)c1ccc(F)cc1)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000742200311 1076787984 /nfs/dbraw/zinc/78/79/84/1076787984.db2.gz JUZZZQOPWOJRIF-UHFFFAOYSA-N 0 0 417.403 2.253 20 0 HEADRN C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1(C)C)N1C(=O)NC2(CCCC2)C1=O ZINC000742202700 1076789109 /nfs/dbraw/zinc/78/91/09/1076789109.db2.gz AVUGGGWUFITNQB-AWEZNQCLSA-N 0 0 422.526 2.097 20 0 HEADRN CC[C@@H](C)[C@@](C)(O)CNC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000742201270 1076789144 /nfs/dbraw/zinc/78/91/44/1076789144.db2.gz NRTMNVUJIKXKPU-UZLBHIALSA-N 0 0 411.568 2.332 20 0 HEADRN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@]1(O)CCCc2ccccc21 ZINC000742202596 1076789523 /nfs/dbraw/zinc/78/95/23/1076789523.db2.gz YDPLQDJKCGKMQY-IFMALSPDSA-N 0 0 409.465 2.245 20 0 HEADRN CCNS(=O)(=O)c1ccc(F)c(C(=O)NC[C@]2(O)CCCc3ccccc32)c1 ZINC000742202621 1076789686 /nfs/dbraw/zinc/78/96/86/1076789686.db2.gz YNQGXQAJCOGKLO-HXUWFJFHSA-N 0 0 406.479 2.078 20 0 HEADRN CC[C@](C)(NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C(F)(F)F ZINC000742203841 1076790517 /nfs/dbraw/zinc/79/05/17/1076790517.db2.gz PDGVKVYLGCVBDR-DLBZAZTESA-N 0 0 401.385 2.309 20 0 HEADRN C[C@@H](c1ccc(Cl)cc1)N1CCN(Cn2nc(CCC(N)=O)n(C)c2=S)CC1 ZINC000742176920 1076792467 /nfs/dbraw/zinc/79/24/67/1076792467.db2.gz OQZYHRGALQYFFW-AWEZNQCLSA-N 0 0 422.986 2.359 20 0 HEADRN Cc1nc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)nn1-c1ccccc1C(C)C ZINC000742178259 1076794076 /nfs/dbraw/zinc/79/40/76/1076794076.db2.gz CQCLORIXLQEFCE-INIZCTEOSA-N 0 0 408.549 2.259 20 0 HEADRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCSC[C@H]1S(C)(=O)=O ZINC000742179095 1076794488 /nfs/dbraw/zinc/79/44/88/1076794488.db2.gz KFBQZEFVYMBBRU-MRXNPFEDSA-N 0 0 408.549 2.449 20 0 HEADRN CC(C)c1ccc(-n2cnnc2SCC(=O)NCCN2C(=S)N=NC2C)cc1 ZINC000742182731 1076798092 /nfs/dbraw/zinc/79/80/92/1076798092.db2.gz WRLPZHNZEDEVBG-UHFFFAOYSA-N 0 0 417.564 2.488 20 0 HEADRN COC(=O)CN1CCN(c2ccc(NC(=O)c3c(F)cccc3OC)cc2)CC1 ZINC000742251448 1076798499 /nfs/dbraw/zinc/79/84/99/1076798499.db2.gz AXYVLROJNGTXPU-UHFFFAOYSA-N 0 0 401.438 2.382 20 0 HEADRN CCOc1cc2c(cc1/C=C\C(=O)N[C@@H]1CCN(c3cc(C)nn3C)C1=O)O[C@@H](C)C2 ZINC000742223360 1076801392 /nfs/dbraw/zinc/80/13/92/1076801392.db2.gz CKNIHAYCYUCLLZ-ZNUVNQELSA-N 0 0 424.501 2.386 20 0 HEADRN CCCCS(=O)(=O)N1CCC(C(=O)Nc2cnc(Br)cn2)CC1 ZINC000742223177 1076801398 /nfs/dbraw/zinc/80/13/98/1076801398.db2.gz SJXCXHLVLXEKHJ-UHFFFAOYSA-N 0 0 405.318 2.020 20 0 HEADRN CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3cccc(C(=O)OC)c3)cc21 ZINC000742230878 1076802128 /nfs/dbraw/zinc/80/21/28/1076802128.db2.gz CDQKMHULGAGEFR-UHFFFAOYSA-N 0 0 403.460 2.366 20 0 HEADRN CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(N3CCCNC3=O)c2)c1 ZINC000742235990 1076802633 /nfs/dbraw/zinc/80/26/33/1076802633.db2.gz AGHSHZJOLQKSLD-UHFFFAOYSA-N 0 0 420.466 2.296 20 0 HEADRN O=C(c1ccc(SC(F)F)cc1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000742236116 1076803330 /nfs/dbraw/zinc/80/33/30/1076803330.db2.gz FWWUVNDSQYDLBH-UHFFFAOYSA-N 0 0 417.459 2.277 20 0 HEADRN COC(=O)[C@@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)c1ccccn1 ZINC000742237200 1076803487 /nfs/dbraw/zinc/80/34/87/1076803487.db2.gz VLYXDWRTKWXYMP-FQEVSTJZSA-N 0 0 410.426 2.468 20 0 HEADRN CCOC(=O)C=Cc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)cc1 ZINC000742242754 1076804518 /nfs/dbraw/zinc/80/45/18/1076804518.db2.gz IUPFHAHSPWRTQJ-RORWEDLISA-N 0 0 424.457 2.392 20 0 HEADRN CN(C)c1cccc(CNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)c1 ZINC000742248355 1076806103 /nfs/dbraw/zinc/80/61/03/1076806103.db2.gz WIKUQYVYMUNGKY-UHFFFAOYSA-N 0 0 418.450 2.179 20 0 HEADRN CN1C(=S)N=NC1[C@H]1CCCN(C(=O)C(C)(C)NC(=O)Nc2ccccc2)C1 ZINC000742250839 1076806434 /nfs/dbraw/zinc/80/64/34/1076806434.db2.gz LJJHTAMQJDJRRK-ZDUSSCGKSA-N 0 0 402.524 2.410 20 0 HEADRN CCc1nc(CNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)cs1 ZINC000742250447 1076806476 /nfs/dbraw/zinc/80/64/76/1076806476.db2.gz BEZPOTYKWPJPOH-UHFFFAOYSA-N 0 0 410.452 2.132 20 0 HEADRN Cc1ccsc1S(=O)(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000742269956 1076806789 /nfs/dbraw/zinc/80/67/89/1076806789.db2.gz RIWWBNOLJHEPCP-UHFFFAOYSA-N 0 0 409.533 2.152 20 0 HEADRN CCOC(=O)c1c(C)oc2ccc(OS(=O)(=O)c3cnn(CC(=O)OC)c3)cc21 ZINC000742273998 1076807591 /nfs/dbraw/zinc/80/75/91/1076807591.db2.gz NNNPDUQOJMFCOH-UHFFFAOYSA-N 0 0 422.415 2.055 20 0 HEADRN CCOC(=O)N1CCC(S(=O)(=O)NCc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000742272244 1076807603 /nfs/dbraw/zinc/80/76/03/1076807603.db2.gz VPXKXQPOSDDOSO-UHFFFAOYSA-N 0 0 422.450 2.337 20 0 HEADRN C[C@H](Cn1cccn1)NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742276487 1076808690 /nfs/dbraw/zinc/80/86/90/1076808690.db2.gz HNEVLTFSUDCISD-IEBWSBKVSA-N 0 0 420.535 2.240 20 0 HEADRN CCCC(=O)Nc1ccc(CNS(=O)(=O)C2CCN(C(=O)OCC)CC2)cc1 ZINC000742277964 1076808814 /nfs/dbraw/zinc/80/88/14/1076808814.db2.gz DWAGJGLGKCOMGH-UHFFFAOYSA-N 0 0 411.524 2.466 20 0 HEADRN CCOC(=O)N1CCC(S(=O)(=O)N[C@H](CC)c2ccc3c(c2)OCCO3)CC1 ZINC000742279036 1076809250 /nfs/dbraw/zinc/80/92/50/1076809250.db2.gz DQXRBDWUJFWCHS-MRXNPFEDSA-N 0 0 412.508 2.449 20 0 HEADRN COc1cc([C@@H](C)NS(=O)(=O)CCS(C)(=O)=O)ccc1OC1CCCC1 ZINC000742279668 1076809476 /nfs/dbraw/zinc/80/94/76/1076809476.db2.gz VHBWITDZXUROLI-CYBMUJFWSA-N 0 0 405.538 2.042 20 0 HEADRN CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1cn(CC(=O)C(C)(C)C)nn1)C1CC1 ZINC000742253291 1076810114 /nfs/dbraw/zinc/81/01/14/1076810114.db2.gz MVUXQYPOJOIHQY-HXUWFJFHSA-N 0 0 407.515 2.317 20 0 HEADRN COc1cccc(-c2noc(N3CCN(CC(=O)NCc4ccccc4)CC3)n2)c1 ZINC000742256622 1076810457 /nfs/dbraw/zinc/81/04/57/1076810457.db2.gz CKSRHTQWWVVZPZ-UHFFFAOYSA-N 0 0 407.474 2.184 20 0 HEADRN CCOc1ccc(NCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c(C(N)=O)c1 ZINC000742260014 1076810550 /nfs/dbraw/zinc/81/05/50/1076810550.db2.gz DSCXQKBBILPZGA-IBGZPJMESA-N 0 0 401.438 2.335 20 0 HEADRN C[C@@H]1CN(C(=O)CN[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CCO1 ZINC000742264084 1076810817 /nfs/dbraw/zinc/81/08/17/1076810817.db2.gz PBGLVPBXACKQGV-IIBYNOLFSA-N 0 0 402.516 2.016 20 0 HEADRN C[C@H]1CN(C(=O)CN[C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)CCO1 ZINC000742264082 1076810842 /nfs/dbraw/zinc/81/08/42/1076810842.db2.gz PBGLVPBXACKQGV-HRAATJIYSA-N 0 0 402.516 2.016 20 0 HEADRN COc1cc(OC)c(NC(=O)CNc2ccc(OC)c(-n3cnnn3)c2)cc1Cl ZINC000742262460 1076810866 /nfs/dbraw/zinc/81/08/66/1076810866.db2.gz SXFRZEGYWGGTPS-UHFFFAOYSA-N 0 0 418.841 2.392 20 0 HEADRN Cc1ccc([C@@H](NCC(=O)N2CCO[C@H](C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000742263992 1076810887 /nfs/dbraw/zinc/81/08/87/1076810887.db2.gz LXZFKCXDCUWJCQ-VGOFRKELSA-N 0 0 416.543 2.325 20 0 HEADRN O=C1C[C@@H](N2CCc3c(cccc3N3CCOC3=O)C2)C(=O)N1c1ccc(F)cc1 ZINC000742264483 1076811119 /nfs/dbraw/zinc/81/11/19/1076811119.db2.gz CSDAMHVAIKCBMU-LJQANCHMSA-N 0 0 409.417 2.473 20 0 HEADRN COC(=O)C[C@@H]1CN(S(=O)(=O)Cc2cccc(C(=O)OC)c2)c2ccccc21 ZINC000742302991 1076812258 /nfs/dbraw/zinc/81/22/58/1076812258.db2.gz UGGIXMADOFCYIN-MRXNPFEDSA-N 0 0 403.456 2.470 20 0 HEADRN COC(=O)C[C@@H]1CN(S(=O)(=O)Cc2ccc(C(=O)OC)cc2)c2ccccc21 ZINC000742303094 1076812306 /nfs/dbraw/zinc/81/23/06/1076812306.db2.gz YOOJTWZNWVOENN-MRXNPFEDSA-N 0 0 403.456 2.470 20 0 HEADRN C[C@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)c1cnn(C)c1 ZINC000742302682 1076812388 /nfs/dbraw/zinc/81/23/88/1076812388.db2.gz NZPCPNDSEUQPQE-MAUKXSAKSA-N 0 0 406.508 2.202 20 0 HEADRN Cn1cnc(S(=O)(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)c1Cl ZINC000742305897 1076813110 /nfs/dbraw/zinc/81/31/10/1076813110.db2.gz DGPCSRYKXYVVAA-UHFFFAOYSA-N 0 0 419.212 2.498 20 0 HEADRN COC[C@@H](NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O)C(C)C ZINC000742307147 1076813501 /nfs/dbraw/zinc/81/35/01/1076813501.db2.gz PBAHZIBHXSNSSK-CQSZACIVSA-N 0 0 419.341 2.307 20 0 HEADRN COC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)c2cnn(C)c2)c1 ZINC000742307135 1076813522 /nfs/dbraw/zinc/81/35/22/1076813522.db2.gz OIHKZJAJLMFTLD-UHFFFAOYSA-N 0 0 416.297 2.183 20 0 HEADRN COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000742306792 1076813684 /nfs/dbraw/zinc/81/36/84/1076813684.db2.gz WSDYHDQPEUDEQJ-KGLIPLIRSA-N 0 0 423.940 2.103 20 0 HEADRN CN(C)C(=O)Nc1cccc(CNS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000742307845 1076814018 /nfs/dbraw/zinc/81/40/18/1076814018.db2.gz YKJGGWJOEWRFIF-UHFFFAOYSA-N 0 0 401.444 2.365 20 0 HEADRN CCOC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@H]2CCCN(C)C2)c1 ZINC000742308312 1076814383 /nfs/dbraw/zinc/81/43/83/1076814383.db2.gz FUOUQBIJQMBNGK-ZDUSSCGKSA-N 0 0 419.341 2.341 20 0 HEADRN CCc1ccc(C(=O)N2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)cc1 ZINC000742281336 1076815146 /nfs/dbraw/zinc/81/51/46/1076815146.db2.gz OMYUVLGTINAQHA-UHFFFAOYSA-N 0 0 409.486 2.460 20 0 HEADRN CCOC(=O)N1CCC(S(=O)(=O)N(Cc2ccco2)C[C@H]2CCCO2)CC1 ZINC000742281337 1076815166 /nfs/dbraw/zinc/81/51/66/1076815166.db2.gz DIZFZPSWPDNABS-MRXNPFEDSA-N 0 0 400.497 2.211 20 0 HEADRN Nc1cc(CCCNC(=O)CNC(=O)OCc2ccccc2)nn1-c1ccccc1 ZINC000742282677 1076815263 /nfs/dbraw/zinc/81/52/63/1076815263.db2.gz AQHKJVABALPQTG-UHFFFAOYSA-N 0 0 407.474 2.430 20 0 HEADRN CN1CCC[C@@H](NS(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742282359 1076815484 /nfs/dbraw/zinc/81/54/84/1076815484.db2.gz FVYOOWUUEUYTCH-RBUKOAKNSA-N 0 0 409.552 2.049 20 0 HEADRN CCOC(=O)N1CCC(S(=O)(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC000742283358 1076815789 /nfs/dbraw/zinc/81/57/89/1076815789.db2.gz ZAWSZWNAMYRITA-UHFFFAOYSA-N 0 0 410.471 2.052 20 0 HEADRN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)c(F)c1Cl ZINC000742287163 1076816732 /nfs/dbraw/zinc/81/67/32/1076816732.db2.gz CBEFUDHLVLJDBW-SNVBAGLBSA-N 0 0 424.853 2.350 20 0 HEADRN CCOC(=O)N1CCC(S(=O)(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)CC1 ZINC000742287481 1076817088 /nfs/dbraw/zinc/81/70/88/1076817088.db2.gz HVDDWGSZPTUDMA-KRWDZBQOSA-N 0 0 413.540 2.265 20 0 HEADRN COc1ccccc1-n1cc(S(=O)(=O)NCCN(C)C(=O)OC(C)(C)C)cn1 ZINC000742289017 1076817265 /nfs/dbraw/zinc/81/72/65/1076817265.db2.gz QJCGEBMREZGVPQ-UHFFFAOYSA-N 0 0 410.496 2.026 20 0 HEADRN Cc1noc(CCCNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 ZINC000742289430 1076818017 /nfs/dbraw/zinc/81/80/17/1076818017.db2.gz APBGHYUKJQRVBQ-KRWDZBQOSA-N 0 0 422.507 2.031 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1c1ccncc1 ZINC000804262909 1076818323 /nfs/dbraw/zinc/81/83/23/1076818323.db2.gz CYKUMKXPQVZUDH-IRXDYDNUSA-N 0 0 402.495 2.261 20 0 HEADRN CCOC(=O)N1CCC(S(=O)(=O)N(Cc2cc[nH]n2)Cc2ccccc2)CC1 ZINC000742290892 1076818365 /nfs/dbraw/zinc/81/83/65/1076818365.db2.gz HIFAWAWSUOGTBK-UHFFFAOYSA-N 0 0 406.508 2.363 20 0 HEADRN CO[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742290918 1076818374 /nfs/dbraw/zinc/81/83/74/1076818374.db2.gz IBLXSZWCASJFHD-MOPGFXCFSA-N 0 0 410.536 2.476 20 0 HEADRN O=C(OCc1ccccc1)N1CCC[C@@H](CS(=O)(=O)NCCOCC2CC2)C1 ZINC000742292937 1076819163 /nfs/dbraw/zinc/81/91/63/1076819163.db2.gz CYSSXEWJRNSBNE-LJQANCHMSA-N 0 0 410.536 2.381 20 0 HEADRN CCOC(=O)N1CCC(S(=O)(=O)N[C@@](CC)(C(=O)OC)c2ccccc2)CC1 ZINC000742292510 1076819270 /nfs/dbraw/zinc/81/92/70/1076819270.db2.gz ZSCPFUSWUXAMIU-LJQANCHMSA-N 0 0 412.508 2.005 20 0 HEADRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)S(=O)(=O)CCS(C)(=O)=O)c1 ZINC000742293729 1076819633 /nfs/dbraw/zinc/81/96/33/1076819633.db2.gz RINLWKPIZOEPNR-UHFFFAOYSA-N 0 0 424.544 2.123 20 0 HEADRN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NS(=O)(=O)CCS(C)(=O)=O ZINC000742294145 1076820051 /nfs/dbraw/zinc/82/00/51/1076820051.db2.gz VUYORTVJWKUJHZ-NSHDSACASA-N 0 0 406.526 2.283 20 0 HEADRN CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2cnn(-c3ccccc3F)c2)C1 ZINC000742294670 1076820195 /nfs/dbraw/zinc/82/01/95/1076820195.db2.gz ZDODYGKFUZPTHK-CYBMUJFWSA-N 0 0 410.471 2.299 20 0 HEADRN COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC000742296967 1076820910 /nfs/dbraw/zinc/82/09/10/1076820910.db2.gz JBYJTZJDKNXKKI-LLVKDONJSA-N 0 0 404.510 2.213 20 0 HEADRN CC(C)C(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000742296594 1076821077 /nfs/dbraw/zinc/82/10/77/1076821077.db2.gz YGCLPWACPUESGV-CQSZACIVSA-N 0 0 406.426 2.309 20 0 HEADRN COC(=O)c1ccccc1CS(=O)(=O)N(C)CCCNC(=O)OC(C)(C)C ZINC000742299917 1076822207 /nfs/dbraw/zinc/82/22/07/1076822207.db2.gz WCMOUNQKDNVTEX-UHFFFAOYSA-N 0 0 400.497 2.150 20 0 HEADRN CC(=O)N(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)cc1 ZINC000742299704 1076822323 /nfs/dbraw/zinc/82/23/23/1076822323.db2.gz LZPHFEUCGVWPAL-UHFFFAOYSA-N 0 0 422.938 2.224 20 0 HEADRN CCc1cc(CNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)[nH]n1 ZINC000742299629 1076822358 /nfs/dbraw/zinc/82/23/58/1076822358.db2.gz PTQGQGBOCGRDBU-SFHVURJKSA-N 0 0 406.508 2.193 20 0 HEADRN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000742321270 1076823428 /nfs/dbraw/zinc/82/34/28/1076823428.db2.gz OIQGENMVTJNPGJ-LSDHHAIUSA-N 0 0 400.545 2.399 20 0 HEADRN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000742322037 1076823547 /nfs/dbraw/zinc/82/35/47/1076823547.db2.gz QFVQOETULHWUKL-ZDUSSCGKSA-N 0 0 408.973 2.238 20 0 HEADRN C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000742322279 1076823656 /nfs/dbraw/zinc/82/36/56/1076823656.db2.gz YFNRMEJVMKOSOP-LVQVYYBASA-N 0 0 405.561 2.014 20 0 HEADRN CCOC(=O)N1CCC(S(=O)(=O)NC[C@H](C)Oc2cccc(OC)c2)CC1 ZINC000742323146 1076823678 /nfs/dbraw/zinc/82/36/78/1076823678.db2.gz DLJSWCFQJUUPAG-AWEZNQCLSA-N 0 0 400.497 2.003 20 0 HEADRN CCOC(=O)[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)C1 ZINC000742323821 1076824110 /nfs/dbraw/zinc/82/41/10/1076824110.db2.gz LNHKSLZVERSOIN-ZWKOTPCHSA-N 0 0 409.552 2.073 20 0 HEADRN Cc1nonc1CNS(=O)(=O)c1ccc(Br)cc1Br ZINC000742325732 1076824352 /nfs/dbraw/zinc/82/43/52/1076824352.db2.gz RQBSTFPVWQSSKX-UHFFFAOYSA-N 0 0 411.075 2.382 20 0 HEADRN CN(c1ccc(Br)nc1)S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000742335560 1076825896 /nfs/dbraw/zinc/82/58/96/1076825896.db2.gz RZAJWYMRHWKVNR-UHFFFAOYSA-N 0 0 405.295 2.073 20 0 HEADRN CC(=O)Nc1ccc(OS(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)c(F)c1 ZINC000742337474 1076826144 /nfs/dbraw/zinc/82/61/44/1076826144.db2.gz GYBFEYMVZAZFGE-UHFFFAOYSA-N 0 0 401.437 2.264 20 0 HEADRN CCCOC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000742340119 1076826396 /nfs/dbraw/zinc/82/63/96/1076826396.db2.gz DORNTBTYGYZSBZ-GOSISDBHSA-N 0 0 410.536 2.129 20 0 HEADRN COc1ccc(S(=O)(=O)Oc2ccc(NC(C)=O)cc2F)cc1C(=O)N(C)C ZINC000742338582 1076826436 /nfs/dbraw/zinc/82/64/36/1076826436.db2.gz VKFZGGSNBUPEGZ-UHFFFAOYSA-N 0 0 410.423 2.262 20 0 HEADRN CC(=O)NCc1ccc(S(=O)(=O)N[C@H](Cc2nccn2C)c2ccccc2)cc1 ZINC000742340188 1076826570 /nfs/dbraw/zinc/82/65/70/1076826570.db2.gz ANCMHIWQBAWCQN-HXUWFJFHSA-N 0 0 412.515 2.319 20 0 HEADRN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)CNC(=O)OCc3ccccc3)C2)nc1 ZINC000742341175 1076826576 /nfs/dbraw/zinc/82/65/76/1076826576.db2.gz NSUDFSQWCBQSBB-SFHVURJKSA-N 0 0 410.474 2.494 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000742310590 1076826988 /nfs/dbraw/zinc/82/69/88/1076826988.db2.gz YETXRVHOWNFJGJ-VBKZILBWSA-N 0 0 402.451 2.079 20 0 HEADRN CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000742311959 1076827285 /nfs/dbraw/zinc/82/72/85/1076827285.db2.gz DDQFPYMYLWLCOJ-IAQYHMDHSA-N 0 0 411.455 2.185 20 0 HEADRN O=S(=O)(/C=C\c1ccccc1Br)N1CC[C@H](CN2CCOCC2)C1 ZINC000742316407 1076828663 /nfs/dbraw/zinc/82/86/63/1076828663.db2.gz IRRBVTPZQKCPMO-NYXMJBRJSA-N 0 0 415.353 2.404 20 0 HEADRN COC(=O)c1ccc(Br)c(S(=O)(=O)NCc2ncc(C)s2)c1 ZINC000742318136 1076828676 /nfs/dbraw/zinc/82/86/76/1076828676.db2.gz GEKFVYDXSQNATA-UHFFFAOYSA-N 0 0 405.295 2.479 20 0 HEADRN C[C@@H](CCc1cccn1C)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000742319978 1076828973 /nfs/dbraw/zinc/82/89/73/1076828973.db2.gz LUQSKIYKCGQLDE-INIZCTEOSA-N 0 0 405.520 2.287 20 0 HEADRN COC(=O)c1cccc(CS(=O)(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)c1 ZINC000742321067 1076829131 /nfs/dbraw/zinc/82/91/31/1076829131.db2.gz JBIIBHGZPKVZKA-LJQANCHMSA-N 0 0 416.499 2.397 20 0 HEADRN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(N)=NO[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000742354209 1076829425 /nfs/dbraw/zinc/82/94/25/1076829425.db2.gz JLXUAMORZDOVCJ-CABCVRRESA-N 0 0 422.530 2.353 20 0 HEADRN CC(C)N(CC(F)(F)F)C(=O)CON=C(N)c1cccc(CN2CCOCC2)c1 ZINC000742357188 1076829821 /nfs/dbraw/zinc/82/98/21/1076829821.db2.gz QUYGEFGDFSZLCR-UHFFFAOYSA-N 0 0 416.444 2.165 20 0 HEADRN COc1ccc(CC(=O)NOCC(=O)N(Cc2ccc(C)o2)C2CC2)cc1OC 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CCc1ccc(N2CCN(S(=O)(=O)c3ccc(CNC(C)=O)cc3)CC2)cc1 ZINC000742348004 1076832319 /nfs/dbraw/zinc/83/23/19/1076832319.db2.gz POIZSBLQHAROQU-UHFFFAOYSA-N 0 0 401.532 2.396 20 0 HEADRN COc1cccc(N2C(=O)C(=Cc3ccccc3OCC(=O)N(C)C)NC2=S)c1 ZINC000742348912 1076832652 /nfs/dbraw/zinc/83/26/52/1076832652.db2.gz FLFFQKHCCNQYNS-BOPFTXTBSA-N 0 0 411.483 2.424 20 0 HEADRN COc1ccccc1-c1noc([C@H](C)NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)n1 ZINC000742347468 1076832663 /nfs/dbraw/zinc/83/26/63/1076832663.db2.gz PFSWUCMTIFDTIP-NSHDSACASA-N 0 0 415.427 2.455 20 0 HEADRN C[C@H]1C[C@H](NCc2ccccc2I)C(=O)N1c1cnn(C)c1 ZINC000742391051 1076833338 /nfs/dbraw/zinc/83/33/38/1076833338.db2.gz BKCQGEKEZUAZQQ-NHYWBVRUSA-N 0 0 410.259 2.308 20 0 HEADRN C[C@@H]1C[C@H](NCc2ccccc2I)C(=O)N1c1cnn(C)c1 ZINC000742391049 1076833367 /nfs/dbraw/zinc/83/33/67/1076833367.db2.gz BKCQGEKEZUAZQQ-ABAIWWIYSA-N 0 0 410.259 2.308 20 0 HEADRN CCOC(=O)N1CCC(NC(=O)CCCNc2ncccc2-c2nc(C)no2)CC1 ZINC000742392134 1076833510 /nfs/dbraw/zinc/83/35/10/1076833510.db2.gz FWVFXGRBEKNGGP-UHFFFAOYSA-N 0 0 416.482 2.369 20 0 HEADRN Cc1noc(-c2ccc(N3CCN(CC(=O)N4CCc5ccccc54)CC3)nc2)n1 ZINC000742393007 1076833564 /nfs/dbraw/zinc/83/35/64/1076833564.db2.gz BUSDPNHLLBJNKA-UHFFFAOYSA-N 0 0 404.474 2.151 20 0 HEADRN O=S1(=O)N=C(N2CCN(c3cncc(Br)c3)CC2)c2ccccc21 ZINC000742393471 1076833738 /nfs/dbraw/zinc/83/37/38/1076833738.db2.gz NEXZFCAQLRWDHA-UHFFFAOYSA-N 0 0 407.293 2.115 20 0 HEADRN COc1ccc(C(=O)N2CCN(c3ccc(-c4nc(C)no4)cn3)CC2)c(OC)c1 ZINC000742395849 1076833857 /nfs/dbraw/zinc/83/38/57/1076833857.db2.gz BXMHKTPOZWMLFW-UHFFFAOYSA-N 0 0 409.446 2.420 20 0 HEADRN O=c1[nH]c(N2CCO[C@H](c3noc(C4CC4)n3)C2)nc2c1cnn2-c1ccccc1 ZINC000742398971 1076834391 /nfs/dbraw/zinc/83/43/91/1076834391.db2.gz LVYWEODCTMMZFM-HNNXBMFYSA-N 0 0 405.418 2.359 20 0 HEADRN Cc1ccc(-n2ncc(NCCOCCS(C)(=O)=O)c(Cl)c2=O)cc1Cl ZINC000742412958 1076835909 /nfs/dbraw/zinc/83/59/09/1076835909.db2.gz XMMHLQJHINCLBC-UHFFFAOYSA-N 0 0 420.318 2.321 20 0 HEADRN Cc1ccc(N2CC[C@H](Nc3ccc(S(C)(=O)=O)cc3S(C)(=O)=O)C2=O)cc1 ZINC000742412872 1076835956 /nfs/dbraw/zinc/83/59/56/1076835956.db2.gz JBJBRAWOBYCWOD-KRWDZBQOSA-N 0 0 422.528 2.019 20 0 HEADRN C[C@H]1CN(c2ccc(S(=O)(=O)NCC3CC3)cn2)CCN1C(=O)OC(C)(C)C ZINC000742415031 1076836114 /nfs/dbraw/zinc/83/61/14/1076836114.db2.gz MJGGHXMHAKLDAV-AWEZNQCLSA-N 0 0 410.540 2.216 20 0 HEADRN Cc1cc(N2CC[C@@H](Sc3nnc(-c4ccc(Cl)cc4)n3N)C2=O)n(C)n1 ZINC000742445395 1076838623 /nfs/dbraw/zinc/83/86/23/1076838623.db2.gz SVJMNTOGBNHCCI-CYBMUJFWSA-N 0 0 403.899 2.252 20 0 HEADRN Nn1c(SCCOC[C@@H]2CCCO2)nnc1-c1cncc(Br)c1 ZINC000742453827 1076839212 /nfs/dbraw/zinc/83/92/12/1076839212.db2.gz KOYNAMKRJHJZBD-LBPRGKRZSA-N 0 0 400.302 2.104 20 0 HEADRN Nn1c(SCC(=O)Nc2ncc(Cl)cc2Cl)nnc1C1CCOCC1 ZINC000742457991 1076840096 /nfs/dbraw/zinc/84/00/96/1076840096.db2.gz XCASRPRPEPBVKM-UHFFFAOYSA-N 0 0 403.295 2.319 20 0 HEADRN Nn1c(SCC(=O)Nc2ccc(N3CCCCC3)nc2)nnc1C1CCOCC1 ZINC000742458815 1076840484 /nfs/dbraw/zinc/84/04/84/1076840484.db2.gz OMGGYEMCAGRIIJ-UHFFFAOYSA-N 0 0 417.539 2.002 20 0 HEADRN C[C@H](Sc1nnc(C2CCOCC2)n1N)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000742458681 1076840646 /nfs/dbraw/zinc/84/06/46/1076840646.db2.gz NOZKIZKRZGAAOC-PGBBXINNSA-N 0 0 405.568 2.452 20 0 HEADRN Nn1c(SCC(=O)Nc2ccnn2CC2CCCCC2)nnc1C1CCOCC1 ZINC000742458451 1076840957 /nfs/dbraw/zinc/84/09/57/1076840957.db2.gz IZZGNSCJHXAJAL-UHFFFAOYSA-N 0 0 419.555 2.394 20 0 HEADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCCNC(=O)OC(C)(C)C ZINC000742461186 1076841288 /nfs/dbraw/zinc/84/12/88/1076841288.db2.gz MXXJHJMBAHINEE-MRXNPFEDSA-N 0 0 405.495 2.331 20 0 HEADRN COCCc1nnc(S[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)n1N ZINC000742459477 1076841304 /nfs/dbraw/zinc/84/13/04/1076841304.db2.gz GFIWFEPUESLCOY-CYBMUJFWSA-N 0 0 413.450 2.070 20 0 HEADRN CC(C)(C)OC(=O)NCCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000742467487 1076842309 /nfs/dbraw/zinc/84/23/09/1076842309.db2.gz CZVSFLVSKQVOPF-UHFFFAOYSA-N 0 0 411.524 2.116 20 0 HEADRN CC(C)(C)OC(=O)NCCNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000742467536 1076842313 /nfs/dbraw/zinc/84/23/13/1076842313.db2.gz HYSFTSGALOWZKB-UHFFFAOYSA-N 0 0 414.300 2.210 20 0 HEADRN CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000742468176 1076842340 /nfs/dbraw/zinc/84/23/40/1076842340.db2.gz CTWLOUIRMVZETO-SFHVURJKSA-N 0 0 411.506 2.434 20 0 HEADRN CC(=O)NC[C@@H]1CCCN(C(=O)/C=C/c2ccc(I)o2)C1 ZINC000742493716 1076844666 /nfs/dbraw/zinc/84/46/66/1076844666.db2.gz DXXFIQAQFPQTFW-PZBABLGHSA-N 0 0 402.232 2.272 20 0 HEADRN O=C(CNC(=O)c1cc2ccccc2[nH]1)Nn1cnc2sc3c(c2c1=O)CCCC3 ZINC000742495216 1076844887 /nfs/dbraw/zinc/84/48/87/1076844887.db2.gz ANMUUHDWIFICOX-UHFFFAOYSA-N 0 0 421.482 2.318 20 0 HEADRN CON(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000742495404 1076845056 /nfs/dbraw/zinc/84/50/56/1076845056.db2.gz OVCVFGULYYILPC-UHFFFAOYSA-N 0 0 417.487 2.398 20 0 HEADRN N=C1NC(=O)C(CC(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)S1 ZINC000742505963 1076845998 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409.290 2.218 20 0 HEADRN CC[C@H](C[C@@H](C)CO)NC(=O)c1ccc2ncc(I)n2c1 ZINC000768879560 1080829031 /nfs/dbraw/zinc/82/90/31/1080829031.db2.gz GIGYJLDAQPXPRL-ZYHUDNBSSA-N 0 0 401.248 2.466 20 0 HEADRN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Oc1cccc(-n2cnnn2)c1 ZINC000786837777 1080830368 /nfs/dbraw/zinc/83/03/68/1080830368.db2.gz WGAUFKYTIBVQMX-GFCCVEGCSA-N 0 0 424.866 2.497 20 0 HEADRN NC(=O)CCNC(=O)c1cccc(NS(=O)(=O)/C=C/c2cccc(Cl)c2)c1 ZINC000768883409 1080831137 /nfs/dbraw/zinc/83/11/37/1080831137.db2.gz XOEHYOWJOYHSOQ-CSKARUKUSA-N 0 0 407.879 2.358 20 0 HEADRN CC[C@@H](C[C@@H](C)CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000768882918 1080831204 /nfs/dbraw/zinc/83/12/04/1080831204.db2.gz WIHPJJDNSZXAIL-YPMHNXCESA-N 0 0 421.357 2.226 20 0 HEADRN COC(=O)C1CCN(C(=O)[C@H](OC(=O)C[C@@H]2c3ccccc3NC2=O)C(C)C)CC1 ZINC000746610563 1080831431 /nfs/dbraw/zinc/83/14/31/1080831431.db2.gz PJQSLTMWLDTHNR-VQIMIIECSA-N 0 0 416.474 2.092 20 0 HEADRN Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3C[C@@H](CO)OC[C@@H]3C)cc2)c1 ZINC000768884599 1080831670 /nfs/dbraw/zinc/83/16/70/1080831670.db2.gz PPMGYWJXRWDCGZ-LPHOPBHVSA-N 0 0 419.499 2.293 20 0 HEADRN CC[C@@H]1CCCCN1C(=O)COC(=O)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000786798285 1080832455 /nfs/dbraw/zinc/83/24/55/1080832455.db2.gz SRNKABAJMVGPQZ-GOSISDBHSA-N 0 0 404.507 2.396 20 0 HEADRN NC(=O)c1sccc1NC(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000768885934 1080832682 /nfs/dbraw/zinc/83/26/82/1080832682.db2.gz KZMHBVOMOUEDEH-AWEZNQCLSA-N 0 0 401.488 2.493 20 0 HEADRN COc1cc2c(cc1OC)CN(CC(=O)OCC(=O)N1[C@H](C)CCC[C@H]1C)CC2 ZINC000786798936 1080832735 /nfs/dbraw/zinc/83/27/35/1080832735.db2.gz ZMBYXOCZBUMGLJ-HZPDHXFCSA-N 0 0 404.507 2.395 20 0 HEADRN Cc1nnnn1-c1cc(NC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)ccc1F ZINC000768887126 1080833451 /nfs/dbraw/zinc/83/34/51/1080833451.db2.gz ASSBEDIMSHGUPG-UHFFFAOYSA-N 0 0 407.450 2.440 20 0 HEADRN CCN(CC(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1)c1ccccc1 ZINC000768888511 1080833515 /nfs/dbraw/zinc/83/35/15/1080833515.db2.gz HHSLXLCOXWYHHT-UHFFFAOYSA-N 0 0 410.518 2.304 20 0 HEADRN Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)cnn1-c1ccc(=O)[nH]n1 ZINC000746611153 1080833461 /nfs/dbraw/zinc/83/34/61/1080833461.db2.gz FPCQKGYIYZWACY-UHFFFAOYSA-N 0 0 416.482 2.148 20 0 HEADRN O=C(C[C@@H]1C(=O)Nc2ccccc21)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000746611122 1080833527 /nfs/dbraw/zinc/83/35/27/1080833527.db2.gz TXEVLOIPTXYIJM-SFHVURJKSA-N 0 0 411.433 2.144 20 0 HEADRN CC1(C)CC[C@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 ZINC000768887909 1080834010 /nfs/dbraw/zinc/83/40/10/1080834010.db2.gz HQDVZIFZTFCDPC-LSDHHAIUSA-N 0 0 406.504 2.319 20 0 HEADRN Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000786803468 1080835003 /nfs/dbraw/zinc/83/50/03/1080835003.db2.gz FQZTYTYRUUUFGO-JKSUJKDBSA-N 0 0 419.526 2.271 20 0 HEADRN COc1cc2c(cc1OC)CN(CC(=O)O[C@H](C)C(=O)NCc1cccs1)CC2 ZINC000786801834 1080835035 /nfs/dbraw/zinc/83/50/35/1080835035.db2.gz 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Cc1ccc(-n2nccc2NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)nn1 ZINC000768898017 1080838379 /nfs/dbraw/zinc/83/83/79/1080838379.db2.gz SLHGIKMTMRVOOC-UHFFFAOYSA-N 0 0 407.402 2.148 20 0 HEADRN COc1cc2c(cc1OC)CN(CC(=O)O[C@@H](C)C(=O)N1CCCCCC1)CC2 ZINC000786811500 1080838531 /nfs/dbraw/zinc/83/85/31/1080838531.db2.gz PQTKLBPXERDGHW-INIZCTEOSA-N 0 0 404.507 2.396 20 0 HEADRN C[C@H](CCc1ccc(O)cc1)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000768898761 1080838899 /nfs/dbraw/zinc/83/88/99/1080838899.db2.gz IQPBXSWRAAPMQM-IQMFZBJNSA-N 0 0 407.470 2.223 20 0 HEADRN COc1cc(CNC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)ccn1 ZINC000786812193 1080839471 /nfs/dbraw/zinc/83/94/71/1080839471.db2.gz LSEQCFXXTOZAJB-AWEZNQCLSA-N 0 0 401.467 2.468 20 0 HEADRN O=C1N[C@@]2(CCCCc3ccccc32)C(=O)N1CN1CCOC2(CCOCC2)CC1 ZINC000768905438 1080841877 /nfs/dbraw/zinc/84/18/77/1080841877.db2.gz MPWWDTVSDRCTCP-HSZRJFAPSA-N 0 0 413.518 2.389 20 0 HEADRN CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000786816680 1080842567 /nfs/dbraw/zinc/84/25/67/1080842567.db2.gz RTNURHKDKGQVMO-CHWSQXEVSA-N 0 0 417.553 2.208 20 0 HEADRN COc1cc(OC)cc(OS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)c1 ZINC000746610245 1080842930 /nfs/dbraw/zinc/84/29/30/1080842930.db2.gz ALSNPQPNBGZTQN-UHFFFAOYSA-N 0 0 405.432 2.179 20 0 HEADRN CN(CCNC(=O)C(=O)NCc1ccccc1Br)C(=O)OC(C)(C)C ZINC000786817827 1080842985 /nfs/dbraw/zinc/84/29/85/1080842985.db2.gz RFWHSMFEMAVUKN-UHFFFAOYSA-N 0 0 414.300 2.048 20 0 HEADRN O=C(COC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)NCc1cc(F)cc(F)c1 ZINC000786819712 1080844332 /nfs/dbraw/zinc/84/43/32/1080844332.db2.gz LOIRBDXHGUMYLR-OAHLLOKOSA-N 0 0 423.460 2.488 20 0 HEADRN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000768944737 1080845512 /nfs/dbraw/zinc/84/55/12/1080845512.db2.gz ZMOUFQUKCZTDKS-AEFFLSMTSA-N 0 0 418.538 2.433 20 0 HEADRN CC(C)Oc1cccc(CNC(=O)C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c1 ZINC000786823607 1080845732 /nfs/dbraw/zinc/84/57/32/1080845732.db2.gz MFINAMFGBVKRDA-SFHVURJKSA-N 0 0 403.523 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1076463205 /nfs/dbraw/zinc/46/32/05/1076463205.db2.gz PXAJHIVZYMSHFG-GOSISDBHSA-N 0 0 411.520 2.143 20 0 HEADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3cnn(C)c3)c2)C1 ZINC000741309574 1076463826 /nfs/dbraw/zinc/46/38/26/1076463826.db2.gz FNDQBCYCJGGANX-GASCZTMLSA-N 0 0 419.503 2.126 20 0 HEADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2cnn(C)c2)c1 ZINC000741309209 1076463894 /nfs/dbraw/zinc/46/38/94/1076463894.db2.gz BLEPVIGHXSYMHE-UHFFFAOYSA-N 0 0 413.883 2.144 20 0 HEADRN Cn1cc(C(=O)COC(=O)C(=Cc2ccco2)n2nnnc2-c2ccccc2)cn1 ZINC000741311536 1076464274 /nfs/dbraw/zinc/46/42/74/1076464274.db2.gz PEZSRIGHBDUSDD-YVLHZVERSA-N 0 0 404.386 2.091 20 0 HEADRN COc1ccc(Br)c(C(=O)N[C@@H](CCSC)C(=O)N(C)OC)c1 ZINC000766267349 1076465187 /nfs/dbraw/zinc/46/51/87/1076465187.db2.gz HIQXBBFQTKCFFJ-ZDUSSCGKSA-N 0 0 405.314 2.329 20 0 HEADRN Cn1cc(C(=O)COC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cn1 ZINC000741312214 1076465264 /nfs/dbraw/zinc/46/52/64/1076465264.db2.gz MVAQSCXMEWKWPV-UHFFFAOYSA-N 0 0 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CCN1CCN(c2ccc(C(=O)OCC(=O)N(C)CC(F)(F)F)cc2F)CC1 ZINC000741344232 1076488123 /nfs/dbraw/zinc/48/81/23/1076488123.db2.gz FVIXTVDQXIQYQS-UHFFFAOYSA-N 0 0 405.392 2.145 20 0 HEADRN O=C(COC(=O)c1ccccc1Cn1cccn1)N1CCN(Cc2cccs2)CC1 ZINC000741345577 1076489504 /nfs/dbraw/zinc/48/95/04/1076489504.db2.gz GBGZSMYFXZNLNJ-UHFFFAOYSA-N 0 0 424.526 2.494 20 0 HEADRN CCS(=O)(=O)NCCOC(=O)c1ccccc1OCc1cn2cc(C)ccc2n1 ZINC000741345341 1076489519 /nfs/dbraw/zinc/48/95/19/1076489519.db2.gz XJTCJKZUUVRFEG-UHFFFAOYSA-N 0 0 417.487 2.318 20 0 HEADRN CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Cn2cccn2)cc1 ZINC000741347545 1076490729 /nfs/dbraw/zinc/49/07/29/1076490729.db2.gz SMUXCWFIPFVLEP-UHFFFAOYSA-N 0 0 406.442 2.429 20 0 HEADRN CNC(=O)[C@H](NC(=O)COC(=O)[C@@H]1CCCCN1Cc1ccccc1)c1ccccc1 ZINC000741350994 1076491571 /nfs/dbraw/zinc/49/15/71/1076491571.db2.gz JRGBUBIIFHPCOM-RBBKRZOGSA-N 0 0 423.513 2.188 20 0 HEADRN O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)OCCn1cnc2ccccc2c1=O ZINC000741350431 1076492030 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1080514337 /nfs/dbraw/zinc/51/43/37/1080514337.db2.gz RGYAXAVGJPLAJS-QAPCUYQASA-N 0 0 411.380 2.164 20 0 HEADRN CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)NC[C@]1(C)CCO[C@H]1C1CC1 ZINC000768366092 1080514965 /nfs/dbraw/zinc/51/49/65/1080514965.db2.gz LOBIGQZBKQEYEJ-JXFKEZNVSA-N 0 0 407.898 2.302 20 0 HEADRN COC(=O)c1cc(C(=O)OCc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)ccn1 ZINC000786241585 1080516045 /nfs/dbraw/zinc/51/60/45/1080516045.db2.gz CMWAKNMQJSSOGI-UHFFFAOYSA-N 0 0 416.411 2.284 20 0 HEADRN Cc1ccc(N2CCC[C@H](NC(=O)Cc3ccccc3S(C)(=O)=O)C2=O)cc1 ZINC000786241396 1080516951 /nfs/dbraw/zinc/51/69/51/1080516951.db2.gz XLZFDETZNSNCTF-SFHVURJKSA-N 0 0 400.500 2.253 20 0 HEADRN C[C@@]1(CNC(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CCO[C@H]1C1CC1 ZINC000768367706 1080517051 /nfs/dbraw/zinc/51/70/51/1080517051.db2.gz OSKYKBAJCLRKNR-REWPJTCUSA-N 0 0 409.486 2.157 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2c(C)c3ccccc3oc2=O)n1 ZINC000786242228 1080517394 /nfs/dbraw/zinc/51/73/94/1080517394.db2.gz 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C[C@@H](OC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)NCC(=O)c1ccccc1 ZINC000786277533 1080524652 /nfs/dbraw/zinc/52/46/52/1080524652.db2.gz NAMCURPCOOILDR-GFCCVEGCSA-N 0 0 423.874 2.288 20 0 HEADRN CCCc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)o1 ZINC000768400439 1080525166 /nfs/dbraw/zinc/52/51/66/1080525166.db2.gz FHUOMTWMZRSFHQ-UHFFFAOYSA-N 0 0 423.520 2.224 20 0 HEADRN CCCc1nnc(SCC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)o1 ZINC000768400416 1080525202 /nfs/dbraw/zinc/52/52/02/1080525202.db2.gz DTEFLODHMGKCJN-SFHVURJKSA-N 0 0 403.464 2.003 20 0 HEADRN COCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000786306166 1080525434 /nfs/dbraw/zinc/52/54/34/1080525434.db2.gz JLBZGAGMEIIXMM-INIZCTEOSA-N 0 0 405.495 2.330 20 0 HEADRN COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)CNc1ccc(C(N)=O)cc1 ZINC000786278602 1080525910 /nfs/dbraw/zinc/52/59/10/1080525910.db2.gz KTBSUIDBRWYZGG-LLVKDONJSA-N 0 0 405.838 2.430 20 0 HEADRN Cc1cc(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)c(C)cc1Br ZINC000768402861 1080526469 /nfs/dbraw/zinc/52/64/69/1080526469.db2.gz QODYJCVRURWMLW-UHFFFAOYSA-N 0 0 417.369 2.305 20 0 HEADRN C[C@@H](OC(=O)c1nc(N2CCCC2)ncc1Cl)C(=O)NCC(=O)c1ccccc1 ZINC000786280884 1080526420 /nfs/dbraw/zinc/52/64/20/1080526420.db2.gz CHRKHCVFGCOHBB-CYBMUJFWSA-N 0 0 416.865 2.275 20 0 HEADRN Cc1ccc([C@H]2COCCN2C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC000768406849 1080528290 /nfs/dbraw/zinc/52/82/90/1080528290.db2.gz KCFCBEVOMZFFDM-QAPCUYQASA-N 0 0 423.510 2.153 20 0 HEADRN COc1cc(OC)cc(N2CC[C@H](NC(=O)c3ccc(F)c(S(C)(=O)=O)c3)C2)c1 ZINC000786285068 1080529551 /nfs/dbraw/zinc/52/95/51/1080529551.db2.gz CFOHPGXLAFPRDT-AWEZNQCLSA-N 0 0 422.478 2.255 20 0 HEADRN Cc1ccc([C@H](O)CSc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000743254956 1080529761 /nfs/dbraw/zinc/52/97/61/1080529761.db2.gz VQFITZMXSAWMRJ-CQSZACIVSA-N 0 0 414.531 2.459 20 0 HEADRN Cn1cc(-c2ccccc2CNC(=O)N(CCO)CCNC(=O)OC(C)(C)C)cn1 ZINC000768409260 1080529901 /nfs/dbraw/zinc/52/99/01/1080529901.db2.gz GYPYDEMYDLDAOA-UHFFFAOYSA-N 0 0 417.510 2.116 20 0 HEADRN O=C(Nc1cccc(C(F)(F)F)n1)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000786286022 1080530191 /nfs/dbraw/zinc/53/01/91/1080530191.db2.gz IKLJSUCAVZLFFO-UHFFFAOYSA-N 0 0 420.391 2.414 20 0 HEADRN CCn1c(SCCC(=O)Nc2sccc2C(N)=O)nnc1-c1cnccn1 ZINC000768410433 1080530279 /nfs/dbraw/zinc/53/02/79/1080530279.db2.gz BDQLYIZHLPQFDJ-UHFFFAOYSA-N 0 0 403.493 2.036 20 0 HEADRN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)O[C@@H](C)C(=O)NCC(=O)c1ccccc1 ZINC000786285442 1080530857 /nfs/dbraw/zinc/53/08/57/1080530857.db2.gz FDRURQDHOIIQEM-CVEARBPZSA-N 0 0 406.438 2.432 20 0 HEADRN Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc4[nH]c(=S)[nH]c4c3)cc(C3CC3)nc21 ZINC000768412681 1080530891 /nfs/dbraw/zinc/53/08/91/1080530891.db2.gz JFNMDAYXKTYCAB-UHFFFAOYSA-N 0 0 408.443 2.329 20 0 HEADRN COc1cc(CNC(=O)N(CCO)CCNC(=O)OC(C)(C)C)c2ccccc2n1 ZINC000768376072 1080531565 /nfs/dbraw/zinc/53/15/65/1080531565.db2.gz JPESYUVLNMRSEH-UHFFFAOYSA-N 0 0 418.494 2.272 20 0 HEADRN CS(=O)(=O)c1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)ccc1Br ZINC000768376423 1080532688 /nfs/dbraw/zinc/53/26/88/1080532688.db2.gz HFNZMDIXWCTCPA-STQMWFEESA-N 0 0 420.350 2.199 20 0 HEADRN CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)Nc1cc(N2CCNC2=O)ccc1C ZINC000786288506 1080533652 /nfs/dbraw/zinc/53/36/52/1080533652.db2.gz JFAAYHFAKVEJST-CVEARBPZSA-N 0 0 404.467 2.099 20 0 HEADRN CC(C)(C)OC(=O)N(CC(=O)N1CCS[C@@H]2COCC[C@@H]21)C[C@@H]1CCCO1 ZINC000768378321 1080534080 /nfs/dbraw/zinc/53/40/80/1080534080.db2.gz VWHROEBGGDXJDX-HRCADAONSA-N 0 0 400.541 2.135 20 0 HEADRN CN(C)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)c(C(N)=O)c1 ZINC000768379986 1080534208 /nfs/dbraw/zinc/53/42/08/1080534208.db2.gz VEBNAQPGOATMRV-UHFFFAOYSA-N 0 0 408.458 2.338 20 0 HEADRN Cc1cccc(C)c1OC[C@H](O)CNC(=O)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000786289584 1080534643 /nfs/dbraw/zinc/53/46/43/1080534643.db2.gz HNUGMFMJAQWWHU-CYBMUJFWSA-N 0 0 411.380 2.212 20 0 HEADRN C[C@@H](OC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)C(=O)NCC(=O)c1ccccc1 ZINC000786289804 1080534735 /nfs/dbraw/zinc/53/47/35/1080534735.db2.gz JGXNJNDGXZVGPY-PBHICJAKSA-N 0 0 418.515 2.009 20 0 HEADRN NC(=O)c1ccc(N2CCN(Cc3ccccc3I)CC2)nc1 ZINC000768382768 1080535270 /nfs/dbraw/zinc/53/52/70/1080535270.db2.gz UKKXRWIHFJAUBI-UHFFFAOYSA-N 0 0 422.270 2.107 20 0 HEADRN Cc1ccc(C)n1-c1c(C(=O)O[C@H](C)C(=O)NCC(=O)c2ccccc2)cnn1C ZINC000786290117 1080535332 /nfs/dbraw/zinc/53/53/32/1080535332.db2.gz QZYIQRSHDAGFCF-MRXNPFEDSA-N 0 0 408.458 2.372 20 0 HEADRN CC(C)N1C(=O)c2ccc(C(=O)Nc3cccc(-n4ccnn4)c3)cc2S1(=O)=O ZINC000768383105 1080535467 /nfs/dbraw/zinc/53/54/67/1080535467.db2.gz RKYZAFSXDILJOX-UHFFFAOYSA-N 0 0 411.443 2.073 20 0 HEADRN CC(C)[C@@H](OC(=O)CNc1ccc(C(N)=O)cc1)C(=O)NCc1ccccc1F ZINC000786290277 1080536327 /nfs/dbraw/zinc/53/63/27/1080536327.db2.gz TVILWWIOAHKNIY-LJQANCHMSA-N 0 0 401.438 2.221 20 0 HEADRN CCOC(=O)COc1ccc(CCNC(=O)N[C@H]2CCCC3(C2)OCCO3)cc1 ZINC000768385919 1080536518 /nfs/dbraw/zinc/53/65/18/1080536518.db2.gz VPQCZWUHFKFTAZ-KRWDZBQOSA-N 0 0 406.479 2.156 20 0 HEADRN CC(=O)[C@@H](Cc1cccc(Cl)c1F)OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000768393559 1080539560 /nfs/dbraw/zinc/53/95/60/1080539560.db2.gz FQJWVFZRXVOCEU-KUHUBIRLSA-N 0 0 410.829 2.243 20 0 HEADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1n[nH]c2ccc(F)cc21 ZINC000768393794 1080539705 /nfs/dbraw/zinc/53/97/05/1080539705.db2.gz WMJOOYCYARIHSA-HNNXBMFYSA-N 0 0 407.446 2.306 20 0 HEADRN CC(C)(C)OC(=O)N1CCc2n[nH]c(C(=O)NC[C@H](O)c3ccc(F)cc3)c2C1 ZINC000768396322 1080541953 /nfs/dbraw/zinc/54/19/53/1080541953.db2.gz VELAFCLVVAVXDZ-INIZCTEOSA-N 0 0 404.442 2.305 20 0 HEADRN Cc1cc(-n2cc(COC(=O)[C@@H](C)N3C(=O)NC4(CCCC4)C3=O)nn2)ccc1F ZINC000786298845 1080542534 /nfs/dbraw/zinc/54/25/34/1080542534.db2.gz KJGVDVJYUCAEIW-CYBMUJFWSA-N 0 0 415.425 2.011 20 0 HEADRN O=C(CCC(=O)N1CCN(c2ncccn2)CC1)OC[C@@H]1CCC2(CCCCC2)O1 ZINC000786299203 1080543427 /nfs/dbraw/zinc/54/34/27/1080543427.db2.gz FOAUREBWXOWIHY-SFHVURJKSA-N 0 0 416.522 2.331 20 0 HEADRN C[C@@H](CNC(=O)C(=O)NCc1ccc(OCC(F)(F)F)cc1)CC1(C)OCCO1 ZINC000786299853 1080543577 /nfs/dbraw/zinc/54/35/77/1080543577.db2.gz FAOSXARSTHLCKF-CYBMUJFWSA-N 0 0 418.412 2.149 20 0 HEADRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)O[C@@H](C)C(=O)NCC(=O)c2ccccc2)cc1 ZINC000786300965 1080543928 /nfs/dbraw/zinc/54/39/28/1080543928.db2.gz XDCJDQAFMGVPGH-PXNSSMCTSA-N 0 0 422.481 2.417 20 0 HEADRN C[C@@H](OC(=O)Cc1ccn(-c2ccc(F)cc2)n1)C(=O)NCC(=O)c1ccccc1 ZINC000786302078 1080544850 /nfs/dbraw/zinc/54/48/50/1080544850.db2.gz GDNXCNOKIWFKTR-OAHLLOKOSA-N 0 0 409.417 2.485 20 0 HEADRN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C(F)(F)F)n2)C1 ZINC000786306128 1080545002 /nfs/dbraw/zinc/54/50/02/1080545002.db2.gz IPXXGZORBTVJQK-SNVBAGLBSA-N 0 0 402.373 2.165 20 0 HEADRN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2cnn(C)c2)C1=O ZINC000768423857 1080545362 /nfs/dbraw/zinc/54/53/62/1080545362.db2.gz NKSVQRIIPDCNTD-IVZQSRNASA-N 0 0 409.490 2.014 20 0 HEADRN CN1CCN(C(=O)c2cc(Cc3ccccc3)n[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000786303100 1080545670 /nfs/dbraw/zinc/54/56/70/1080545670.db2.gz ZZFZGRYJNZCXOI-SFHVURJKSA-N 0 0 413.522 2.281 20 0 HEADRN COCc1nnc(-c2cccc(C(=O)O[C@H](C)C(=O)NCC(=O)c3ccccc3)c2)o1 ZINC000786304260 1080546648 /nfs/dbraw/zinc/54/66/48/1080546648.db2.gz SKASNKVRPPILRS-CQSZACIVSA-N 0 0 423.425 2.427 20 0 HEADRN Nn1c(SCc2nc(-c3ccc(F)c(F)c3)no2)nnc1-c1n[nH]c2c1CCC2 ZINC000768425718 1080547023 /nfs/dbraw/zinc/54/70/23/1080547023.db2.gz AWLBVFRWRPGNKR-UHFFFAOYSA-N 0 0 416.417 2.491 20 0 HEADRN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OC[C@@H]1CCC2(CCCCC2)O1 ZINC000786304185 1080547037 /nfs/dbraw/zinc/54/70/37/1080547037.db2.gz VTGZIRPTRJHHEJ-HOCLYGCPSA-N 0 0 413.540 2.129 20 0 HEADRN Cn1cc([C@]2(C)NC(=O)N(CC(=O)Nc3ccccc3Cc3ccccc3)C2=O)cn1 ZINC000768426081 1080547141 /nfs/dbraw/zinc/54/71/41/1080547141.db2.gz YWJMLJNPCRSGGT-QHCPKHFHSA-N 0 0 417.469 2.417 20 0 HEADRN CCOc1ccc(COC(=O)C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)nc1 ZINC000786305514 1080547399 /nfs/dbraw/zinc/54/73/99/1080547399.db2.gz GDWOFPVRKMWXID-UHFFFAOYSA-N 0 0 423.491 2.420 20 0 HEADRN C[C@@H](NC(=O)[C@H](C)Sc1nnc(-c2n[nH]c3c2CCC3)n1N)c1ccc(F)cc1 ZINC000768427171 1080547909 /nfs/dbraw/zinc/54/79/09/1080547909.db2.gz NEGULCDEKOIQGT-MNOVXSKESA-N 0 0 415.498 2.368 20 0 HEADRN COC(=O)c1cc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)ccn1 ZINC000786265002 1080548329 /nfs/dbraw/zinc/54/83/29/1080548329.db2.gz KFFUSFGGNPXCMW-QWHCGFSZSA-N 0 0 416.430 2.308 20 0 HEADRN COC(=O)CCc1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000786266925 1080549123 /nfs/dbraw/zinc/54/91/23/1080549123.db2.gz IFGOIXZNDFWOCC-QGZVFWFLSA-N 0 0 404.850 2.234 20 0 HEADRN Cn1cc([C@]2(C)NC(=O)N(CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)C2=O)cn1 ZINC000768427718 1080549267 /nfs/dbraw/zinc/54/92/67/1080549267.db2.gz ZAXUEFKOSSGABI-NRFANRHFSA-N 0 0 415.469 2.154 20 0 HEADRN O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)N1CCC(O)(c2ccccc2)CC1 ZINC000768429093 1080549550 /nfs/dbraw/zinc/54/95/50/1080549550.db2.gz PRQRUPNPLRTYTL-FQEVSTJZSA-N 0 0 408.502 2.266 20 0 HEADRN C[C@@H](Sc1nnc(-c2n[nH]c3c2CCC3)n1N)C(=O)Nc1cc(F)ccc1F ZINC000768429019 1080550365 /nfs/dbraw/zinc/55/03/65/1080550365.db2.gz SFPKKSZLJFNTIO-MRVPVSSYSA-N 0 0 405.434 2.268 20 0 HEADRN Cc1sc2[nH]c(CSc3nnc(-c4n[nH]c5c4CCC5)n3N)nc(=O)c2c1C ZINC000768429615 1080550746 /nfs/dbraw/zinc/55/07/46/1080550746.db2.gz WSUGKYZSCFJEHB-UHFFFAOYSA-N 0 0 414.520 2.490 20 0 HEADRN Cc1nonc1CNC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000768431269 1080551614 /nfs/dbraw/zinc/55/16/14/1080551614.db2.gz PWCNYJDOIGGHGM-CQSZACIVSA-N 0 0 422.283 2.444 20 0 HEADRN Cc1ccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1N1CCNC1=O ZINC000786340384 1080551780 /nfs/dbraw/zinc/55/17/80/1080551780.db2.gz MZAWSMOMDWYZHB-MJGOQNOKSA-N 0 0 412.494 2.378 20 0 HEADRN CC(=O)N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000768433167 1080552488 /nfs/dbraw/zinc/55/24/88/1080552488.db2.gz XESZURVHDULOAM-UHFFFAOYSA-N 0 0 403.298 2.045 20 0 HEADRN CC(=O)N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000768432720 1080552556 /nfs/dbraw/zinc/55/25/56/1080552556.db2.gz PYTZHXHAHFORQE-UHFFFAOYSA-N 0 0 417.325 2.245 20 0 HEADRN COC(=O)CCc1cccc(NC(=O)C(=O)NC[C@@H](C)Oc2ccc(F)cc2)c1 ZINC000786343692 1080552604 /nfs/dbraw/zinc/55/26/04/1080552604.db2.gz NBMYBFIWIXITCB-CQSZACIVSA-N 0 0 402.422 2.454 20 0 HEADRN COCCc1ccccc1NC(=O)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000786345897 1080553065 /nfs/dbraw/zinc/55/30/65/1080553065.db2.gz ZONXRTRRDPTFSS-UHFFFAOYSA-N 0 0 405.495 2.330 20 0 HEADRN Cc1[nH]nc(C(C)C)c1C(=O)OCC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000786345935 1080553121 /nfs/dbraw/zinc/55/31/21/1080553121.db2.gz ZWCLTEWYERRNRI-UHFFFAOYSA-N 0 0 400.479 2.469 20 0 HEADRN C[C@H](Sc1nnc(-c2n[nH]c3c2CCC3)n1N)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000768433681 1080553275 /nfs/dbraw/zinc/55/32/75/1080553275.db2.gz NXXBTTDRNZXINH-KZVDOYCCSA-N 0 0 403.556 2.292 20 0 HEADRN COc1ccc(C[C@H](CO)CNC(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)cc1O ZINC000786346268 1080553509 /nfs/dbraw/zinc/55/35/09/1080553509.db2.gz ACMQJFUFXPVMEF-DJJJIMSYSA-N 0 0 420.412 2.139 20 0 HEADRN CC(=O)OCCCc1cccc(NC(=O)CCc2c(C)nc3nc(N)nn3c2C)c1 ZINC000768433995 1080553628 /nfs/dbraw/zinc/55/36/28/1080553628.db2.gz TVHMALKVLWDZEV-UHFFFAOYSA-N 0 0 410.478 2.390 20 0 HEADRN COc1cccc(-c2nnc(S[C@H](C(=O)NCc3cccnc3)C(C)C)n2N)c1 ZINC000768434264 1080554381 /nfs/dbraw/zinc/55/43/81/1080554381.db2.gz SVAMTZOEFPGKDA-KRWDZBQOSA-N 0 0 412.519 2.496 20 0 HEADRN O=C(COC(=O)c1csc(Cl)c1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000786351789 1080554980 /nfs/dbraw/zinc/55/49/80/1080554980.db2.gz NDZDMFCZKDHPRX-UHFFFAOYSA-N 0 0 422.890 2.347 20 0 HEADRN CC(C)COC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(C(F)(F)F)n2)CC1 ZINC000786307484 1080555281 /nfs/dbraw/zinc/55/52/81/1080555281.db2.gz FBYGVYPKKMKKHO-UHFFFAOYSA-N 0 0 416.400 2.366 20 0 HEADRN CCc1nnc([C@@H](C)Sc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2N)o1 ZINC000768435862 1080555780 /nfs/dbraw/zinc/55/57/80/1080555780.db2.gz PDSQBDXXNKOQID-SECBINFHSA-N 0 0 406.468 2.483 20 0 HEADRN COc1cc(-c2nnc(SCC(=O)N3CCCC[C@@H]3C)n2N)cc(OC)c1OC ZINC000768435925 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ZINC000769540845 1081093723 /nfs/dbraw/zinc/09/37/23/1081093723.db2.gz URQHTCWXTLPFJQ-MRXNPFEDSA-N 0 0 404.511 2.376 20 0 HEADRN C[S@@](=O)CCN1CCN(Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000769478669 1081093755 /nfs/dbraw/zinc/09/37/55/1081093755.db2.gz FCSYWXGQRYAJFT-XMMPIXPASA-N 0 0 417.369 2.107 20 0 HEADRN CON(CC1CCOCC1)C(=O)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000787288523 1081093753 /nfs/dbraw/zinc/09/37/53/1081093753.db2.gz NPTKTZZSKYHOSL-UHFFFAOYSA-N 0 0 417.437 2.446 20 0 HEADRN Cc1ccc(CNC(=O)NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)c(=O)n1C ZINC000787289614 1081094144 /nfs/dbraw/zinc/09/41/44/1081094144.db2.gz LHJCLIDKHZJMOV-HOCLYGCPSA-N 0 0 422.526 2.253 20 0 HEADRN COC(=O)[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccc2c(c1)CCO2 ZINC000769491969 1081094285 /nfs/dbraw/zinc/09/42/85/1081094285.db2.gz GWKGVOCGJQHUJA-KRWDZBQOSA-N 0 0 423.874 2.323 20 0 HEADRN COC(=O)[C@@H](NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1)c1ccc2c(c1)CCO2 ZINC000769493818 1081096039 /nfs/dbraw/zinc/09/60/39/1081096039.db2.gz 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C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)C(=O)N1c1cnn(C)c1 ZINC000769510677 1081102403 /nfs/dbraw/zinc/10/24/03/1081102403.db2.gz BJXIPWWVYRZIOS-XNJGSVPQSA-N 0 0 403.433 2.391 20 0 HEADRN CCOC(=O)Nc1ccc2c(CN3CCN(c4cnn(C)c4)CC3)cc(=O)oc2c1 ZINC000746668183 1081104066 /nfs/dbraw/zinc/10/40/66/1081104066.db2.gz NKSCNJWMNPSDMX-UHFFFAOYSA-N 0 0 411.462 2.417 20 0 HEADRN CC[C@@H]1CN(Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CCN1CC(F)F ZINC000769513657 1081104186 /nfs/dbraw/zinc/10/41/86/1081104186.db2.gz DWKLXKWLBHECPV-KGLIPLIRSA-N 0 0 424.945 2.366 20 0 HEADRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@H](C2CCOCC2)C1 ZINC000769518792 1081105474 /nfs/dbraw/zinc/10/54/74/1081105474.db2.gz DETTXEXQKLWHDE-JKSUJKDBSA-N 0 0 401.960 2.453 20 0 HEADRN CNC(=O)Cc1noc(COC(=O)c2ccc(Br)c(Cl)c2F)n1 ZINC000769517835 1081105577 /nfs/dbraw/zinc/10/55/77/1081105577.db2.gz WCHILIGZILLBNC-UHFFFAOYSA-N 0 0 406.595 2.270 20 0 HEADRN COc1ccc(OC)c2c1CN(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)C[C@H]2O ZINC000769536976 1081114360 /nfs/dbraw/zinc/11/43/60/1081114360.db2.gz GACNZSCRVODOKR-TZMCWYRMSA-N 0 0 409.483 2.176 20 0 HEADRN COC(=O)CCCN(Cc1ccccc1)C(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000769598525 1081117612 /nfs/dbraw/zinc/11/76/12/1081117612.db2.gz VNHBCVIOHBNCPB-UHFFFAOYSA-N 0 0 408.451 2.069 20 0 HEADRN CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000769544806 1081119670 /nfs/dbraw/zinc/11/96/70/1081119670.db2.gz HYAVIRKQKFVMMG-HNNXBMFYSA-N 0 0 405.495 2.112 20 0 HEADRN CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N3CCCN(S(C)(=O)=O)CC3)cc2C1 ZINC000769546301 1081119725 /nfs/dbraw/zinc/11/97/25/1081119725.db2.gz AYXFSKLYUUKQCX-UHFFFAOYSA-N 0 0 423.535 2.045 20 0 HEADRN COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC[NH+](C)C)cc2)c(F)cc1F ZINC000769549230 1081121395 /nfs/dbraw/zinc/12/13/95/1081121395.db2.gz SICTUPZTKSWWDG-UHFFFAOYSA-N 0 0 414.430 2.493 20 0 HEADRN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1nnn(Cc2ccc(F)cc2)c1C ZINC000769551266 1081122011 /nfs/dbraw/zinc/12/20/11/1081122011.db2.gz GFAFVNUAPDMPLP-CQSZACIVSA-N 0 0 414.441 2.308 20 0 HEADRN CN(CCC1CCN(C(=S)NCCN2CCOCC2)CC1)C(=O)OC(C)(C)C ZINC000769550945 1081122139 /nfs/dbraw/zinc/12/21/39/1081122139.db2.gz JLRVPHWCIZQIQD-UHFFFAOYSA-N 0 0 414.616 2.162 20 0 HEADRN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC(c3ncc[nH]3)CC2)cc1 ZINC000769564200 1081127219 /nfs/dbraw/zinc/12/72/19/1081127219.db2.gz CHMWDKSPDHMFBY-UHFFFAOYSA-N 0 0 406.433 2.375 20 0 HEADRN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCCC[C@H]2CS(N)(=O)=O)CC1=O ZINC000769572460 1081129888 /nfs/dbraw/zinc/12/98/88/1081129888.db2.gz DBTINHCITCXXEC-BBWFWOEESA-N 0 0 421.563 2.223 20 0 HEADRN NS(=O)(=O)C[C@@H]1CCCCN1C(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000769573952 1081130736 /nfs/dbraw/zinc/13/07/36/1081130736.db2.gz BNRJKLYQGPDPOK-SFHVURJKSA-N 0 0 418.515 2.314 20 0 HEADRN NS(=O)(=O)C[C@H]1CCCCN1C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000769576556 1081132548 /nfs/dbraw/zinc/13/25/48/1081132548.db2.gz FUSMIMYRRXYXCC-CYBMUJFWSA-N 0 0 413.446 2.222 20 0 HEADRN Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCCC[C@H]2CS(N)(=O)=O)c1 ZINC000769582385 1081135687 /nfs/dbraw/zinc/13/56/87/1081135687.db2.gz FWHGJFHROYLYNO-INIZCTEOSA-N 0 0 422.576 2.251 20 0 HEADRN Cc1ccc(O[C@H](C)C(=O)N2CCCC[C@H]2CS(N)(=O)=O)c(Br)c1 ZINC000769586393 1081137581 /nfs/dbraw/zinc/13/75/81/1081137581.db2.gz NBPUGALODBIDKZ-OLZOCXBDSA-N 0 0 419.341 2.194 20 0 HEADRN Cc1ccc(-n2nc(C(=O)N3CCCC[C@H]3CS(N)(=O)=O)c3c2CCC3)c(F)c1 ZINC000769586119 1081138122 /nfs/dbraw/zinc/13/81/22/1081138122.db2.gz PVBALDLYHQTCMV-AWEZNQCLSA-N 0 0 420.510 2.092 20 0 HEADRN Cc1nn(-c2ccccc2)c2nc(C(=O)N3CCCC[C@H]3CS(N)(=O)=O)ccc12 ZINC000769588808 1081140190 /nfs/dbraw/zinc/14/01/90/1081140190.db2.gz VYTGSNLELMKLAI-INIZCTEOSA-N 0 0 413.503 2.012 20 0 HEADRN NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CCCc1ccccc1Br ZINC000769593803 1081141478 /nfs/dbraw/zinc/14/14/78/1081141478.db2.gz MAASYQSHCOOBIG-AWEZNQCLSA-N 0 0 403.342 2.441 20 0 HEADRN COC(=O)Nc1cc(C(=O)N2CCCC[C@H]2CS(N)(=O)=O)cc(C(F)(F)F)c1 ZINC000769593506 1081142123 /nfs/dbraw/zinc/14/21/23/1081142123.db2.gz LBLOCRBVLCDHMK-ZDUSSCGKSA-N 0 0 423.413 2.167 20 0 HEADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N2CCO[C@@]3(CCOC3)C2)cc1 ZINC000769626944 1081143882 /nfs/dbraw/zinc/14/38/82/1081143882.db2.gz ZZDDJCNCPBAMLJ-YJBOKZPZSA-N 0 0 408.296 2.300 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)Nc2ccc(N(C)C(C)=O)cc2)c(=O)[nH]c1=O ZINC000769627693 1081145561 /nfs/dbraw/zinc/14/55/61/1081145561.db2.gz VRDGLCOYJWPIJN-UHFFFAOYSA-N 0 0 422.507 2.313 20 0 HEADRN CCC1(CC)CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC[S@@]1=O ZINC000769630387 1081147620 /nfs/dbraw/zinc/14/76/20/1081147620.db2.gz MSLUHZVFLSTYDK-VWLOTQADSA-N 0 0 420.984 2.354 20 0 HEADRN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)Oc2cccc(C(N)=O)c2)s1 ZINC000769631917 1081149161 /nfs/dbraw/zinc/14/91/61/1081149161.db2.gz DCYXKHHNQDYXTI-UHFFFAOYSA-N 0 0 410.517 2.320 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)N2CCOc3cc(C)ccc32)c(=O)[nH]c1=O ZINC000769634307 1081150968 /nfs/dbraw/zinc/15/09/68/1081150968.db2.gz STWNSSCIZDIUFJ-UHFFFAOYSA-N 0 0 407.492 2.425 20 0 HEADRN C[C@@H]1CN(C(C)(C)CNC(=O)c2nccn3c(Br)cnc23)C[C@@H](C)O1 ZINC000769640054 1081160068 /nfs/dbraw/zinc/16/00/68/1081160068.db2.gz SSRBIZYTDUSGOM-VXGBXAGGSA-N 0 0 410.316 2.109 20 0 HEADRN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NCc2nc(C3CC3)no2)s1 ZINC000769640548 1081160800 /nfs/dbraw/zinc/16/08/00/1081160800.db2.gz XCQZLYULJSLQJE-UHFFFAOYSA-N 0 0 412.537 2.192 20 0 HEADRN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000769643796 1081162426 /nfs/dbraw/zinc/16/24/26/1081162426.db2.gz QCMYFGAFJSEUEP-LLVKDONJSA-N 0 0 406.451 2.467 20 0 HEADRN CC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000769645163 1081162469 /nfs/dbraw/zinc/16/24/69/1081162469.db2.gz XWIBVTLPOFZFAG-ILXRZTDVSA-N 0 0 422.478 2.178 20 0 HEADRN CCOC(=O)N(C)C1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 ZINC000769643569 1081162569 /nfs/dbraw/zinc/16/25/69/1081162569.db2.gz VPEQBNJHZGQLNM-UHFFFAOYSA-N 0 0 400.888 2.458 20 0 HEADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)O[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000769603000 1081165300 /nfs/dbraw/zinc/16/53/00/1081165300.db2.gz KPTXBBGGTUBLLH-QAPCUYQASA-N 0 0 420.506 2.433 20 0 HEADRN CCOC(=O)c1ccc(NC(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)cn1 ZINC000769604262 1081166089 /nfs/dbraw/zinc/16/60/89/1081166089.db2.gz HGNSYLMNRMDEIJ-UHFFFAOYSA-N 0 0 421.400 2.456 20 0 HEADRN CCc1ccc([C@]2(CC)NC(=O)N(CC(=O)N[C@H](CC(C)C)C(=O)OC)C2=O)cc1 ZINC000769605387 1081166630 /nfs/dbraw/zinc/16/66/30/1081166630.db2.gz RMNZVWGBZHEGCP-VGSWGCGISA-N 0 0 417.506 2.110 20 0 HEADRN CCc1ccc([C@]2(CC)NC(=O)N(CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC)C2=O)cc1 ZINC000769606765 1081167603 /nfs/dbraw/zinc/16/76/03/1081167603.db2.gz XUBJKDAMUIYTRX-OHOGDBNVSA-N 0 0 417.506 2.110 20 0 HEADRN CC[C@H](CO)N1CCN(C(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000769608433 1081169509 /nfs/dbraw/zinc/16/95/09/1081169509.db2.gz VXSVXLJTPICRJD-LJQANCHMSA-N 0 0 403.523 2.466 20 0 HEADRN CC(C)(C)OC(=O)N[C@H](C(=O)OCCN1C(=O)NC2(CCCC2)C1=O)C(C)(C)C ZINC000769609668 1081170059 /nfs/dbraw/zinc/17/00/59/1081170059.db2.gz GEDCYQXENZOEHZ-CYBMUJFWSA-N 0 0 411.499 2.334 20 0 HEADRN COC(=O)[C@@H]1CN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)Cc2ccccc21 ZINC001170007687 1081170065 /nfs/dbraw/zinc/17/00/65/1081170065.db2.gz BLAPLSVGAQDQHT-VXIBKDFQSA-N 0 0 417.531 2.011 20 0 HEADRN CCOCCNC(=O)COC(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769609892 1081170189 /nfs/dbraw/zinc/17/01/89/1081170189.db2.gz CXIMOOXCIFUURL-GOSISDBHSA-N 0 0 406.479 2.217 20 0 HEADRN O=C(c1nccn2c(Br)cnc12)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000769616766 1081174447 /nfs/dbraw/zinc/17/44/47/1081174447.db2.gz XKQGZTXIQVGZIY-UHFFFAOYSA-N 0 0 420.311 2.357 20 0 HEADRN CNC(=O)c1cncc(/C=C/C(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c1 ZINC000769617760 1081175385 /nfs/dbraw/zinc/17/53/85/1081175385.db2.gz WEKOCGSUQDVVPI-LFAOLKIESA-N 0 0 421.419 2.441 20 0 HEADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)OCC(=O)N1CCCc2ccccc21 ZINC000769621252 1081176870 /nfs/dbraw/zinc/17/68/70/1081176870.db2.gz DQVVLOCILNZBHY-INIZCTEOSA-N 0 0 406.479 2.439 20 0 HEADRN O=C1COc2ccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2N1 ZINC000015941846 132463388 /nfs/dbraw/zinc/46/33/88/132463388.db2.gz ZUDNWLPVPOPOIT-UHFFFAOYSA-N 0 0 407.879 2.182 20 0 HEADRN COC1(c2nc(CC(F)(F)F)no2)CCN(C(=O)c2ccc(N(C)C)cn2)CC1 ZINC000575886856 569052192 /nfs/dbraw/zinc/05/21/92/569052192.db2.gz CSVSLMJDNXGMCM-UHFFFAOYSA-N 0 0 413.400 2.413 20 0 HEADRN COc1cc(C)c(C(=O)NC[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)cc1OC ZINC000550387688 569285080 /nfs/dbraw/zinc/28/50/80/569285080.db2.gz MWRCJXYTNAMICB-HNNXBMFYSA-N 0 0 414.506 2.339 20 0 HEADRN COCCN1CCN(C)C2(CCN(c3nccc(-c4ccc(F)cc4)n3)CC2)C1=O ZINC001164633904 719273682 /nfs/dbraw/zinc/27/36/82/719273682.db2.gz JOIPIEUTBCVENV-UHFFFAOYSA-N 0 0 413.497 2.042 20 0 HEADRN COCCN1CCN(C)C2(CCN(c3cccc(OCc4ccccc4)n3)CC2)C1=O ZINC001164641179 719278257 /nfs/dbraw/zinc/27/82/57/719278257.db2.gz SWRWQAFHPJICTA-UHFFFAOYSA-N 0 0 424.545 2.420 20 0 HEADRN COCCN1CCN(C)C2(CCN(c3ncccc3OCc3ccccc3)CC2)C1=O ZINC001164642010 719279527 /nfs/dbraw/zinc/27/95/27/719279527.db2.gz VXKNBEWYHCYJTO-UHFFFAOYSA-N 0 0 424.545 2.420 20 0 HEADRN COCCN1CCN(C)C2(CCN(c3c(C)nc(C4CC4)nc3Cl)CC2)C1=O ZINC001164644675 719281620 /nfs/dbraw/zinc/28/16/20/719281620.db2.gz PUSHTRXICBEDCE-UHFFFAOYSA-N 0 0 407.946 2.075 20 0 HEADRN CCc1ccc(-c2ccc(N3CCC4(CC3)C(=O)N(CCOC)CCN4C)nn2)cc1 ZINC001164644467 719281972 /nfs/dbraw/zinc/28/19/72/719281972.db2.gz KQPLOIUDMDXFOH-UHFFFAOYSA-N 0 0 423.561 2.465 20 0 HEADRN CN1CCc2nc(Cl)nc(N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@H]43)c2C1 ZINC001164655235 719295471 /nfs/dbraw/zinc/29/54/71/719295471.db2.gz SKMNUWCTWVMMCD-QRVBRYPASA-N 0 0 415.925 2.466 20 0 HEADRN O=C1CCCN1[C@@H]1CN(C(F)(F)Oc2cnc(Cl)cn2)C[C@H]2CCCO[C@H]21 ZINC001164648715 719305793 /nfs/dbraw/zinc/30/57/93/719305793.db2.gz QVNDSBDPOMWXSH-XHBSWPGZSA-N 0 0 402.829 2.161 20 0 HEADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)Oc2cnc(Cl)cn2)C[C@@H]2CCCO[C@@H]12 ZINC001164656272 719326670 /nfs/dbraw/zinc/32/66/70/719326670.db2.gz VWUFWHNVYJHRKB-OGHNNQOOSA-N 0 0 416.856 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CC[C@@]1(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CCCN1C(=O)OC(C)(C)C ZINC000771684938 1079448841 /nfs/dbraw/zinc/44/88/41/1079448841.db2.gz WJYWZKFAXVEFRC-VFNWGFHPSA-N 0 0 419.526 2.130 20 0 HEADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)n(C)c1 ZINC000771686437 1079449460 /nfs/dbraw/zinc/44/94/60/1079449460.db2.gz QVWIJACKIOHWRU-ACJLOTCBSA-N 0 0 411.499 2.047 20 0 HEADRN Cn1cc([C@@H](O)C[C@@H]2CCCN2S(=O)(=O)c2cnc(Cl)c(Cl)c2)cn1 ZINC000766850294 1079450200 /nfs/dbraw/zinc/45/02/00/1079450200.db2.gz FDOFNXPNSODLOV-FZMZJTMJSA-N 0 0 405.307 2.399 20 0 HEADRN CCN1C(=O)[C@H]2CN(C(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)CCN2C1=O ZINC000771690413 1079450650 /nfs/dbraw/zinc/45/06/50/1079450650.db2.gz NWZXWONUSQQKGD-MRXNPFEDSA-N 0 0 416.478 2.071 20 0 HEADRN CCC(=O)c1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(S(N)(=O)=O)c1 ZINC000804342207 1079450682 /nfs/dbraw/zinc/45/06/82/1079450682.db2.gz GBUCGYUQRDIPDR-UHFFFAOYSA-N 0 0 419.478 2.028 20 0 HEADRN CC[C@@H](NC(=O)CS(=O)(=O)NC1CCC(C)CC1)[C@@H](O)c1c(F)cccc1F ZINC000771694484 1079451681 /nfs/dbraw/zinc/45/16/81/1079451681.db2.gz BNIGHNDIJWXVSD-JUSPOTDISA-N 0 0 418.506 2.391 20 0 HEADRN COC(=O)[C@@H](c1cc(OC)cc(OC)c1)N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000766863306 1079451827 /nfs/dbraw/zinc/45/18/27/1079451827.db2.gz ODGFYRFOQBSDPV-IAGOWNOFSA-N 0 0 403.435 2.252 20 0 HEADRN CC[C@H](NC(=O)CCCS(=O)(=O)N1CCCC1)[C@H](O)c1c(F)cccc1F ZINC000771694326 1079451923 /nfs/dbraw/zinc/45/19/23/1079451923.db2.gz BXRSOZTUBJGMTJ-YJBOKZPZSA-N 0 0 404.479 2.099 20 0 HEADRN CC[C@H](NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)[C@@H](O)c1c(F)cccc1F ZINC000771693792 1079452351 /nfs/dbraw/zinc/45/23/51/1079452351.db2.gz AZUHAADBKYRTTP-LUQKVYGDSA-N 0 0 417.412 2.261 20 0 HEADRN CC[C@@H](NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)[C@H](O)c1c(F)cccc1F ZINC000771695544 1079453483 /nfs/dbraw/zinc/45/34/83/1079453483.db2.gz JXPCSIAVWZLVGU-BEFAXECRSA-N 0 0 414.412 2.491 20 0 HEADRN Cn1cc(S(=O)(=O)Oc2cccc(Oc3ccnc(C(N)=O)c3)c2)nc1Cl 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C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCN1C ZINC000742194661 1076783407 /nfs/dbraw/zinc/78/34/07/1076783407.db2.gz AHMWUKGSRHVNQR-ZDUSSCGKSA-N 0 0 417.934 2.042 20 0 HEADRN C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)CCN1C ZINC000742195875 1076784290 /nfs/dbraw/zinc/78/42/90/1076784290.db2.gz TWOWXQPMCZBJNU-HNNXBMFYSA-N 0 0 419.572 2.271 20 0 HEADRN CNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1 ZINC000742201792 1076788220 /nfs/dbraw/zinc/78/82/20/1076788220.db2.gz QRHBRUMPLZZRFH-UHFFFAOYSA-N 0 0 411.524 2.066 20 0 HEADRN C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000742201717 1076788715 /nfs/dbraw/zinc/78/87/15/1076788715.db2.gz YAPKMDWZXSHIJP-GFCCVEGCSA-N 0 0 410.544 2.347 20 0 HEADRN CC(C)(C)OC(=O)N1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C(C)(C)C1 ZINC000742202189 1076790547 /nfs/dbraw/zinc/79/05/47/1076790547.db2.gz WAMCPJOTBMZMPK-HOTGVXAUSA-N 0 0 421.538 2.410 20 0 HEADRN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)Cc2cccc(F)c2)C(C)(C)C1 ZINC000742202207 1076790604 /nfs/dbraw/zinc/79/06/04/1076790604.db2.gz WKZRZTDNDDJYEA-UHFFFAOYSA-N 0 0 407.486 2.342 20 0 HEADRN O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)N[C@H]1CCSC1=O ZINC000742204750 1076790969 /nfs/dbraw/zinc/79/09/69/1076790969.db2.gz GORVXKKZWIEXAD-RYUDHWBXSA-N 0 0 424.573 2.426 20 0 HEADRN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(-c4nc(C)no4)cn3)CC2)c1 ZINC000742176472 1076792148 /nfs/dbraw/zinc/79/21/48/1076792148.db2.gz IOCDTSXTZFSPQD-UHFFFAOYSA-N 0 0 409.446 2.420 20 0 HEADRN CS(=O)(=O)[C@H]1CSCCN1C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000742177670 1076793465 /nfs/dbraw/zinc/79/34/65/1076793465.db2.gz AIYPXVCXAVVMQL-JSGCOSHPSA-N 0 0 420.965 2.089 20 0 HEADRN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCSC[C@@H]3S(C)(=O)=O)C2)c1 ZINC000742179530 1076795566 /nfs/dbraw/zinc/79/55/66/1076795566.db2.gz QSSOVVLAFMXUFG-WMZOPIPTSA-N 0 0 424.588 2.102 20 0 HEADRN CS(=O)(=O)[C@@H]1CSCCN1C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000742179346 1076795580 /nfs/dbraw/zinc/79/55/80/1076795580.db2.gz 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ZINC000742205200 1076799118 /nfs/dbraw/zinc/79/91/18/1076799118.db2.gz NJDBUHMAOBEJDK-LCYFTJDESA-N 0 0 402.476 2.292 20 0 HEADRN COc1cc(C(=O)Nc2cnc(Br)cn2)cc(Cl)c1OCC(N)=O ZINC000742222656 1076800712 /nfs/dbraw/zinc/80/07/12/1076800712.db2.gz UJPHQWJCLBBECC-UHFFFAOYSA-N 0 0 415.631 2.018 20 0 HEADRN Cc1ccc(CCN(Cc2ccco2)C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000742220530 1076800759 /nfs/dbraw/zinc/80/07/59/1076800759.db2.gz PUZHVWVDXSXKMZ-KHPPLWFESA-N 0 0 407.470 2.270 20 0 HEADRN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(N3CCCNC3=O)c2)C1=O ZINC000742223699 1076801181 /nfs/dbraw/zinc/80/11/81/1076801181.db2.gz IQNDCWKQUHENOO-QFIPXVFZSA-N 0 0 421.457 2.012 20 0 HEADRN CC(=O)Nc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)cc1 ZINC000742226623 1076801664 /nfs/dbraw/zinc/80/16/64/1076801664.db2.gz QOXNJVQQOZNHNP-UHFFFAOYSA-N 0 0 418.406 2.393 20 0 HEADRN COCc1ccccc1CNC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC000742226216 1076801911 /nfs/dbraw/zinc/80/19/11/1076801911.db2.gz NBITUDSIBCDQSE-UHFFFAOYSA-N 0 0 419.434 2.259 20 0 HEADRN COC(=O)[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccn1 ZINC000742235992 1076802981 /nfs/dbraw/zinc/80/29/81/1076802981.db2.gz AHBBJJFRXXWOOT-RQWLHQTBSA-N 0 0 407.470 2.364 20 0 HEADRN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C3CCOCC3)[nH]n2)c1 ZINC000742237293 1076803246 /nfs/dbraw/zinc/80/32/46/1076803246.db2.gz XUZZOUXNDKYKEH-UHFFFAOYSA-N 0 0 412.899 2.460 20 0 HEADRN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC(N(C)CC(F)F)CC1 ZINC000742238850 1076803522 /nfs/dbraw/zinc/80/35/22/1076803522.db2.gz LZUCCVMCYKRTDV-UHFFFAOYSA-N 0 0 415.506 2.237 20 0 HEADRN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC000742241622 1076804104 /nfs/dbraw/zinc/80/41/04/1076804104.db2.gz RVQYXQNBAWVMQR-UHFFFAOYSA-N 0 0 417.378 2.017 20 0 HEADRN COc1ccc(-c2n[nH]cc2C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000742247170 1076805909 /nfs/dbraw/zinc/80/59/09/1076805909.db2.gz RBAISPSNSGVGAT-SFHVURJKSA-N 0 0 423.395 2.389 20 0 HEADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(NC=O)cc1 ZINC000742248596 1076805962 /nfs/dbraw/zinc/80/59/62/1076805962.db2.gz DQWXIAMDRHWYLJ-UHFFFAOYSA-N 0 0 401.488 2.488 20 0 HEADRN CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)C(C)(C)NC(=O)Nc2ccccc2)C1 ZINC000742250838 1076806462 /nfs/dbraw/zinc/80/64/62/1076806462.db2.gz LJJHTAMQJDJRRK-CYBMUJFWSA-N 0 0 402.524 2.410 20 0 HEADRN CS(=O)(=O)CCS(=O)(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000742273170 1076807623 /nfs/dbraw/zinc/80/76/23/1076807623.db2.gz USKZGLUMBUAZEZ-UHFFFAOYSA-N 0 0 408.453 2.213 20 0 HEADRN COC(=O)c1cc(S(=O)(=O)N[C@H](c2nccn2C)c2ccccc2OC)cs1 ZINC000742273471 1076807688 /nfs/dbraw/zinc/80/76/88/1076807688.db2.gz UZSCDZJOFGTTMH-INIZCTEOSA-N 0 0 421.500 2.345 20 0 HEADRN COC(=O)c1cc(S(=O)(=O)N[C@@H](c2nccn2C)c2ccccc2OC)cs1 ZINC000742273473 1076807750 /nfs/dbraw/zinc/80/77/50/1076807750.db2.gz UZSCDZJOFGTTMH-MRXNPFEDSA-N 0 0 421.500 2.345 20 0 HEADRN CCOC(=O)N1CCC(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000742274909 1076807846 /nfs/dbraw/zinc/80/78/46/1076807846.db2.gz HLFNNVKKQKBEBF-UHFFFAOYSA-N 0 0 417.915 2.161 20 0 HEADRN CCn1nc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC)cc2)c1C ZINC000742276843 1076808403 /nfs/dbraw/zinc/80/84/03/1076808403.db2.gz LECQXCJJZSCZQO-KRWDZBQOSA-N 0 0 406.508 2.320 20 0 HEADRN CCN(CC(=O)NC)S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000742276520 1076808731 /nfs/dbraw/zinc/80/87/31/1076808731.db2.gz JLWGPHUECWWWQJ-UHFFFAOYSA-N 0 0 403.220 2.225 20 0 HEADRN CS(=O)(=O)CCS(=O)(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000742279164 1076809322 /nfs/dbraw/zinc/80/93/22/1076809322.db2.gz FPYDHSRLYQJRSG-CQSZACIVSA-N 0 0 410.355 2.254 20 0 HEADRN COC(=O)c1ccccc1CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000742280064 1076809369 /nfs/dbraw/zinc/80/93/69/1076809369.db2.gz RDCWPUXBHMNXLR-OAHLLOKOSA-N 0 0 417.487 2.049 20 0 HEADRN Cc1ccc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)cc1S(N)(=O)=O ZINC000742253990 1076810014 /nfs/dbraw/zinc/81/00/14/1076810014.db2.gz RGEWHNHWWYDNFO-UHFFFAOYSA-N 0 0 411.524 2.210 20 0 HEADRN CN(CCN1CCCC1=O)C(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 ZINC000742255530 1076810285 /nfs/dbraw/zinc/81/02/85/1076810285.db2.gz YIDASUIKJANHEU-UHFFFAOYSA-N 0 0 401.507 2.130 20 0 HEADRN O=C1NC2(CCCC2)C(=O)N1CCNc1ccc(OCCO)cc1C(F)(F)F ZINC000742260803 1076810545 /nfs/dbraw/zinc/81/05/45/1076810545.db2.gz CSOMPDNLJWLYHC-UHFFFAOYSA-N 0 0 401.385 2.353 20 0 HEADRN O=C1C[C@H](N2CCc3c(cccc3N3CCOC3=O)C2)C(=O)N1Cc1ccccc1 ZINC000742264617 1076810984 /nfs/dbraw/zinc/81/09/84/1076810984.db2.gz DVQAXVSZSKTMAC-FQEVSTJZSA-N 0 0 405.454 2.329 20 0 HEADRN Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4ncnc5ccsc54)CC3)C2=O)cc1 ZINC000742265579 1076811304 /nfs/dbraw/zinc/81/13/04/1076811304.db2.gz FXNLWCLXQPMVAQ-QGZVFWFLSA-N 0 0 407.499 2.454 20 0 HEADRN CN(c1ccc(OS(=O)(=O)Cc2ccon2)cc1)S(=O)(=O)c1cccs1 ZINC000742270072 1076811846 /nfs/dbraw/zinc/81/18/46/1076811846.db2.gz YPKYKNHANHWJMR-UHFFFAOYSA-N 0 0 414.486 2.470 20 0 HEADRN C[C@@H](NS(=O)(=O)CC1CCOCC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000742301668 1076811858 /nfs/dbraw/zinc/81/18/58/1076811858.db2.gz VEIXASYPXUGKHM-CQSZACIVSA-N 0 0 400.516 2.194 20 0 HEADRN CC(=O)N(C)c1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1 ZINC000742310154 1076812153 /nfs/dbraw/zinc/81/21/53/1076812153.db2.gz RBIDPOBBEOYEEX-LJQANCHMSA-N 0 0 401.488 2.062 20 0 HEADRN CCN(CC)C(=O)c1cccc(OS(=O)(=O)c2ccc(OC)c(C(N)=O)c2)c1 ZINC000742304634 1076812945 /nfs/dbraw/zinc/81/29/45/1076812945.db2.gz JFGZEPUWHLYPIX-UHFFFAOYSA-N 0 0 406.460 2.044 20 0 HEADRN CN(C1CCOCC1)S(=O)(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000742306238 1076813779 /nfs/dbraw/zinc/81/37/79/1076813779.db2.gz LMMNFUSSNPTBBP-UHFFFAOYSA-N 0 0 417.837 2.078 20 0 HEADRN CCOC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)c1 ZINC000742310182 1076814245 /nfs/dbraw/zinc/81/42/45/1076814245.db2.gz RUQPZYCXQGYFTQ-SFHVURJKSA-N 0 0 402.472 2.256 20 0 HEADRN CC(=O)N1CCCc2cc(S(=O)(=O)Oc3ccc(O[C@@H](C)C(N)=O)cc3)ccc21 ZINC000742309064 1076814259 /nfs/dbraw/zinc/81/42/59/1076814259.db2.gz KITUCBYJQBLCCY-ZDUSSCGKSA-N 0 0 418.471 2.006 20 0 HEADRN O=C(CNC(=O)OCc1ccccc1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000742308679 1076814284 /nfs/dbraw/zinc/81/42/84/1076814284.db2.gz IXXBKJCWIQTHTH-UHFFFAOYSA-N 0 0 413.449 2.473 20 0 HEADRN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)s1 ZINC000742308772 1076814434 /nfs/dbraw/zinc/81/44/34/1076814434.db2.gz LIBBBUCDSGZIBP-CZUORRHYSA-N 0 0 421.544 2.337 20 0 HEADRN Cc1ccc(N2CC[C@H](NS(=O)(=O)c3cnn(-c4ccccc4F)c3)C2=O)cc1 ZINC000742309796 1076814928 /nfs/dbraw/zinc/81/49/28/1076814928.db2.gz PYDZTFHLQVOKGU-SFHVURJKSA-N 0 0 414.462 2.404 20 0 HEADRN COC(=O)Cn1cc(S(=O)(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cn1 ZINC000742283694 1076815571 /nfs/dbraw/zinc/81/55/71/1076815571.db2.gz NFDVVOIHRJHKLH-UHFFFAOYSA-N 0 0 402.476 2.106 20 0 HEADRN COc1ccccc1-n1cc(S(=O)(=O)Oc2cc(Cl)ccc2C(N)=O)cn1 ZINC000742283674 1076815585 /nfs/dbraw/zinc/81/55/85/1076815585.db2.gz MSKIAHPHNXJUCI-UHFFFAOYSA-N 0 0 407.835 2.401 20 0 HEADRN CCOC(=O)CCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 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COc1cccc(C[C@@H](O)C(=O)O[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)c1 ZINC000785707259 1080215332 /nfs/dbraw/zinc/21/53/32/1080215332.db2.gz VOLWBTORFFJTAP-ORAYPTAESA-N 0 0 400.431 2.127 20 0 HEADRN Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000785709394 1080216535 /nfs/dbraw/zinc/21/65/35/1080216535.db2.gz CEPOSWYWLGGTKT-CGTJXYLNSA-N 0 0 418.465 2.446 20 0 HEADRN CC(C)(C)OC(=O)NCCN(CCO)Cc1cn2cc(Br)ccc2n1 ZINC000767922745 1080217404 /nfs/dbraw/zinc/21/74/04/1080217404.db2.gz CRPYAWSUVHTBHH-UHFFFAOYSA-N 0 0 413.316 2.416 20 0 HEADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN([C@@H](C)c2cccnc2)CC1 ZINC000767924722 1080217795 /nfs/dbraw/zinc/21/77/95/1080217795.db2.gz OATCUGRKMXQKLX-WMZOPIPTSA-N 0 0 406.527 2.217 20 0 HEADRN CSc1cccc(NC(=O)COC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 ZINC000785710019 1080218749 /nfs/dbraw/zinc/21/87/49/1080218749.db2.gz DSFDGGLLWOJWBJ-QZTJIDSGSA-N 0 0 418.515 2.331 20 0 HEADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000767897608 1080220100 /nfs/dbraw/zinc/22/01/00/1080220100.db2.gz BECDLNFLEVDHOB-GJZGRUSLSA-N 0 0 415.531 2.384 20 0 HEADRN CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000767897512 1080220134 /nfs/dbraw/zinc/22/01/34/1080220134.db2.gz NVDYMDPQPKVZQY-MRVPVSSYSA-N 0 0 411.709 2.043 20 0 HEADRN Cc1nc(-c2ccc(C)cc2NC(=O)CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)n[nH]1 ZINC000767899048 1080221152 /nfs/dbraw/zinc/22/11/52/1080221152.db2.gz LGUGWNUUHXJGBH-HNNXBMFYSA-N 0 0 424.427 2.122 20 0 HEADRN Nc1nsc(N2CCN(C(=O)Nc3cnc(Cl)c(Br)c3)CC2)n1 ZINC000767903119 1080221584 /nfs/dbraw/zinc/22/15/84/1080221584.db2.gz NEYNSDIWBZRLIX-UHFFFAOYSA-N 0 0 418.708 2.285 20 0 HEADRN O=C(O[C@@H]1CCCN(c2ccccc2)C1=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000785714326 1080222525 /nfs/dbraw/zinc/22/25/25/1080222525.db2.gz MHRXVUVPCASORT-SLFFLAALSA-N 0 0 412.486 2.166 20 0 HEADRN CC(C)c1nnc(N(C)CCNS(C)(=O)=O)n1Cc1cc(-c2ccccc2)no1 ZINC001691695355 1080222574 /nfs/dbraw/zinc/22/25/74/1080222574.db2.gz CHVANFSQHLVLAP-UHFFFAOYSA-N 0 0 418.523 2.090 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)C1 ZINC000767906137 1080222891 /nfs/dbraw/zinc/22/28/91/1080222891.db2.gz KIDIIKWFTSELBJ-SJLPKXTDSA-N 0 0 417.506 2.324 20 0 HEADRN CC(=O)c1ccccc1OCCOC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000785715455 1080223089 /nfs/dbraw/zinc/22/30/89/1080223089.db2.gz AIUAFEJZDZNMPP-RTBURBONSA-N 0 0 401.459 2.252 20 0 HEADRN CN(c1nc(COC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)cs1)C1CC1 ZINC000785715210 1080223353 /nfs/dbraw/zinc/22/33/53/1080223353.db2.gz NKYPDGBEBDWCQJ-DLBZAZTESA-N 0 0 405.520 2.226 20 0 HEADRN COC(=O)c1ccc(F)c(COC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 ZINC000785717205 1080225333 /nfs/dbraw/zinc/22/53/33/1080225333.db2.gz DHNGSFGHUQIDQJ-IAGOWNOFSA-N 0 0 405.422 2.097 20 0 HEADRN CC(C)[C@@H](OC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)C(=O)N1CCC[C@@H](C)C1 ZINC000785716908 1080226278 /nfs/dbraw/zinc/22/62/78/1080226278.db2.gz PQGOZBKTEJLLMS-FUMNGEBKSA-N 0 0 420.550 2.254 20 0 HEADRN COCCN(CCNC(=O)c1ccc(C)c(S(C)(=O)=O)c1)C(=O)OC(C)(C)C ZINC000767928409 1080226956 /nfs/dbraw/zinc/22/69/56/1080226956.db2.gz LIYRDSQYGOGXHC-UHFFFAOYSA-N 0 0 414.524 2.012 20 0 HEADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000767928265 1080227366 /nfs/dbraw/zinc/22/73/66/1080227366.db2.gz ZHODELQUTCGOHD-DLBZAZTESA-N 0 0 405.495 2.228 20 0 HEADRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c(C)c1 ZINC000785717952 1080227503 /nfs/dbraw/zinc/22/75/03/1080227503.db2.gz OEIRFLMBZQGSBD-ZWKOTPCHSA-N 0 0 400.475 2.226 20 0 HEADRN CCn1c(C)cc(C(=O)COC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1C ZINC000785719411 1080228569 /nfs/dbraw/zinc/22/85/69/1080228569.db2.gz ORMNQNTTZQCZJW-QZTJIDSGSA-N 0 0 402.491 2.292 20 0 HEADRN O=C(OCc1noc(Cc2ccccc2)n1)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000785719266 1080228919 /nfs/dbraw/zinc/22/89/19/1080228919.db2.gz RXIKWQDCDJZKEK-QZTJIDSGSA-N 0 0 411.458 2.145 20 0 HEADRN COc1ccc(C(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)nc1Cl 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JKAMKWJQHXISTH-SFHVURJKSA-N 0 0 417.462 2.491 20 0 HEADRN Cc1cccc([C@H](O)CNC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000767937198 1080231830 /nfs/dbraw/zinc/23/18/30/1080231830.db2.gz PYOVPEAJOKAIFA-OAQYLSRUSA-N 0 0 400.498 2.289 20 0 HEADRN COc1ccc2c(c1)OC[C@H](NC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)C2 ZINC000767940015 1080234524 /nfs/dbraw/zinc/23/45/24/1080234524.db2.gz XVLKNJGGXHXQPS-LLVKDONJSA-N 0 0 416.377 2.117 20 0 HEADRN Cc1noc(C)c1C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1 ZINC000785758554 1080234762 /nfs/dbraw/zinc/23/47/62/1080234762.db2.gz DAUQSCMRPVPVSM-SFHVURJKSA-N 0 0 407.426 2.454 20 0 HEADRN C[C@H](NC(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)N1CCCC[C@H]1C ZINC000767939874 1080234976 /nfs/dbraw/zinc/23/49/76/1080234976.db2.gz SUFQDGSDYRTFPB-IXDOHACOSA-N 0 0 411.543 2.308 20 0 HEADRN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2cnc(-c3cccc(O)c3)nc2)C1 ZINC000767941605 1080235115 /nfs/dbraw/zinc/23/51/15/1080235115.db2.gz ABFLSVOSYVUNCP-INIZCTEOSA-N 0 0 400.435 2.424 20 0 HEADRN O=C(N[C@H](Cc1ccccc1)C(=O)OC[C@@H]1CC2(CCC2)C(=O)O1)c1cccnc1 ZINC000785760243 1080235575 /nfs/dbraw/zinc/23/55/75/1080235575.db2.gz LXKXFTWYBPQLQS-RBUKOAKNSA-N 0 0 408.454 2.452 20 0 HEADRN Cc1nnc(COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)n1C1CC1 ZINC000785760274 1080236068 /nfs/dbraw/zinc/23/60/68/1080236068.db2.gz MTLDGBWKAACPCG-LJQANCHMSA-N 0 0 405.458 2.401 20 0 HEADRN O=C(NCCc1cn2c(n1)SCC2)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000767942900 1080236322 /nfs/dbraw/zinc/23/63/22/1080236322.db2.gz UKJKQRKEXWEGQF-AWEZNQCLSA-N 0 0 416.425 2.463 20 0 HEADRN C[C@H]1CN(C(=O)NCCc2cn3c(n2)SCC3)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000767942881 1080236461 /nfs/dbraw/zinc/23/64/61/1080236461.db2.gz SXOQUBMFZFNNGY-ZFWWWQNUSA-N 0 0 409.556 2.476 20 0 HEADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000767945546 1080237092 /nfs/dbraw/zinc/23/70/92/1080237092.db2.gz FVVDSUOWMLOGDZ-INIZCTEOSA-N 0 0 415.494 2.217 20 0 HEADRN CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(C(C)(C)O)cc2)n(C)c1 ZINC000772671152 1080237352 /nfs/dbraw/zinc/23/73/52/1080237352.db2.gz JEYIXBMRVJRCOB-UHFFFAOYSA-N 0 0 407.536 2.213 20 0 HEADRN CCn1ncnc1CN1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000785768717 1080238951 /nfs/dbraw/zinc/23/89/51/1080238951.db2.gz PRLKVCNRUMFWCC-IAGOWNOFSA-N 0 0 420.558 2.026 20 0 HEADRN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 ZINC000767950164 1080239640 /nfs/dbraw/zinc/23/96/40/1080239640.db2.gz OYNUHUBRHAZQOR-QGZVFWFLSA-N 0 0 421.542 2.108 20 0 HEADRN CC(C)C(=O)N1CCCN(C(=O)CO[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000767951576 1080239923 /nfs/dbraw/zinc/23/99/23/1080239923.db2.gz MWCCMTNAORSJGZ-QGZVFWFLSA-N 0 0 411.543 2.119 20 0 HEADRN C[C@H](c1ccccc1)N1CCN(C(=O)COC(=O)c2ccc3c(c2)NC(=O)C3)CC1 ZINC000785773919 1080240062 /nfs/dbraw/zinc/24/00/62/1080240062.db2.gz CCRVWOKYHUBXHI-MRXNPFEDSA-N 0 0 407.470 2.243 20 0 HEADRN COc1cc(OC)c(CNC(=O)COC(=O)[C@@H]2COc3ccccc32)c(OC)c1 ZINC000785773760 1080240473 /nfs/dbraw/zinc/24/04/73/1080240473.db2.gz HIGVANIQGPJZCU-MRXNPFEDSA-N 0 0 401.415 2.048 20 0 HEADRN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)COC(=O)C1COC1 ZINC000785775674 1080240684 /nfs/dbraw/zinc/24/06/84/1080240684.db2.gz DSJREFBFHIVEAZ-UHFFFAOYSA-N 0 0 414.414 2.084 20 0 HEADRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2sc(SC(F)(F)F)nc2C)C1 ZINC000798177961 1080241214 /nfs/dbraw/zinc/24/12/14/1080241214.db2.gz VJPMLDUWPYSDRE-SECBINFHSA-N 0 0 417.500 2.146 20 0 HEADRN CNC(=O)Cn1nc(NC(=O)N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1C ZINC000767969048 1080241230 /nfs/dbraw/zinc/24/12/30/1080241230.db2.gz IRDBYSLMBPYLHV-LSDHHAIUSA-N 0 0 422.530 2.095 20 0 HEADRN O=C(OCCCCOC(=O)c1ccc2c(c1)NC(=O)C2)c1ccc2c(c1)NC(=O)C2 ZINC000785776781 1080241392 /nfs/dbraw/zinc/24/13/92/1080241392.db2.gz NRUSUYFDZYMHBN-UHFFFAOYSA-N 0 0 408.410 2.470 20 0 HEADRN COCCC(=O)N1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000767970113 1080241634 /nfs/dbraw/zinc/24/16/34/1080241634.db2.gz ILYCFIYHODQIEI-MRXNPFEDSA-N 0 0 418.321 2.354 20 0 HEADRN CC[C@@]1(C)CC(=O)N(CN2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3C)CC2)C1=O ZINC000767970534 1080241678 /nfs/dbraw/zinc/24/16/78/1080241678.db2.gz IYWVQNOVIYSQCQ-MBSDFSHPSA-N 0 0 415.534 2.348 20 0 HEADRN Cc1ccc2nc(-c3cccnc3)cc(C(=O)OCc3cc(=O)n(C)c(=O)n3C)c2c1 ZINC000785794896 1080241869 /nfs/dbraw/zinc/24/18/69/1080241869.db2.gz DLTPCNFFPPWWJO-UHFFFAOYSA-N 0 0 416.437 2.360 20 0 HEADRN CNC(=O)Cn1nc(NC(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1C ZINC000767970907 1080242125 /nfs/dbraw/zinc/24/21/25/1080242125.db2.gz LOUCBZPCBFNYGQ-OAHLLOKOSA-N 0 0 422.530 2.048 20 0 HEADRN O=C(NCc1ccc(OC(F)(F)F)cc1)C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000785781373 1080242222 /nfs/dbraw/zinc/24/22/22/1080242222.db2.gz LPAGHMWYQZCMJX-HNNXBMFYSA-N 0 0 416.396 2.393 20 0 HEADRN O=C(COC(=O)c1ccc2c(c1)NC(=O)C2)NCC1(c2ccccc2)CCOCC1 ZINC000785781827 1080243725 /nfs/dbraw/zinc/24/37/25/1080243725.db2.gz UOPGNMLOFROXKP-UHFFFAOYSA-N 0 0 408.454 2.203 20 0 HEADRN O=C1[C@@H](N2CCN(Cn3ccc(Br)n3)CC2)CCN1c1ccccc1 ZINC000767974357 1080243731 /nfs/dbraw/zinc/24/37/31/1080243731.db2.gz NTIRVSUFELXFMN-INIZCTEOSA-N 0 0 404.312 2.026 20 0 HEADRN O=C(NCCCOC[C@H]1CCCO1)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767974540 1080243888 /nfs/dbraw/zinc/24/38/88/1080243888.db2.gz XHDDCMDZTFMYQY-LLVKDONJSA-N 0 0 420.691 2.138 20 0 HEADRN Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2ccc3c(c2)NC(=O)C3)c(C)c1 ZINC000785781829 1080243787 /nfs/dbraw/zinc/24/37/87/1080243787.db2.gz URDCWMRAZRRBCU-UHFFFAOYSA-N 0 0 409.442 2.018 20 0 HEADRN COc1cc(-c2noc(COC(=O)CN3CCCCCC3=O)n2)cc(OC)c1OC ZINC000767975325 1080244319 /nfs/dbraw/zinc/24/43/19/1080244319.db2.gz CJZQTIGBMCORTP-UHFFFAOYSA-N 0 0 419.434 2.208 20 0 HEADRN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000785786313 1080245096 /nfs/dbraw/zinc/24/50/96/1080245096.db2.gz DOOFBLHKAXNVGI-CABCVRRESA-N 0 0 420.469 2.483 20 0 HEADRN COc1cc(-c2noc(COC(=O)[C@H](C)NC(=O)C(C)(C)C)n2)cc(OC)c1OC ZINC000767980588 1080246615 /nfs/dbraw/zinc/24/66/15/1080246615.db2.gz ASTNZJFBQGQPRP-NSHDSACASA-N 0 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Nn1c(SCC(=O)Nc2ccc(O)cc2)nnc1-c1cc(-c2ccccc2)n[nH]1 ZINC000768437878 1080558764 /nfs/dbraw/zinc/55/87/64/1080558764.db2.gz KQVLOSKAZVYXJG-UHFFFAOYSA-N 0 0 407.459 2.485 20 0 HEADRN C[C@H](Sc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N)c1nc(-c2nc[nH]n2)no1 ZINC000768437852 1080558916 /nfs/dbraw/zinc/55/89/16/1080558916.db2.gz JQXPWYWDPOVONI-VIFPVBQESA-N 0 0 421.450 2.070 20 0 HEADRN Cc1cc(-c2nnc(SCC(=O)N(C)Cc3c(F)cccc3Cl)n2N)n[nH]1 ZINC000768437459 1080559307 /nfs/dbraw/zinc/55/93/07/1080559307.db2.gz ZATPONJJCKAMKE-UHFFFAOYSA-N 0 0 409.878 2.234 20 0 HEADRN C[C@@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1nc(C(F)(F)F)cs1 ZINC000786318713 1080560406 /nfs/dbraw/zinc/56/04/06/1080560406.db2.gz KHYFYQYNZIYRDP-SKDRFNHKSA-N 0 0 411.409 2.459 20 0 HEADRN O=C(NCCOc1cccnc1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000786318628 1080560422 /nfs/dbraw/zinc/56/04/22/1080560422.db2.gz GIPPPKOCSUVEFE-UHFFFAOYSA-N 0 0 400.179 2.256 20 0 HEADRN Cc1cccc(-c2nnc(SC[C@H](O)c3ccc(S(C)(=O)=O)cc3)n2N)c1 ZINC000768439565 1080560724 /nfs/dbraw/zinc/56/07/24/1080560724.db2.gz QWNDKQUBZYZVAY-INIZCTEOSA-N 0 0 404.517 2.197 20 0 HEADRN C[C@@](O)(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)n1)c1ccc(F)cc1F ZINC000786319478 1080560809 /nfs/dbraw/zinc/56/08/09/1080560809.db2.gz PAMDRPRSQSMZOZ-MRXNPFEDSA-N 0 0 403.307 2.341 20 0 HEADRN CN(CC(F)(F)F)C(=O)CSc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N ZINC000768440496 1080561849 /nfs/dbraw/zinc/56/18/49/1080561849.db2.gz LLEXEHVUIWONDD-UHFFFAOYSA-N 0 0 411.413 2.162 20 0 HEADRN Cc1n[nH]c(C)c1[C@@H](C)C(=O)OCC(=O)N1CCC(C(=O)NCCC(C)C)CC1 ZINC000786326266 1080563405 /nfs/dbraw/zinc/56/34/05/1080563405.db2.gz QWCQNQKOIHTFFP-CQSZACIVSA-N 0 0 406.527 2.074 20 0 HEADRN CN1C[C@@H](C(=O)Oc2cccc(NC(=O)CN3CCCC3=O)c2)c2ccccc2C1=O ZINC000786327319 1080563683 /nfs/dbraw/zinc/56/36/83/1080563683.db2.gz XXACKIIAOPPCJJ-LJQANCHMSA-N 0 0 421.453 2.022 20 0 HEADRN CCc1cc(CNC(=O)C(=O)Nc2ccc(CN(C)C)c(Br)c2)[nH]n1 ZINC000786329506 1080564427 /nfs/dbraw/zinc/56/44/27/1080564427.db2.gz BRVOFPOBRILANJ-UHFFFAOYSA-N 0 0 408.300 2.051 20 0 HEADRN CC(C)Oc1cccc(-c2nnc(S[C@@H](C)c3nc(-c4nc[nH]n4)no3)n2N)c1 ZINC000768444425 1080564681 /nfs/dbraw/zinc/56/46/81/1080564681.db2.gz MGTYQWVCIBSEAW-JTQLQIEISA-N 0 0 413.467 2.468 20 0 HEADRN COC(=O)CCc1cccc(NC(=O)C(=O)NCCCc2nc3ccccc3[nH]2)c1 ZINC000786330988 1080564958 /nfs/dbraw/zinc/56/49/58/1080564958.db2.gz CCVXFPMKWXGVFT-UHFFFAOYSA-N 0 0 408.458 2.356 20 0 HEADRN O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NCc1nnc(C2CC2)n1C1CC1 ZINC000768446002 1080564988 /nfs/dbraw/zinc/56/49/88/1080564988.db2.gz BTDHNSBXUMEXBK-ACCUITESSA-N 0 0 415.519 2.087 20 0 HEADRN COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)C12CC(C(F)(F)F)(C1)C2 ZINC000786330325 1080565298 /nfs/dbraw/zinc/56/52/98/1080565298.db2.gz GKPCMDPTKJHGRE-UHFFFAOYSA-N 0 0 414.380 2.334 20 0 HEADRN CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)Sc2nnc(-c3cccc(C)c3)n2N)C1 ZINC000768446751 1080565420 /nfs/dbraw/zinc/56/54/20/1080565420.db2.gz AWIHZWPUYNIBRV-HOCLYGCPSA-N 0 0 417.535 2.250 20 0 HEADRN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)C23CC(C(F)(F)F)(C2)C3)c1 ZINC000786331435 1080565636 /nfs/dbraw/zinc/56/56/36/1080565636.db2.gz LSLPSRQVJLYPOH-UHFFFAOYSA-N 0 0 420.409 2.151 20 0 HEADRN O=C(N[C@@H](CCO)C1CCOCC1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000768448101 1080565980 /nfs/dbraw/zinc/56/59/80/1080565980.db2.gz PCOJHSRJHWTVEF-PMACEKPBSA-N 0 0 404.507 2.329 20 0 HEADRN C[C@H](C[S@](C)=O)N(C)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000768447412 1080566399 /nfs/dbraw/zinc/56/63/99/1080566399.db2.gz NPMBEDFVPPDMPO-JNDILOIQSA-N 0 0 408.973 2.256 20 0 HEADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)[C@]2(O)CCc3ccccc3C2)CCO1 ZINC000786333419 1080566458 /nfs/dbraw/zinc/56/64/58/1080566458.db2.gz PPFNHUSMDJBCGO-VPKVUBIPSA-N 0 0 404.507 2.047 20 0 HEADRN C[C@H](C[S@@](C)=O)N(C)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000768447416 1080566551 /nfs/dbraw/zinc/56/65/51/1080566551.db2.gz NPMBEDFVPPDMPO-YDGUKXNOSA-N 0 0 408.973 2.256 20 0 HEADRN CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2cccc(C)c2)n1N ZINC000768450037 1080566987 /nfs/dbraw/zinc/56/69/87/1080566987.db2.gz PVJBGONETDFVHW-SFHVURJKSA-N 0 0 409.515 2.376 20 0 HEADRN Cc1cccc(-c2nnc(S[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)n2N)c1 ZINC000768451704 1080568271 /nfs/dbraw/zinc/56/82/71/1080568271.db2.gz WMDRAJBELYICFG-CYBMUJFWSA-N 0 0 408.487 2.433 20 0 HEADRN CN(Cc1ccc(F)cc1F)C(=O)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000786357383 1080568814 /nfs/dbraw/zinc/56/88/14/1080568814.db2.gz UNKDYASLDCAKHM-UHFFFAOYSA-N 0 0 415.440 2.476 20 0 HEADRN Cc1ccc(NC(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1N1CCNC1=O ZINC000786359153 1080569124 /nfs/dbraw/zinc/56/91/24/1080569124.db2.gz LKHGNUYMKQJFIH-QAPCUYQASA-N 0 0 412.494 2.236 20 0 HEADRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCC(=O)Nc1ccccc1S(N)(=O)=O ZINC000786359265 1080569427 /nfs/dbraw/zinc/56/94/27/1080569427.db2.gz MTVSNJDLLNYHGE-DZKIICNBSA-N 0 0 412.508 2.190 20 0 HEADRN CCCCN(C(=O)COC(=O)c1cc2cc(OC)ccc2[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000786360027 1080569485 /nfs/dbraw/zinc/56/94/85/1080569485.db2.gz GHBOJROJOYHAEV-HNNXBMFYSA-N 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COc1ccc2[nH]c(C(=O)OCCN3C(=O)c4ccccc4S3(=O)=O)cc2c1 ZINC000786364877 1080571185 /nfs/dbraw/zinc/57/11/85/1080571185.db2.gz YDTBRRXPXFRDLB-UHFFFAOYSA-N 0 0 400.412 2.178 20 0 HEADRN Cc1nnc(-c2ccccc2C(=O)OCC(=O)NC[C@@H]2COc3ccccc3O2)o1 ZINC000786365754 1080571768 /nfs/dbraw/zinc/57/17/68/1080571768.db2.gz LEWMQFUPOOCVHT-CQSZACIVSA-N 0 0 409.398 2.158 20 0 HEADRN CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000768420214 1080572482 /nfs/dbraw/zinc/57/24/82/1080572482.db2.gz LWROHMSYBKJKFB-INIZCTEOSA-N 0 0 410.392 2.234 20 0 HEADRN CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)OC(=O)c2cnc(C3CCCC3)nc2N)C1 ZINC000772683836 1080573162 /nfs/dbraw/zinc/57/31/62/1080573162.db2.gz KTPZWLKOICKHJU-ZFWWWQNUSA-N 0 0 418.494 2.063 20 0 HEADRN NC(=O)COc1cccc(COC(=O)c2cnn(-c3ccncc3)c2C(F)F)c1 ZINC000786368246 1080573516 /nfs/dbraw/zinc/57/35/16/1080573516.db2.gz QMXDYVDWNAKRIH-UHFFFAOYSA-N 0 0 402.357 2.426 20 0 HEADRN C[C@H]1[C@H](C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)CCN1C(=O)OC(C)(C)C ZINC000786372817 1080575334 /nfs/dbraw/zinc/57/53/34/1080575334.db2.gz JEYAUTBUHLEBDA-GXTWGEPZSA-N 0 0 416.496 2.219 20 0 HEADRN O=C(c1ccc(-n2cnc3ccccc32)nc1)N1CCC(N2CCCNC2=O)CC1 ZINC000768478934 1080575370 /nfs/dbraw/zinc/57/53/70/1080575370.db2.gz PXJNLGKACAWDRX-UHFFFAOYSA-N 0 0 404.474 2.440 20 0 HEADRN COC(=O)Nc1cc(NC(=O)c2nccc3c2cccc3S(N)(=O)=O)ccc1F ZINC000768480025 1080575650 /nfs/dbraw/zinc/57/56/50/1080575650.db2.gz WUHDLQQFQZCONF-UHFFFAOYSA-N 0 0 418.406 2.452 20 0 HEADRN CN(C)S(=O)(=O)c1cccc(NC(=S)N[C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000768479559 1080575730 /nfs/dbraw/zinc/57/57/30/1080575730.db2.gz HBHNVZONNNEZTH-WMLDXEAASA-N 0 0 415.606 2.278 20 0 HEADRN CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccccc2-c2nnc(C)o2)CC1 ZINC000786373259 1080575966 /nfs/dbraw/zinc/57/59/66/1080575966.db2.gz ZSDQZJMWZPURRI-ZDUSSCGKSA-N 0 0 415.446 2.392 20 0 HEADRN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)CCC(=O)Nc2nnc(C(C)C)s2)C1 ZINC000804368047 1080576232 /nfs/dbraw/zinc/57/62/32/1080576232.db2.gz YHMXMSJKSQGOEE-HNNXBMFYSA-N 0 0 422.429 2.334 20 0 HEADRN O=C(NCc1ccc(C(=O)N2CCCC2)cc1)C(=O)NCc1ccc(F)cc1F ZINC000786374902 1080576220 /nfs/dbraw/zinc/57/62/20/1080576220.db2.gz CKXXLTKFEDDJEH-UHFFFAOYSA-N 0 0 401.413 2.133 20 0 HEADRN CC(=O)[C@H](Cc1ccccc1F)OC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000768480450 1080576242 /nfs/dbraw/zinc/57/62/42/1080576242.db2.gz WLTYENAGPQTLKM-JRQSSSKMSA-N 0 0 404.438 2.370 20 0 HEADRN COC(=O)N(C)c1ccc(NC(=O)c2nccc3c2cccc3S(N)(=O)=O)cc1 ZINC000768482224 1080576459 /nfs/dbraw/zinc/57/64/59/1080576459.db2.gz UTPROGZGTTYPFV-UHFFFAOYSA-N 0 0 414.443 2.337 20 0 HEADRN COc1cc(C)cc(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000786375740 1080576725 /nfs/dbraw/zinc/57/67/25/1080576725.db2.gz GCNYHDZKVVCEDR-UHFFFAOYSA-N 0 0 409.486 2.172 20 0 HEADRN O=C1NC2(CCC3(CC2)OCCO3)C(=O)N1C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000768484046 1080577525 /nfs/dbraw/zinc/57/75/25/1080577525.db2.gz YBXDBIJQIPPEOI-CQSZACIVSA-N 0 0 414.380 2.347 20 0 HEADRN O=C(NCCCOC1CCCC1)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000786379949 1080578865 /nfs/dbraw/zinc/57/88/65/1080578865.db2.gz WALADPHPTIKLDJ-UHFFFAOYSA-N 0 0 401.507 2.004 20 0 HEADRN COC(=O)CCc1cccc(NC(=O)C(=O)NCC[C@H]2COc3ccccc3O2)c1 ZINC000786383986 1080579872 /nfs/dbraw/zinc/57/98/72/1080579872.db2.gz DRDSGYXVBVXXFG-KRWDZBQOSA-N 0 0 412.442 2.077 20 0 HEADRN COC(=O)c1ccc(C(=O)COC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000768456888 1080580157 /nfs/dbraw/zinc/58/01/57/1080580157.db2.gz AWFHHGKKZATOBC-UHFFFAOYSA-N 0 0 405.428 2.193 20 0 HEADRN Cc1ccc(Br)nc1C(=O)OCC(=O)NC(=O)NCc1cccs1 ZINC000786384744 1080580238 /nfs/dbraw/zinc/58/02/38/1080580238.db2.gz IQWCSHGORKXMAG-UHFFFAOYSA-N 0 0 412.265 2.397 20 0 HEADRN Cc1cc2c(cc1C)O[C@H](C(=O)OCC(=O)Nc1cccc(S(C)(=O)=O)c1)C2 ZINC000786383587 1080580393 /nfs/dbraw/zinc/58/03/93/1080580393.db2.gz IQQLMVVXHNVZBH-SFHVURJKSA-N 0 0 403.456 2.192 20 0 HEADRN Cc1nnc(-c2ccccc2C(=O)OCC(=O)NC(=O)NCc2cccs2)o1 ZINC000786386867 1080581443 /nfs/dbraw/zinc/58/14/43/1080581443.db2.gz VMLOQYDOUVFSMB-UHFFFAOYSA-N 0 0 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COC(=O)c1ccc2c(c1)CN(CN1C(=O)C(=O)N([C@@H](C)c3ccccc3)C1=O)CC2 ZINC000770651031 1078938513 /nfs/dbraw/zinc/93/85/13/1078938513.db2.gz HXKFEYXHTJBMGZ-HNNXBMFYSA-N 0 0 421.453 2.341 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000804268364 1078938855 /nfs/dbraw/zinc/93/88/55/1078938855.db2.gz MCDRLTHKXAHNPO-IAGOWNOFSA-N 0 0 417.506 2.012 20 0 HEADRN CCOC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)nc2)cc1 ZINC000766375119 1078941966 /nfs/dbraw/zinc/94/19/66/1078941966.db2.gz OBNGEPCHTGOZNX-UHFFFAOYSA-N 0 0 406.236 2.276 20 0 HEADRN COc1cccc(NC(=O)C(=O)N2CCN(c3ncnc4sccc43)CC2)c1F ZINC000770721067 1078948626 /nfs/dbraw/zinc/94/86/26/1078948626.db2.gz PCVIHKZCKYIYGG-UHFFFAOYSA-N 0 0 415.450 2.126 20 0 HEADRN CN(C)C(=O)c1cccc(OS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)c1 ZINC000770658345 1078942788 /nfs/dbraw/zinc/94/27/88/1078942788.db2.gz RQIWHPLWUAZTNW-UHFFFAOYSA-N 0 0 423.921 2.275 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc2c(n1)CCCC2 ZINC000804269362 1078943937 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COCCN(CC(=O)N1CCN(Cc2cccc(F)c2)CC1)C(=O)OC(C)(C)C ZINC000766396752 1078950412 /nfs/dbraw/zinc/95/04/12/1078950412.db2.gz HJKNEFRVCVLNPL-UHFFFAOYSA-N 0 0 409.502 2.353 20 0 HEADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)C1CCCC1 ZINC000770724845 1078951341 /nfs/dbraw/zinc/95/13/41/1078951341.db2.gz UYGWKODFDXFIML-HNNXBMFYSA-N 0 0 417.572 2.194 20 0 HEADRN Cc1noc(C)c1CCCNS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000770692214 1078960874 /nfs/dbraw/zinc/96/08/74/1078960874.db2.gz HZJWTXCZCYZVKH-UHFFFAOYSA-N 0 0 412.942 2.321 20 0 HEADRN Cc1nn(CC(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1-c1ccccc1 ZINC000766398105 1078951438 /nfs/dbraw/zinc/95/14/38/1078951438.db2.gz IMECNOQJKJYKLO-UHFFFAOYSA-N 0 0 412.515 2.094 20 0 HEADRN C[C@@H]1[C@H](C)N(S(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)CCN1C ZINC000770724601 1078951865 /nfs/dbraw/zinc/95/18/65/1078951865.db2.gz WOBKPXSETKYZEL-MSOLQXFVSA-N 0 0 423.579 2.389 20 0 HEADRN COc1ccc(NC(=O)C(=O)NCc2ccc(-n3ccnc3C)nc2)c2ncccc12 ZINC000770726013 1078952507 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COC(=O)C1=NOC2(C1)CCN(C(=O)COCc1nc3ccccc3s1)CC2 ZINC000771459645 1079334437 /nfs/dbraw/zinc/33/44/37/1079334437.db2.gz YUHGJVATNZTUNK-UHFFFAOYSA-N 0 0 403.460 2.123 20 0 HEADRN CC[C@@H](NC(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)[C@H](O)c1c(F)cccc1F ZINC000771462583 1079336286 /nfs/dbraw/zinc/33/62/86/1079336286.db2.gz UXQQLXHGHNEOIP-AEFFLSMTSA-N 0 0 417.416 2.483 20 0 HEADRN CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCCC2(O)CCOCC2)C1(C)C ZINC000804332142 1079336679 /nfs/dbraw/zinc/33/66/79/1079336679.db2.gz HNXLKOKFKOPKSO-BTYIYWSLSA-N 0 0 414.543 2.133 20 0 HEADRN O=C(OCc1ccccc1)N1CCCC[C@@H]1C(=O)N1CCO[C@H](c2ncon2)C1 ZINC000771464246 1079336807 /nfs/dbraw/zinc/33/68/07/1079336807.db2.gz ISLOFTLBSBBZKC-SJORKVTESA-N 0 0 400.435 2.161 20 0 HEADRN Cc1cc(Br)cc2c(C(=O)N3CCC(C(=O)NCCO)CC3)coc21 ZINC000771426715 1079337693 /nfs/dbraw/zinc/33/76/93/1079337693.db2.gz HWXYOCLUAKLKCU-UHFFFAOYSA-N 0 0 409.280 2.464 20 0 HEADRN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)C1 ZINC000771435433 1079342572 /nfs/dbraw/zinc/34/25/72/1079342572.db2.gz RSBKHFWRQPLTNQ-QWHCGFSZSA-N 0 0 424.448 2.379 20 0 HEADRN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)OC[C@H]2Cc3ccccc3O2)C1=O ZINC000771428014 1079338221 /nfs/dbraw/zinc/33/82/21/1079338221.db2.gz JPINICFRZLSBEF-QRQCRPRQSA-N 0 0 410.426 2.009 20 0 HEADRN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)O[C@@H](C)C(=O)c2ccccc2)C1=O ZINC000771427732 1079338616 /nfs/dbraw/zinc/33/86/16/1079338616.db2.gz HVFWXGZAYMWUEG-RCDICMHDSA-N 0 0 410.426 2.277 20 0 HEADRN O=C(NOCC(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000766759737 1079342555 /nfs/dbraw/zinc/34/25/55/1079342555.db2.gz ZZUQJJHHGXIHRO-SNVBAGLBSA-N 0 0 416.805 2.021 20 0 HEADRN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(N2CCCC2=O)cc1 ZINC000766757855 1079339154 /nfs/dbraw/zinc/33/91/54/1079339154.db2.gz KGWQRRJFFAVKMK-UHFFFAOYSA-N 0 0 424.862 2.099 20 0 HEADRN CC1(C2CCN(C(=O)N[C@H]3CC(=O)N(c4c(F)cccc4F)C3)CC2)OCCO1 ZINC000771436020 1079342606 /nfs/dbraw/zinc/34/26/06/1079342606.db2.gz 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COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)O[C@H](C)c2nc(C(C)C)no2)C1=O ZINC000771434383 1079342147 /nfs/dbraw/zinc/34/21/47/1079342147.db2.gz CTLCOISZOFWDDO-ODXCJYRJSA-N 0 0 416.434 2.273 20 0 HEADRN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)OCc2cccnc2Cl)C1=O ZINC000771438673 1079344836 /nfs/dbraw/zinc/34/48/36/1079344836.db2.gz ONTVOFSXBPHDRX-IBGZPJMESA-N 0 0 403.822 2.254 20 0 HEADRN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)OCc2cc(F)ccc2F)C1=O ZINC000771439852 1079344903 /nfs/dbraw/zinc/34/49/03/1079344903.db2.gz SKFLACQYFBTYAC-HXUWFJFHSA-N 0 0 404.369 2.484 20 0 HEADRN CC(C)(C)OC(=O)N1CCC(C(F)(F)C(=O)NCCC2(O)CCOCC2)CC1 ZINC000804330654 1079345476 /nfs/dbraw/zinc/34/54/76/1079345476.db2.gz BERNGIZDYRSEGN-UHFFFAOYSA-N 0 0 406.470 2.317 20 0 HEADRN CN(CCO)c1ccc(NC(=O)CNC(=O)c2ccc(Br)cc2)cc1 ZINC000771440623 1079346098 /nfs/dbraw/zinc/34/60/98/1079346098.db2.gz NWXLMJJROCGGCZ-UHFFFAOYSA-N 0 0 406.280 2.246 20 0 HEADRN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCCOc2ccccc2)C1=O ZINC000771443343 1079346398 /nfs/dbraw/zinc/34/63/98/1079346398.db2.gz AUHPWHGZGVVTSP-QFIPXVFZSA-N 0 0 412.442 2.393 20 0 HEADRN CCCC[C@H](NC(=O)NCC)C(=O)Oc1ccc(NC(=O)c2cnn(C)c2)cc1 ZINC000771442844 1079346437 /nfs/dbraw/zinc/34/64/37/1079346437.db2.gz UGZYMKMRVJNSOQ-KRWDZBQOSA-N 0 0 401.467 2.456 20 0 HEADRN CCc1nnc([C@@H](C)OC(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)o1 ZINC000771443375 1079346453 /nfs/dbraw/zinc/34/64/53/1079346453.db2.gz AVVLDYBWIFEHFF-ODXCJYRJSA-N 0 0 416.434 2.020 20 0 HEADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1(O)CCOCC1 ZINC000804332111 1079346457 /nfs/dbraw/zinc/34/64/57/1079346457.db2.gz HLEZBPLTUWVKHS-KRWDZBQOSA-N 0 0 408.495 2.309 20 0 HEADRN Cc1cn(-c2ccccc2)nc1C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000771445181 1079346871 /nfs/dbraw/zinc/34/68/71/1079346871.db2.gz MOWHJHISQSENIO-UHFFFAOYSA-N 0 0 405.458 2.358 20 0 HEADRN COc1ccccc1C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000771446204 1079347262 /nfs/dbraw/zinc/34/72/62/1079347262.db2.gz FSCCCIXDNYZMAZ-GJZGRUSLSA-N 0 0 405.495 2.281 20 0 HEADRN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NCC(=O)c3cccc(F)c3F)cc12 ZINC001169622823 1079348018 /nfs/dbraw/zinc/34/80/18/1079348018.db2.gz RPDIVEZAHXNCJB-JTQLQIEISA-N 0 0 420.441 2.339 20 0 HEADRN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N(C)C)nc3)C2)cc1 ZINC000771467802 1079348024 /nfs/dbraw/zinc/34/80/24/1079348024.db2.gz CJBIUEGGTKSAJW-LJQANCHMSA-N 0 0 416.547 2.381 20 0 HEADRN C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ncc[nH]2)C1=O ZINC000771446274 1079348031 /nfs/dbraw/zinc/34/80/31/1079348031.db2.gz ROPOPJRCGCIFHG-LIRRHRJNSA-N 0 0 419.844 2.333 20 0 HEADRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NOCC(F)(F)F)CC2)cc1 ZINC000766767231 1079348127 /nfs/dbraw/zinc/34/81/27/1079348127.db2.gz FRQWLXJOMWHGAA-UHFFFAOYSA-N 0 0 410.414 2.096 20 0 HEADRN CN1CCOC[C@@H]1CNc1nccc(I)c1C(F)(F)F ZINC001169653388 1079356633 /nfs/dbraw/zinc/35/66/33/1079356633.db2.gz IDBRFDSADGXBPF-QMMMGPOBSA-N 0 0 401.170 2.448 20 0 HEADRN O=C(CNC(=O)c1ccccc1OC(F)F)Nc1ccc(-n2ccc(=O)cc2)nc1 ZINC000771471927 1079349844 /nfs/dbraw/zinc/34/98/44/1079349844.db2.gz UBKSOKIMDTYOHR-UHFFFAOYSA-N 0 0 414.368 2.202 20 0 HEADRN COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2ncon2)C1 ZINC000771471718 1079350072 /nfs/dbraw/zinc/35/00/72/1079350072.db2.gz CHSVTZYUVWPWRP-HZPDHXFCSA-N 0 0 418.450 2.244 20 0 HEADRN C[C@H](OC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)NC[C@H]1CCCO1 ZINC000766770077 1079350078 /nfs/dbraw/zinc/35/00/78/1079350078.db2.gz VETITZSVNRUACE-QXAKKESOSA-N 0 0 418.490 2.262 20 0 HEADRN O=C(OCc1ccccc1)N1CCC[C@H](C(=O)N2CCO[C@H](c3ncon3)C2)C1 ZINC000771471507 1079350447 /nfs/dbraw/zinc/35/04/47/1079350447.db2.gz BIJJKQGLUIGUPH-IRXDYDNUSA-N 0 0 400.435 2.018 20 0 HEADRN CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCc2cccc(C(F)(F)F)c2)CC1 ZINC000766770814 1079351386 /nfs/dbraw/zinc/35/13/86/1079351386.db2.gz LVSAUWJYWJCWHT-CYBMUJFWSA-N 0 0 400.397 2.260 20 0 HEADRN COCCNS(=O)(=O)c1cccc(-c2nc(Cc3ccc4c[nH]nc4c3)no2)c1 ZINC000771490943 1079356826 /nfs/dbraw/zinc/35/68/26/1079356826.db2.gz PYMKAQNYJGKJSR-UHFFFAOYSA-N 0 0 413.459 2.128 20 0 HEADRN O=C(Nc1ccc(Br)cc1-c1nn[nH]n1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC001169612532 1079351835 /nfs/dbraw/zinc/35/18/35/1079351835.db2.gz XHMVZTICDLZNCO-AWEZNQCLSA-N 0 0 414.219 2.349 20 0 HEADRN C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N[C@H](CCO)c2ccco2)C1=O ZINC000771474858 1079352082 /nfs/dbraw/zinc/35/20/82/1079352082.db2.gz DFEOUGQQYWGYFN-KUHUBIRLSA-N 0 0 423.828 2.079 20 0 HEADRN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCCCNc2ccccc2)C1=O ZINC000771474417 1079352461 /nfs/dbraw/zinc/35/24/61/1079352461.db2.gz NBSAXLMXPFSGRL-QFIPXVFZSA-N 0 0 410.474 2.081 20 0 HEADRN CC1(C)C[C@@H]1CNC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000771490056 1079357014 /nfs/dbraw/zinc/35/70/14/1079357014.db2.gz HKSZRYIXYCUQTL-KZULUSFZSA-N 0 0 408.296 2.378 20 0 HEADRN CC[C@H](C)[C@H](NC(=O)COC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)C(=O)OC ZINC000766771845 1079354322 /nfs/dbraw/zinc/35/43/22/1079354322.db2.gz QTMZJWDLFQARCG-JKFAMXTESA-N 0 0 401.381 2.455 20 0 HEADRN CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(NC[C@H]2COCCN2C)ncn1 ZINC001169654116 1079357104 /nfs/dbraw/zinc/35/71/04/1079357104.db2.gz VMSSAQITWFMKMG-XOAFGZPJSA-N 0 0 414.462 2.172 20 0 HEADRN C[C@H](c1ccccc1)[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000771484988 1079355047 /nfs/dbraw/zinc/35/50/47/1079355047.db2.gz LFGJNBSOIDKIJB-DYVFJYSZSA-N 0 0 410.923 2.485 20 0 HEADRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCC(=O)c1cc(Cl)ccc1F ZINC001169649429 1079355252 /nfs/dbraw/zinc/35/52/52/1079355252.db2.gz YMSCHTUCWLJYEH-HIFRSBDPSA-N 0 0 400.834 2.460 20 0 HEADRN CC(C)CC(=O)N1CCC(NC(=O)N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)CC1 ZINC000766775783 1079357352 /nfs/dbraw/zinc/35/73/52/1079357352.db2.gz JAKNJIOXQOHWOW-OALUTQOASA-N 0 0 405.543 2.055 20 0 HEADRN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NC2(CF)CCOCC2)C1=O ZINC001129341189 1079355701 /nfs/dbraw/zinc/35/57/01/1079355701.db2.gz WURJQKIWVNYMKH-OAQYLSRUSA-N 0 0 413.449 2.242 20 0 HEADRN Cn1ncc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1C1CC1 ZINC000771486489 1079355945 /nfs/dbraw/zinc/35/59/45/1079355945.db2.gz LQNFVOLKSUPPFC-AWEZNQCLSA-N 0 0 406.483 2.476 20 0 HEADRN Cc1ccccc1CN(Cc1cccnc1)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000766774584 1079356155 /nfs/dbraw/zinc/35/61/55/1079356155.db2.gz ASEHARWDZGBLRP-UHFFFAOYSA-N 0 0 417.531 2.476 20 0 HEADRN COc1ccc(-n2ccc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)n2)cc1 ZINC001169657003 1079357884 /nfs/dbraw/zinc/35/78/84/1079357884.db2.gz IHGFNGGJLOXXJQ-MRXNPFEDSA-N 0 0 418.494 2.181 20 0 HEADRN CN(C[C@@H](O)CN(C)C(=O)c1ccc(NC(=O)C2CC2)s1)C(=O)OC(C)(C)C ZINC001169657483 1079357900 /nfs/dbraw/zinc/35/79/00/1079357900.db2.gz MNSCZEZPZJHGTH-ZDUSSCGKSA-N 0 0 411.524 2.396 20 0 HEADRN COCC(=O)Nc1ccc(OC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000771493998 1079358092 /nfs/dbraw/zinc/35/80/92/1079358092.db2.gz OREDOKLZPPWHKZ-WYMLVPIESA-N 0 0 418.471 2.157 20 0 HEADRN Cc1c(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)cnn1-c1ccccc1 ZINC001169658029 1079358619 /nfs/dbraw/zinc/35/86/19/1079358619.db2.gz QNGBMUSHYRBXQG-QGZVFWFLSA-N 0 0 402.495 2.481 20 0 HEADRN CC(C)n1ncc2cc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)cnc21 ZINC001169658403 1079358655 /nfs/dbraw/zinc/35/86/55/1079358655.db2.gz ULOKMUUXAGUMJN-MRXNPFEDSA-N 0 0 405.499 2.312 20 0 HEADRN CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)Nc1cnn(C)c1C1CC1 ZINC000771498918 1079359567 /nfs/dbraw/zinc/35/95/67/1079359567.db2.gz NFQJMAHQEBKQMW-HIFRSBDPSA-N 0 0 405.543 2.462 20 0 HEADRN COc1ccc(C(=O)OCC(=O)CCN2C(=O)c3ccccc3C2=O)nc1Cl ZINC000766777937 1079359884 /nfs/dbraw/zinc/35/98/84/1079359884.db2.gz JRZOMJNOXNEERX-UHFFFAOYSA-N 0 0 402.790 2.156 20 0 HEADRN COc1ccc(C(=O)OCC(=O)NCc2cccc(C(=O)NC3CC3)c2)nc1Cl ZINC000766778098 1079360080 /nfs/dbraw/zinc/36/00/80/1079360080.db2.gz MGYMPSNSLPWZQJ-UHFFFAOYSA-N 0 0 417.849 2.109 20 0 HEADRN COc1ccc(CCN2C[C@H](C(=O)N3CCC[C@H]3c3ncc[nH]3)CC2=O)cc1OC ZINC000771499514 1079360150 /nfs/dbraw/zinc/36/01/50/1079360150.db2.gz WKKFGISRYQSIEV-SJORKVTESA-N 0 0 412.490 2.182 20 0 HEADRN Cn1c2cc(F)ccc2nc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000766778930 1079361703 /nfs/dbraw/zinc/36/17/03/1079361703.db2.gz OIYQASGSTWESDJ-NRFANRHFSA-N 0 0 407.405 2.044 20 0 HEADRN CN(C[C@H](O)CN(C)C(=O)c1ccncc1Br)C(=O)OC(C)(C)C ZINC001169666933 1079362476 /nfs/dbraw/zinc/36/24/76/1079362476.db2.gz SQTJBMUSILJAJU-LLVKDONJSA-N 0 0 402.289 2.144 20 0 HEADRN COC(=O)Nc1ccc(NC(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1 ZINC000771467167 1079362607 /nfs/dbraw/zinc/36/26/07/1079362607.db2.gz OEUZIGRXBROGGI-ZDUSSCGKSA-N 0 0 410.438 2.045 20 0 HEADRN CCNS(=O)(=O)[C@@H]1CCN(Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000771466567 1079362694 /nfs/dbraw/zinc/36/26/94/1079362694.db2.gz JCOOCQPJQCQIAT-SECBINFHSA-N 0 0 421.342 2.074 20 0 HEADRN CCN(c1ccc(NC(=O)Cn2nc(C(=O)OC)cc2C(=O)OC)cc1)C(C)C ZINC000766778658 1079362844 /nfs/dbraw/zinc/36/28/44/1079362844.db2.gz RCYVBMGFWJVYJO-UHFFFAOYSA-N 0 0 402.451 2.330 20 0 HEADRN O=C(CN1CCN2CCOc3cccc1c32)NCc1ccc(N2CCCC2=O)cc1 ZINC000771468069 1079363073 /nfs/dbraw/zinc/36/30/73/1079363073.db2.gz UEIGCCKACFIBNO-UHFFFAOYSA-N 0 0 406.486 2.149 20 0 HEADRN COC(=O)Nc1cccc(OS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)c1 ZINC000766780582 1079363276 /nfs/dbraw/zinc/36/32/76/1079363276.db2.gz ZAZKEFCHFRBVFZ-UHFFFAOYSA-N 0 0 414.823 2.150 20 0 HEADRN C[C@H](COc1ccccc1)NC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000771545768 1079363392 /nfs/dbraw/zinc/36/33/92/1079363392.db2.gz MRBLILFHVYRVPC-AEFFLSMTSA-N 0 0 423.469 2.161 20 0 HEADRN COC(=O)Nc1ccc(OS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)cc1 ZINC000766780185 1079363662 /nfs/dbraw/zinc/36/36/62/1079363662.db2.gz VOLJJTHHQVLDTP-UHFFFAOYSA-N 0 0 414.823 2.150 20 0 HEADRN CC(C)OCc1noc(CN2CCNC(=O)[C@H]2c2ccc(Br)cc2)n1 ZINC001169677010 1079364442 /nfs/dbraw/zinc/36/44/42/1079364442.db2.gz VKGSLAIRFOAZTA-MRXNPFEDSA-N 0 0 409.284 2.430 20 0 HEADRN CC(C)(C)OC(=O)N1CC(CCC(=O)N2CCN(CCc3ccncc3)CC2)C1 ZINC001169679683 1079365855 /nfs/dbraw/zinc/36/58/55/1079365855.db2.gz WIDWAOSGVPDJBA-UHFFFAOYSA-N 0 0 402.539 2.415 20 0 HEADRN COc1cnccc1-c1noc(CCCN(C)C2=NS(=O)(=O)c3ccccc32)n1 ZINC000771541646 1079375360 /nfs/dbraw/zinc/37/53/60/1079375360.db2.gz GMENROZYOPHQCU-UHFFFAOYSA-N 0 0 413.459 2.154 20 0 HEADRN CN(Cc1cc(Br)ccc1F)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000766781859 1079367376 /nfs/dbraw/zinc/36/73/76/1079367376.db2.gz CWFOIGUHPHGSSC-UHFFFAOYSA-N 0 0 423.304 2.104 20 0 HEADRN CCn1c(=O)c2ccccc2n(Cc2nc(-c3c(C)nc4sccn43)no2)c1=O ZINC000771523872 1079370422 /nfs/dbraw/zinc/37/04/22/1079370422.db2.gz AOQJWTUNKFPMHR-UHFFFAOYSA-N 0 0 408.443 2.299 20 0 HEADRN O=C(N[C@H]1CCc2cncn2C1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000804335016 1079370544 /nfs/dbraw/zinc/37/05/44/1079370544.db2.gz PHAWUDQCGAGFHY-QHSLDKKCSA-N 0 0 414.531 2.027 20 0 HEADRN Cn1nnnc1CCn1c(-c2cccc(F)c2)csc1=Nc1ccc(C(N)=O)cc1 ZINC000771528169 1079371197 /nfs/dbraw/zinc/37/11/97/1079371197.db2.gz JPBMVWDGTYLNPQ-UHFFFAOYSA-N 0 0 423.477 2.453 20 0 HEADRN COC(=O)C[C@H](NC(=O)Cn1cc([C@H](C)O)nn1)c1ccc(-c2ccccc2)cc1 ZINC000771532279 1079372579 /nfs/dbraw/zinc/37/25/79/1079372579.db2.gz PEVXHYDWHUIJKQ-KXBFYZLASA-N 0 0 408.458 2.419 20 0 HEADRN O=C(N[C@@H](CO)c1ccsc1)c1ccc2ncc(I)n2c1 ZINC000771532725 1079372939 /nfs/dbraw/zinc/37/29/39/1079372939.db2.gz BGWKYQNLMNYWCK-NSHDSACASA-N 0 0 413.240 2.464 20 0 HEADRN CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N[C@H](CO)c2ccsc2)c1 ZINC000771532598 1079373030 /nfs/dbraw/zinc/37/30/30/1079373030.db2.gz APRSRJALOFVFGI-MRXNPFEDSA-N 0 0 400.497 2.380 20 0 HEADRN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCS[C@@H](C(C)C)C2)C1=O ZINC000771533586 1079373405 /nfs/dbraw/zinc/37/34/05/1079373405.db2.gz ORPRAVNONRZAJC-UTKZUKDTSA-N 0 0 419.547 2.371 20 0 HEADRN CC[C@H]1CN(C(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)CCS1 ZINC000771536344 1079373917 /nfs/dbraw/zinc/37/39/17/1079373917.db2.gz MNQRRGYFCVABOE-VBKZILBWSA-N 0 0 405.520 2.125 20 0 HEADRN COCCOc1ccc(-n2nc(C)c(C(=O)N[C@@H](CO)c3ccsc3)n2)cc1 ZINC000771535672 1079374277 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IDQHHLHNQUXJSD-UHFFFAOYSA-N 0 0 416.503 2.391 20 0 HEADRN COCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000768325962 1080486436 /nfs/dbraw/zinc/48/64/36/1080486436.db2.gz WSSMQZULJWPTPS-UHFFFAOYSA-N 0 0 408.476 2.157 20 0 HEADRN CCOC(=O)CC[C@@H](C)NC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000768324254 1080486491 /nfs/dbraw/zinc/48/64/91/1080486491.db2.gz XGZHCHUPTGSCKT-WZYMTQMTSA-N 0 0 410.511 2.297 20 0 HEADRN CN(CCCn1ccnc1)C(=O)c1ccc2ncc(I)n2c1 ZINC000768325214 1080487141 /nfs/dbraw/zinc/48/71/41/1080487141.db2.gz SWMDVDZQBNMFHC-UHFFFAOYSA-N 0 0 409.231 2.298 20 0 HEADRN COC(=O)C[C@@H](NC(=O)c1cccc(CN2C(=O)CSC2=O)c1)c1ccncc1 ZINC000786248845 1080487564 /nfs/dbraw/zinc/48/75/64/1080487564.db2.gz YKCBMKNZCWWCEU-MRXNPFEDSA-N 0 0 413.455 2.311 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2cn(-c3cccc(Cl)c3)nn2)n1 ZINC000786249626 1080488232 /nfs/dbraw/zinc/48/82/32/1080488232.db2.gz MBGDTOOQXAXQES-UHFFFAOYSA-N 0 0 422.898 2.113 20 0 HEADRN O=C(Cc1sc(N2CCCC2)nc1O)Nc1ccc(C(=O)NCCCF)cc1 ZINC000768328559 1080488394 /nfs/dbraw/zinc/48/83/94/1080488394.db2.gz XPPTZQCFXJQAPI-OAHLLOKOSA-N 0 0 406.483 2.198 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)Cc2c[nH]c3cccc(OC)c23)n1 ZINC000786250343 1080489466 /nfs/dbraw/zinc/48/94/66/1080489466.db2.gz OWPNGVYNQFCJEX-UHFFFAOYSA-N 0 0 404.492 2.297 20 0 HEADRN C[C@H](O)C[C@H]1COCCN1C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000768330702 1080490019 /nfs/dbraw/zinc/49/00/19/1080490019.db2.gz OPSHJVUSWOEHKK-ZOBUZTSGSA-N 0 0 409.502 2.029 20 0 HEADRN O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC[C@@H]1CCC1CCCC1 ZINC000768330225 1080490480 /nfs/dbraw/zinc/49/04/80/1080490480.db2.gz LKUPEUUOCFDHLZ-SJORKVTESA-N 0 0 409.552 2.113 20 0 HEADRN CCN(Cc1ccccc1NC(=O)C(=O)NCC(F)(F)CO)C(=O)OC(C)(C)C ZINC000768334125 1080491330 /nfs/dbraw/zinc/49/13/30/1080491330.db2.gz RVKRMAJVCPHVHR-UHFFFAOYSA-N 0 0 415.437 2.126 20 0 HEADRN COC(=O)c1cc(C(=O)OCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)ccn1 ZINC000786254948 1080492639 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1080511604 /nfs/dbraw/zinc/51/16/04/1080511604.db2.gz PZDOMASWIHMAPQ-UHFFFAOYSA-N 0 0 409.508 2.215 20 0 HEADRN COCc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccn(Cc3ccccn3)n2)o1 ZINC000768361919 1080511685 /nfs/dbraw/zinc/51/16/85/1080511685.db2.gz NWSOGDODZNQKMC-QGZVFWFLSA-N 0 0 409.446 2.368 20 0 HEADRN CC(C)(C)OC(=O)NCCN(CCO)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000768362872 1080512527 /nfs/dbraw/zinc/51/25/27/1080512527.db2.gz AXVDAOOJECWEIF-HZPDHXFCSA-N 0 0 401.548 2.356 20 0 HEADRN CC(C)(C)OC(=O)NCCN(CCO)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000768362871 1080512610 /nfs/dbraw/zinc/51/26/10/1080512610.db2.gz AXVDAOOJECWEIF-HOTGVXAUSA-N 0 0 401.548 2.356 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)CSCc2c(C)noc2C)n1 ZINC000786235204 1080512759 /nfs/dbraw/zinc/51/27/59/1080512759.db2.gz HGTCOKLWVKRBNR-UHFFFAOYSA-N 0 0 400.526 2.103 20 0 HEADRN COC(=O)CCc1csc(NC(=O)CCNS(=O)(=O)/C=C\c2ccccc2)n1 ZINC000768363384 1080512862 /nfs/dbraw/zinc/51/28/62/1080512862.db2.gz KTFJTFDFSPVLRP-BENRWUELSA-N 0 0 423.516 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COCC[C@@H]1CCCCN(C(=O)C(=O)Nc2cccc(C[S@](=O)CCOC)c2)C1 ZINC000768366630 1080516033 /nfs/dbraw/zinc/51/60/33/1080516033.db2.gz BFJHQWNYOCOAFM-SFNQZPIRSA-N 0 0 424.563 2.185 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2cccnc2Br)n1 ZINC000786241540 1080516084 /nfs/dbraw/zinc/51/60/84/1080516084.db2.gz GNKSVUVXGWFZPI-UHFFFAOYSA-N 0 0 401.286 2.036 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000786241584 1080516265 /nfs/dbraw/zinc/51/62/65/1080516265.db2.gz HFDOSYGPYGTTQU-GOSISDBHSA-N 0 0 421.519 2.436 20 0 HEADRN CN(Cc1cccc(Br)c1OCC(C)(C)O)C(=O)NCC[S@@](C)=O ZINC000786241422 1080516978 /nfs/dbraw/zinc/51/69/78/1080516978.db2.gz FATUEDMOAGVUOD-XMMPIXPASA-N 0 0 421.357 2.119 20 0 HEADRN C[C@@H]1CN(c2ccc(NC(=O)C(=O)NC[C@]3(C)CCO[C@H]3C3CC3)cc2)CCO1 ZINC000768367709 1080516826 /nfs/dbraw/zinc/51/68/26/1080516826.db2.gz OTQMLCWHGLQUIB-MPHOGZCYSA-N 0 0 401.507 2.172 20 0 HEADRN COC(=O)c1cc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)ccn1 ZINC000786242641 1080517010 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ZINC000768435859 1080555844 /nfs/dbraw/zinc/55/58/44/1080555844.db2.gz OZEOMZAEQSQXEM-UHFFFAOYSA-N 0 0 414.900 2.482 20 0 HEADRN COc1cccc(CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2N)n1 ZINC000768435831 1080555980 /nfs/dbraw/zinc/55/59/80/1080555980.db2.gz NZSJGWHHQXBTJE-UHFFFAOYSA-N 0 0 403.464 2.381 20 0 HEADRN COC(=O)CCc1cccc(NC(=O)C(=O)N2CCO[C@H](c3ccccc3F)C2)c1 ZINC000786310033 1080556098 /nfs/dbraw/zinc/55/60/98/1080556098.db2.gz JSBMQCKBAFRYAU-IBGZPJMESA-N 0 0 414.433 2.470 20 0 HEADRN COc1cccc(-c2nnc(SCCOc3ccc(S(C)(=O)=O)cc3)n2N)c1 ZINC000768435654 1080556234 /nfs/dbraw/zinc/55/62/34/1080556234.db2.gz WYCJURWFIGCVEV-UHFFFAOYSA-N 0 0 420.516 2.242 20 0 HEADRN CS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2CC(=O)c2cccs2)ccc1F ZINC000786309259 1080556436 /nfs/dbraw/zinc/55/64/36/1080556436.db2.gz KYPYCQVABIWLNC-ZDUSSCGKSA-N 0 0 411.476 2.405 20 0 HEADRN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C(F)(F)F)n2)C1 ZINC000786309314 1080556477 /nfs/dbraw/zinc/55/64/77/1080556477.db2.gz KLQGSQLBGMQJKD-LBPRGKRZSA-N 0 0 400.401 2.050 20 0 HEADRN COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2cc(C)[nH]n2)n1N ZINC000768436240 1080556601 /nfs/dbraw/zinc/55/66/01/1080556601.db2.gz COFOEFWYUFUAST-UHFFFAOYSA-N 0 0 407.887 2.392 20 0 HEADRN COC(=O)c1ccc(OCCSc2nnc(-c3cc(C)[nH]n3)n2N)c(Cl)c1 ZINC000768437162 1080556838 /nfs/dbraw/zinc/55/68/38/1080556838.db2.gz XSPJXJKDXWPLTA-UHFFFAOYSA-N 0 0 408.871 2.302 20 0 HEADRN COc1cccc(N2CC[C@H](NC(=O)C(=O)Nc3cccc(C(F)(F)F)n3)C2)c1 ZINC000786310135 1080556911 /nfs/dbraw/zinc/55/69/11/1080556911.db2.gz KEXPEPKBOWBXNY-LBPRGKRZSA-N 0 0 408.380 2.443 20 0 HEADRN COC(=O)CCc1cccc(NC(=O)C(=O)NC[C@@]2(O)CCCc3ccccc32)c1 ZINC000786311554 1080557117 /nfs/dbraw/zinc/55/71/17/1080557117.db2.gz HBZZQCGCCRGJMO-QHCPKHFHSA-N 0 0 410.470 2.071 20 0 HEADRN Cc1noc(C)c1S(=O)(=O)NC1(C(=O)OCC[C@@H]2CCCCO2)CCCC1 ZINC000786311712 1080557143 /nfs/dbraw/zinc/55/71/43/1080557143.db2.gz LZJCDCGNINPDJW-HNNXBMFYSA-N 0 0 400.497 2.385 20 0 HEADRN Cc1noc(C)c1S(=O)(=O)NC1(C(=O)OCC[C@H]2CCCCO2)CCCC1 ZINC000786311714 1080557283 /nfs/dbraw/zinc/55/72/83/1080557283.db2.gz LZJCDCGNINPDJW-OAHLLOKOSA-N 0 0 400.497 2.385 20 0 HEADRN Cc1cc(-c2nnc(S[C@@H](C(=O)N3CCc4sccc4C3)C(C)C)n2N)n[nH]1 ZINC000768436692 1080557585 /nfs/dbraw/zinc/55/75/85/1080557585.db2.gz NJPZNGZJVBHJJJ-OAHLLOKOSA-N 0 0 417.564 2.454 20 0 HEADRN COc1ccccc1[C@H](C)N(C)C(=O)CSc1nnc(-c2cc(C)[nH]n2)n1N ZINC000768436746 1080557735 /nfs/dbraw/zinc/55/77/35/1080557735.db2.gz JBLSCVJJXZEULD-LBPRGKRZSA-N 0 0 401.496 2.011 20 0 HEADRN Cc1cc(-c2nnc(SCC(=O)Nc3nc4ccc(C)cc4s3)n2N)n[nH]1 ZINC000768436381 1080558098 /nfs/dbraw/zinc/55/80/98/1080558098.db2.gz CAFSNXNNXBAOAV-UHFFFAOYSA-N 0 0 400.493 2.339 20 0 HEADRN COC(=O)CC1=NC(=S)N[C@@H](c2ccc(Br)c(C)c2)C1C(=O)OC ZINC000746578895 1080558632 /nfs/dbraw/zinc/55/86/32/1080558632.db2.gz CXPPWGKSFJRYJQ-AWEZNQCLSA-N 0 0 413.293 2.267 20 0 HEADRN COC(=O)c1sc(NC(=O)CCc2nc3c(cnn3C)c(=O)[nH]2)nc1C(C)(C)C ZINC000746579023 1080558898 /nfs/dbraw/zinc/55/88/98/1080558898.db2.gz AMMFCKMTTRNZBP-UHFFFAOYSA-N 0 0 418.479 2.181 20 0 HEADRN Cc1ccc(-n2cc(NC(=O)C(=O)N3CCC[C@H](N4CCCCC4=O)C3)cn2)c(C)c1 ZINC000786314140 1080558969 /nfs/dbraw/zinc/55/89/69/1080558969.db2.gz NMNSONCZKAXLLR-IBGZPJMESA-N 0 0 423.517 2.431 20 0 HEADRN CNC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(C)c3)n2N)c1 ZINC000768438304 1080559661 /nfs/dbraw/zinc/55/96/61/1080559661.db2.gz GNYMOCSUEAQGOJ-ZDUSSCGKSA-N 0 0 410.503 2.446 20 0 HEADRN CO[C@H](CNC(=O)C(=O)Nc1cc(Br)c(F)cc1F)C(F)(F)F ZINC000786316524 1080559749 /nfs/dbraw/zinc/55/97/49/1080559749.db2.gz XLJNRMCZYSFZSG-SECBINFHSA-N 0 0 405.117 2.359 20 0 HEADRN Cc1n[nH]c(C)c1[C@H](C)C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000786317156 1080560363 /nfs/dbraw/zinc/56/03/63/1080560363.db2.gz ZDECGUJZRPFOIC-XJKSGUPXSA-N 0 0 400.479 2.116 20 0 HEADRN CCS(=O)(=O)CCSc1nnc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)n1N ZINC000768441937 1080561654 /nfs/dbraw/zinc/56/16/54/1080561654.db2.gz XTFDNWFXQPEPRF-UHFFFAOYSA-N 0 0 412.928 2.229 20 0 HEADRN COC(=O)Cn1cc(CCOC(=O)c2ccc(NC(=O)c3cccs3)cc2)nn1 ZINC000772682678 1080563266 /nfs/dbraw/zinc/56/32/66/1080563266.db2.gz VOCZVFCDEFZKFM-UHFFFAOYSA-N 0 0 414.443 2.164 20 0 HEADRN Cc1nnnn1-c1ccc(F)c(NC(=O)COC(=O)C23CC(C(F)(F)F)(C2)C3)c1 ZINC000786327301 1080563627 /nfs/dbraw/zinc/56/36/27/1080563627.db2.gz DSNTUEPJQROUSQ-UHFFFAOYSA-N 0 0 413.331 2.324 20 0 HEADRN C[C@@H](C[S@](C)=O)N(C)C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000768446229 1080564651 /nfs/dbraw/zinc/56/46/51/1080564651.db2.gz DQRFJJOFNCNEQO-CEXHIMGSSA-N 0 0 419.528 2.087 20 0 HEADRN COc1ccc(OC)c([C@H](O)CNC(=O)Nc2cccc(N3CCNC3=O)c2C)c1 ZINC000786331023 1080565032 /nfs/dbraw/zinc/56/50/32/1080565032.db2.gz WWWQWGBREAWXMV-GOSISDBHSA-N 0 0 414.462 2.397 20 0 HEADRN CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)Nc3nnc(C4CCC4)[nH]3)C[C@@H](C1)C2=O ZINC000768447525 1080566371 /nfs/dbraw/zinc/56/63/71/1080566371.db2.gz DGPBKWKWWDKXIO-AGUYFDCRSA-N 0 0 403.483 2.473 20 0 HEADRN COC[C@@](C)(CO)NC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000768450121 1080566717 /nfs/dbraw/zinc/56/67/17/1080566717.db2.gz FEIVTVHFWXWTLT-HXUWFJFHSA-N 0 0 407.488 2.198 20 0 HEADRN COC[C@](C)(CO)NC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000768448500 1080566834 /nfs/dbraw/zinc/56/68/34/1080566834.db2.gz CXTZYXNEKVYEEE-RVFJIUOTSA-N 0 0 404.463 2.406 20 0 HEADRN COc1cc(N2C[C@@H](C(=O)NC(C)(C)C3CCOCC3)CC2=O)cc(OC)c1OC ZINC000786337745 1080567320 /nfs/dbraw/zinc/56/73/20/1080567320.db2.gz RDOVRYWLGJTDNO-AWEZNQCLSA-N 0 0 420.506 2.387 20 0 HEADRN COc1ccc(-c2cc(-c3nnc(S[C@H](C(=O)N(C)C)C(C)C)n3N)n[nH]2)cc1 ZINC000768450871 1080567878 /nfs/dbraw/zinc/56/78/78/1080567878.db2.gz JOFJFJCOPJUKGA-INIZCTEOSA-N 0 0 415.523 2.263 20 0 HEADRN COc1ccc2[nH]c(C(=O)OCn3nnc4c(cnn4-c4ccccc4)c3=O)cc2c1 ZINC000786355446 1080568236 /nfs/dbraw/zinc/56/82/36/1080568236.db2.gz NTTJZPIPKKXUAO-UHFFFAOYSA-N 0 0 416.397 2.282 20 0 HEADRN O=C(Nc1cccc(C(F)(F)F)n1)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000786356722 1080568487 /nfs/dbraw/zinc/56/84/87/1080568487.db2.gz GVKWDCPSIXUKJV-LBPRGKRZSA-N 0 0 406.364 2.240 20 0 HEADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)CCO1 ZINC000768452840 1080569114 /nfs/dbraw/zinc/56/91/14/1080569114.db2.gz SYDWBUHKOGLCLK-HOCLYGCPSA-N 0 0 401.467 2.022 20 0 HEADRN COc1ccc(-c2cc(-c3nnc(SCCCCOC(C)=O)n3N)n[nH]2)cc1 ZINC000768453731 1080569425 /nfs/dbraw/zinc/56/94/25/1080569425.db2.gz VDFYFXRPCKOICZ-UHFFFAOYSA-N 0 0 402.480 2.493 20 0 HEADRN CCCCN(C(=O)COC(=O)c1cc2cc(OC)ccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000786360029 1080569435 /nfs/dbraw/zinc/56/94/35/1080569435.db2.gz GHBOJROJOYHAEV-OAHLLOKOSA-N 0 0 422.503 2.149 20 0 HEADRN COc1ccc(-c2cc(-c3nnc(SCCOC[C@@H]4CCCO4)n3N)n[nH]2)cc1 ZINC000768453951 1080569552 /nfs/dbraw/zinc/56/95/52/1080569552.db2.gz WXNRFTGXSRHGEL-HNNXBMFYSA-N 0 0 416.507 2.345 20 0 HEADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCc1ncc(C(C)(C)C)o1 ZINC000768415167 1080569973 /nfs/dbraw/zinc/56/99/73/1080569973.db2.gz DBIIMDNCWOBXMP-INIZCTEOSA-N 0 0 410.515 2.254 20 0 HEADRN CC[C@H](c1nnc(SCN(C)S(C)(=O)=O)n1-c1ccc(OC)cc1)N(C)C ZINC000768414926 1080569985 /nfs/dbraw/zinc/56/99/85/1080569985.db2.gz BOCBCARITKGPRW-OAHLLOKOSA-N 0 0 413.569 2.230 20 0 HEADRN Cc1ccc([C@](O)(CC(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)C(F)(F)F)o1 ZINC000768416133 1080570362 /nfs/dbraw/zinc/57/03/62/1080570362.db2.gz LACFPJYPDJFZKJ-CXAGYDPISA-N 0 0 400.328 2.399 20 0 HEADRN COc1ccc2[nH]c(C(=O)O[C@H](C)C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2c1 ZINC000786363032 1080570583 /nfs/dbraw/zinc/57/05/83/1080570583.db2.gz WVAKHMPQEGRCNJ-LLVKDONJSA-N 0 0 417.443 2.008 20 0 HEADRN Cc1nnc(-c2ccccc2C(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)o1 ZINC000786365751 1080571714 /nfs/dbraw/zinc/57/17/14/1080571714.db2.gz LEWMQFUPOOCVHT-AWEZNQCLSA-N 0 0 409.398 2.158 20 0 HEADRN Nn1c(SCCCN2CCOCC2)nnc1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000768418926 1080572120 /nfs/dbraw/zinc/57/21/20/1080572120.db2.gz STQPZTLUXLYUHG-UHFFFAOYSA-N 0 0 403.487 2.003 20 0 HEADRN CN(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)S(C)(=O)=O ZINC000768418458 1080572316 /nfs/dbraw/zinc/57/23/16/1080572316.db2.gz YTRNSJQEVPDOEG-CQSZACIVSA-N 0 0 400.501 2.204 20 0 HEADRN C[C@@H]1[C@H](C(=O)OCCc2ccc(S(N)(=O)=O)cc2)CCN1C(=O)OC(C)(C)C ZINC000786367611 1080572427 /nfs/dbraw/zinc/57/24/27/1080572427.db2.gz HIKWFFTUBXYSRD-CZUORRHYSA-N 0 0 412.508 2.065 20 0 HEADRN C[C@@H]1[C@@H](C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CCN1C(=O)OC(C)(C)C ZINC000786368154 1080572448 /nfs/dbraw/zinc/57/24/48/1080572448.db2.gz JHGOOIHFISUNHG-YPMHNXCESA-N 0 0 418.450 2.396 20 0 HEADRN C[C@H]1[C@@H](C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CCN1C(=O)OC(C)(C)C ZINC000786368145 1080572553 /nfs/dbraw/zinc/57/25/53/1080572553.db2.gz JHGOOIHFISUNHG-AAEUAGOBSA-N 0 0 418.450 2.396 20 0 HEADRN C[C@H]1[C@@H](C(=O)OCCc2ccc(S(N)(=O)=O)cc2)CCN1C(=O)OC(C)(C)C ZINC000786367444 1080572776 /nfs/dbraw/zinc/57/27/76/1080572776.db2.gz HIKWFFTUBXYSRD-BBRMVZONSA-N 0 0 412.508 2.065 20 0 HEADRN CCOc1cccc(-c2nnc(S[C@H]3CCCN(c4cnn(C)c4)C3=O)n2N)c1 ZINC000768419741 1080572976 /nfs/dbraw/zinc/57/29/76/1080572976.db2.gz FBFLUNMPZRXNKJ-INIZCTEOSA-N 0 0 413.507 2.079 20 0 HEADRN COc1cc(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)ccc1C ZINC000786368831 1080573139 /nfs/dbraw/zinc/57/31/39/1080573139.db2.gz CWNUWOCNHNRWRM-UHFFFAOYSA-N 0 0 409.486 2.172 20 0 HEADRN CCOc1cccc(-c2nnc(S[C@H]3CCCN(c4ccn(C)n4)C3=O)n2N)c1 ZINC000768419655 1080573250 /nfs/dbraw/zinc/57/32/50/1080573250.db2.gz BSABBYUJHVTBFR-HNNXBMFYSA-N 0 0 413.507 2.079 20 0 HEADRN O=C(Nc1cccc(C(F)(F)F)n1)C(=O)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000786370232 1080573879 /nfs/dbraw/zinc/57/38/79/1080573879.db2.gz OFBBFESJZZEZGJ-ZDUSSCGKSA-N 0 0 401.385 2.226 20 0 HEADRN C[C@@H]1[C@@H](C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)CCN1C(=O)OC(C)(C)C ZINC000786371928 1080574074 /nfs/dbraw/zinc/57/40/74/1080574074.db2.gz RHVXBRFBIUIFDE-KGLIPLIRSA-N 0 0 417.462 2.160 20 0 HEADRN O=C(CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13C[C@H]1COC3)C2)NCCCC1CCCCC1 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CCN(Cc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)c1ccsc1)C(C)=O ZINC000741106000 1076358911 /nfs/dbraw/zinc/35/89/11/1076358911.db2.gz FLIWWFXFVSXVIZ-HXUWFJFHSA-N 0 0 403.504 2.079 20 0 HEADRN CC1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000741106433 1076359679 /nfs/dbraw/zinc/35/96/79/1076359679.db2.gz OIUFADYKXGVHJA-HKUYNNGSSA-N 0 0 421.563 2.333 20 0 HEADRN C[C@](O)(CNC(=O)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccsc1 ZINC000741106238 1076360002 /nfs/dbraw/zinc/36/00/02/1076360002.db2.gz KLHYLUUALFDAAR-XLIONFOSSA-N 0 0 404.488 2.268 20 0 HEADRN C[S@@](=O)Cc1cc(NC(=O)C(=O)NC[C@](C)(O)c2ccsc2)ccc1Cl ZINC000741106149 1076360047 /nfs/dbraw/zinc/36/00/47/1076360047.db2.gz ITOJIXMXSWDFGG-MRDQGFSESA-N 0 0 414.936 2.242 20 0 HEADRN CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2ccsc2)cc1 ZINC000741106120 1076360061 /nfs/dbraw/zinc/36/00/61/1076360061.db2.gz IGBXOZSUNPWGGT-HXUWFJFHSA-N 0 0 403.504 2.096 20 0 HEADRN C[C@@](O)(CNC(=O)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccsc1 ZINC000741106239 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1080562429 /nfs/dbraw/zinc/56/24/29/1080562429.db2.gz IAJGMUMJHXKBKO-UHFFFAOYSA-N 0 0 410.503 2.400 20 0 HEADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000768443591 1080563499 /nfs/dbraw/zinc/56/34/99/1080563499.db2.gz TVGBNTBNBHMJEZ-WBVHZDCISA-N 0 0 413.559 2.363 20 0 HEADRN CS(=O)(=O)c1cc(C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)ccc1F ZINC000786327369 1080563752 /nfs/dbraw/zinc/56/37/52/1080563752.db2.gz SKLUEDGMFNAHRV-UHFFFAOYSA-N 0 0 424.881 2.367 20 0 HEADRN COC(=O)/C=C1\SCC(=O)N1CCCSc1nnc(-c2cccc(C)c2)n1N ZINC000768446900 1080565204 /nfs/dbraw/zinc/56/52/04/1080565204.db2.gz DJBNWAJRAUYLGK-GDNBJRDFSA-N 0 0 419.532 2.039 20 0 HEADRN COc1ccc(-c2nnc(CNC(=O)C(=O)Nc3cccc(C(F)(F)F)n3)[nH]2)cc1 ZINC000786332140 1080566004 /nfs/dbraw/zinc/56/60/04/1080566004.db2.gz OQZGRAZJJKKVNJ-UHFFFAOYSA-N 0 0 420.351 2.149 20 0 HEADRN O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCCS(=O)(=O)Cc1ccccc1 ZINC000743321333 1080566254 /nfs/dbraw/zinc/56/62/54/1080566254.db2.gz YJOGEGWZMXNVIB-NRFANRHFSA-N 0 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XYORWPGGTJMPBP-CYBMUJFWSA-N 0 0 401.463 2.352 20 0 HEADRN CCOC(=O)Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)c1 ZINC000737739133 1075921183 /nfs/dbraw/zinc/92/11/83/1075921183.db2.gz JSPXIFVNZJZDKR-UHFFFAOYSA-N 0 0 406.460 2.226 20 0 HEADRN Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc(N4CCOC[C@H]4C)cc3)cc12 ZINC000737759157 1075923614 /nfs/dbraw/zinc/92/36/14/1075923614.db2.gz DVYZVHHQNGPADA-CYBMUJFWSA-N 0 0 401.492 2.303 20 0 HEADRN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000737757360 1075923630 /nfs/dbraw/zinc/92/36/30/1075923630.db2.gz XNNJHCSSQHNVAX-QMMMGPOBSA-N 0 0 422.315 2.176 20 0 HEADRN C[C@@H]1COCCN1c1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc1 ZINC000737727668 1075926417 /nfs/dbraw/zinc/92/64/17/1075926417.db2.gz NLSIXRQPUCCQQV-OAHLLOKOSA-N 0 0 408.458 2.356 20 0 HEADRN C[C@H]1COCCN1c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 ZINC000737729327 1075926444 /nfs/dbraw/zinc/92/64/44/1075926444.db2.gz YKUVBRFHDKUHLE-HJPURHCSSA-N 0 0 422.485 2.317 20 0 HEADRN O=C(N[C@H](C(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1)OCc1ccccc1 ZINC000737790449 1075929034 /nfs/dbraw/zinc/92/90/34/1075929034.db2.gz NMLNCBIBQHJXBH-HKUYNNGSSA-N 0 0 416.499 2.205 20 0 HEADRN C[C@@H](NC(=O)c1cc(N2CCNC2=O)ccc1F)c1cccc(NS(C)(=O)=O)c1 ZINC000737794735 1075930051 /nfs/dbraw/zinc/93/00/51/1075930051.db2.gz UHWNVCNFRUAJJA-GFCCVEGCSA-N 0 0 420.466 2.218 20 0 HEADRN CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000737803735 1075930129 /nfs/dbraw/zinc/93/01/29/1075930129.db2.gz XIKXVZALJBDXJJ-UHFFFAOYSA-N 0 0 406.458 2.485 20 0 HEADRN Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)c2cnn(-c3ccc(F)cc3)n2)s1 ZINC000737833221 1075935003 /nfs/dbraw/zinc/93/50/03/1075935003.db2.gz WUOOHPFOUJFKMX-AWEZNQCLSA-N 0 0 418.479 2.325 20 0 HEADRN CCc1nc([C@H]2CCCCN2C(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)no1 ZINC000737881212 1075938139 /nfs/dbraw/zinc/93/81/39/1075938139.db2.gz DFCHEFNXRMAZRT-OAHLLOKOSA-N 0 0 410.471 2.389 20 0 HEADRN CN(Cc1cnn(C)c1)C(=O)COC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766230478 1075938166 /nfs/dbraw/zinc/93/81/66/1075938166.db2.gz HWDABYRILMUYKO-UHFFFAOYSA-N 0 0 422.526 2.349 20 0 HEADRN O=C(NCCNc1nccc(C(F)(F)F)n1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000737934653 1075939473 /nfs/dbraw/zinc/93/94/73/1075939473.db2.gz GVRGFACZPKFFPP-UHFFFAOYSA-N 0 0 406.368 2.207 20 0 HEADRN O=C(NCCNc1nccc(C(F)(F)F)n1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000737936707 1075939904 /nfs/dbraw/zinc/93/99/04/1075939904.db2.gz VLCNKAJMRULESK-UHFFFAOYSA-N 0 0 424.351 2.334 20 0 HEADRN CCOC(Cn1cc(C(=O)Nc2cc(CN3CCOCC3)ccc2C)nn1)OCC ZINC000737936132 1075940292 /nfs/dbraw/zinc/94/02/92/1075940292.db2.gz NGGIHGHOWBNITA-UHFFFAOYSA-N 0 0 417.510 2.070 20 0 HEADRN CCOc1ccc(NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)c(C(N)=O)c1 ZINC000737944388 1075940742 /nfs/dbraw/zinc/94/07/42/1075940742.db2.gz RXSJLOFMDREAGV-UHFFFAOYSA-N 0 0 408.414 2.208 20 0 HEADRN CCOc1ccc(NC(=O)CNC(=O)c2cc3c(s2)CCCC3)c(C(N)=O)c1 ZINC000737943974 1075940858 /nfs/dbraw/zinc/94/08/58/1075940858.db2.gz OJHAWLCWPLJZBL-UHFFFAOYSA-N 0 0 401.488 2.493 20 0 HEADRN CCOc1ccc(NC(=O)CNC(=O)NCc2ccc(Cl)cc2)c(C(N)=O)c1 ZINC000737945759 1075940898 /nfs/dbraw/zinc/94/08/98/1075940898.db2.gz GJCQUQYQBAOCLK-UHFFFAOYSA-N 0 0 404.854 2.276 20 0 HEADRN CCCS(=O)(=O)Nc1cccc(NC(=O)CCNC(=O)OCC(F)(F)F)c1 ZINC000737924280 1075941388 /nfs/dbraw/zinc/94/13/88/1075941388.db2.gz JRIKPLGTXKMMLZ-UHFFFAOYSA-N 0 0 411.402 2.455 20 0 HEADRN O=C(OCCCn1nc2ccccn2c1=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000737335978 1075941704 /nfs/dbraw/zinc/94/17/04/1075941704.db2.gz UNRAOGQWKUPFDY-UHFFFAOYSA-N 0 0 401.854 2.392 20 0 HEADRN COC1(C(=O)N(C)CC(=O)NCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000737965236 1075942196 /nfs/dbraw/zinc/94/21/96/1075942196.db2.gz UUDFBKXTPSWSDS-UHFFFAOYSA-N 0 0 419.522 2.177 20 0 HEADRN COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000737967257 1075942246 /nfs/dbraw/zinc/94/22/46/1075942246.db2.gz DCCAUZYJBREVMI-KEYYUXOJSA-N 0 0 405.495 2.421 20 0 HEADRN NC(=O)[C@@H]1CCC[C@@H](NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 ZINC000737973433 1075943140 /nfs/dbraw/zinc/94/31/40/1075943140.db2.gz UWKVMOCYBYJKGW-VXGBXAGGSA-N 0 0 402.520 2.369 20 0 HEADRN CCc1ccc(N2C[C@@H](C(=O)Nc3c(C(=O)OC)c[nH]c3C(=O)OC)CC2=O)cc1 ZINC000771722671 1079492274 /nfs/dbraw/zinc/49/22/74/1079492274.db2.gz RADCDVSQBVSPGG-ZDUSSCGKSA-N 0 0 413.430 2.142 20 0 HEADRN COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cc1OC ZINC000737976997 1075943409 /nfs/dbraw/zinc/94/34/09/1075943409.db2.gz LINBNEDAUMFZCL-XDQVBPFNSA-N 0 0 403.479 2.072 20 0 HEADRN Cc1ccoc1C(=O)NCCCNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000737977605 1075943437 /nfs/dbraw/zinc/94/34/37/1075943437.db2.gz XCALRFAQHFYIFN-UHFFFAOYSA-N 0 0 405.505 2.133 20 0 HEADRN Cc1nc(C(=O)N(C)CCN2CCN(c3ccccc3)CC2)nn1-c1ccccc1 ZINC000737979799 1075943709 /nfs/dbraw/zinc/94/37/09/1075943709.db2.gz MYDDAEMKUWEQGD-UHFFFAOYSA-N 0 0 404.518 2.470 20 0 HEADRN C[C@H](CNC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1)CN1CCOCC1 ZINC000737979063 1075943861 /nfs/dbraw/zinc/94/38/61/1075943861.db2.gz FBQYVNNHBNXSGT-QUCCMNQESA-N 0 0 403.523 2.262 20 0 HEADRN CN(CCN1CCN(c2ccccc2)CC1)C(=O)[C@]1(C)Cc2ccccc2C(=O)O1 ZINC000737985101 1075945719 /nfs/dbraw/zinc/94/57/19/1075945719.db2.gz RUQSFPAXPQIUOS-DEOSSOPVSA-N 0 0 407.514 2.439 20 0 HEADRN C[C@H](C(=O)N(C)CC(=O)N[C@@H](C)[C@H](O)c1c(Cl)cccc1Cl)n1cccn1 ZINC000771725058 1079492785 /nfs/dbraw/zinc/49/27/85/1079492785.db2.gz XDIPSZYNPQDODB-JKDFXYPNSA-N 0 0 413.305 2.448 20 0 HEADRN NC(=O)[C@H]1CC(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)=NN1c1ccc(F)cc1 ZINC000766889350 1079492810 /nfs/dbraw/zinc/49/28/10/1079492810.db2.gz NOJZLRNCSLHIGJ-KZULUSFZSA-N 0 0 406.417 2.353 20 0 HEADRN Cc1c(C(=O)OCCCn2nc3ccccn3c2=O)nnn1-c1ccccc1Cl ZINC000737338080 1075949987 /nfs/dbraw/zinc/94/99/87/1075949987.db2.gz RUCQDCGVZKWLSR-UHFFFAOYSA-N 0 0 412.837 2.286 20 0 HEADRN COc1ccc(CN(C)S(=O)(=O)CCNC(=O)OCc2ccccc2)cc1OC ZINC000771726151 1079493176 /nfs/dbraw/zinc/49/31/76/1079493176.db2.gz PAOATTDJPZHFNL-UHFFFAOYSA-N 0 0 422.503 2.392 20 0 HEADRN COC(=O)c1cc(COC(=O)c2ccc3c(c2)NC(=O)CCN3)cc(C(=O)OC)c1 ZINC000766888894 1079493146 /nfs/dbraw/zinc/49/31/46/1079493146.db2.gz WZFACIJULWPCGC-UHFFFAOYSA-N 0 0 412.398 2.371 20 0 HEADRN CC[C@@]1(C(C)C)NC(=O)N(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)C1=O ZINC000738022132 1075952089 /nfs/dbraw/zinc/95/20/89/1075952089.db2.gz NHGFLLLXXJHIJQ-NRFANRHFSA-N 0 0 404.486 2.288 20 0 HEADRN CC[C@@]1(C(C)C)NC(=O)N(CN2CCCN(C(=O)c3cccc(C)c3)CC2)C1=O ZINC000738025492 1075952575 /nfs/dbraw/zinc/95/25/75/1075952575.db2.gz ZEKGXHVPPYINMO-QFIPXVFZSA-N 0 0 400.523 2.457 20 0 HEADRN COCCCn1cnn(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1=S ZINC000738027897 1075954105 /nfs/dbraw/zinc/95/41/05/1075954105.db2.gz AZEHDJHVFCVAFX-UHFFFAOYSA-N 0 0 404.540 2.462 20 0 HEADRN O=C(OCCCn1nc2ccccn2c1=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000737337176 1075957110 /nfs/dbraw/zinc/95/71/10/1075957110.db2.gz JHLGHORQEKWJOT-CQSZACIVSA-N 0 0 414.849 2.136 20 0 HEADRN COC(=O)[C@H]1CCCN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1 ZINC000738058527 1075961692 /nfs/dbraw/zinc/96/16/92/1075961692.db2.gz XJRVXTPSXBTHLS-KRWDZBQOSA-N 0 0 407.470 2.325 20 0 HEADRN CCOC(=O)c1ccc(N2CCCN(Cn3nc(C)c4ccccc4c3=O)CC2)nc1 ZINC000738109174 1075964844 /nfs/dbraw/zinc/96/48/44/1075964844.db2.gz IMNNPOUMMVQKOS-UHFFFAOYSA-N 0 0 421.501 2.446 20 0 HEADRN CCOC(=O)c1ccc(N2CCCN(Cn3nc(C)n(CC)c3=S)CC2)nc1 ZINC000738111587 1075966118 /nfs/dbraw/zinc/96/61/18/1075966118.db2.gz QMGNEHRVQYQWPB-UHFFFAOYSA-N 0 0 404.540 2.484 20 0 HEADRN CCN(CC)c1nc(Nc2cc(=O)n(C)c(=O)n2-c2ccccc2)nc2cccnc21 ZINC001169959208 1079495022 /nfs/dbraw/zinc/49/50/22/1079495022.db2.gz XRABQNSKDYUZSX-UHFFFAOYSA-N 0 0 417.473 2.464 20 0 HEADRN CN(C[C@@H]1CCN1Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001085732805 1075968337 /nfs/dbraw/zinc/96/83/37/1075968337.db2.gz MNSPFKMEXRJFIF-LNORHHCFSA-N 0 0 400.504 2.254 20 0 HEADRN COc1ccc(-c2nnn(CN(C)Cc3nccn3CC(F)(F)F)n2)cc1OC ZINC000738156912 1075969819 /nfs/dbraw/zinc/96/98/19/1075969819.db2.gz RIBCVSPTWBAAFU-UHFFFAOYSA-N 0 0 411.388 2.206 20 0 HEADRN NC(=O)CCn1c(-c2ccco2)nn(CN2CCC[C@@H](n3ccnc3)C2)c1=S ZINC000738157099 1075970387 /nfs/dbraw/zinc/97/03/87/1075970387.db2.gz GRLRQBJCVAAQPI-CQSZACIVSA-N 0 0 401.496 2.041 20 0 HEADRN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCC(C(=O)NCCO)CC1 ZINC000771773590 1079495459 /nfs/dbraw/zinc/49/54/59/1079495459.db2.gz GRZXTSNSLYTROA-SFHVURJKSA-N 0 0 410.514 2.392 20 0 HEADRN C[C@H]1CN(Cn2nc(N3CCOCC3)n(-c3cccc(F)c3)c2=S)CCCO1 ZINC000738163524 1075971998 /nfs/dbraw/zinc/97/19/98/1075971998.db2.gz YOLOKCYONSVNBN-HNNXBMFYSA-N 0 0 407.515 2.447 20 0 HEADRN COc1ccc(CN2C(=O)C(=O)N(COc3ccc4c(c3)OCCCO4)C2=O)cc1 ZINC000738259381 1075977058 /nfs/dbraw/zinc/97/70/58/1075977058.db2.gz UHBMPDJRHXWKHE-UHFFFAOYSA-N 0 0 412.398 2.184 20 0 HEADRN COC(=O)[C@@H](c1cc(OC)cc(OC)c1)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000766890279 1079496131 /nfs/dbraw/zinc/49/61/31/1079496131.db2.gz YLJAHUDCVLEWNJ-LSDHHAIUSA-N 0 0 404.385 2.013 20 0 HEADRN COC(=O)c1nc(C(F)(F)F)ccc1Nc1cc(=O)n(C)c(=O)n1-c1ccccc1 ZINC001169962019 1079496195 /nfs/dbraw/zinc/49/61/95/1079496195.db2.gz UFAWEZQEHULFKQ-UHFFFAOYSA-N 0 0 420.347 2.480 20 0 HEADRN CC[C@]1(c2ccccc2)NC(=O)N(CN2CCN(CC(F)(F)C(F)F)CC2)C1=O ZINC000738234165 1075980090 /nfs/dbraw/zinc/98/00/90/1075980090.db2.gz OVCPOPYYJASRBM-GOSISDBHSA-N 0 0 416.419 2.319 20 0 HEADRN CCOc1ccc(Nc2ncccc2C(=O)N2CCC(C(=O)NCCO)CC2)cc1 ZINC000771776421 1079496530 /nfs/dbraw/zinc/49/65/30/1079496530.db2.gz LZTXBJIARNENAA-UHFFFAOYSA-N 0 0 412.490 2.185 20 0 HEADRN C[C@H]1CSCCN1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000738337271 1075984117 /nfs/dbraw/zinc/98/41/17/1075984117.db2.gz AUGIYXUXNLVXML-HNNXBMFYSA-N 0 0 424.592 2.313 20 0 HEADRN C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N(C)Cc1cnn(-c2ccccc2)n1 ZINC000738303478 1075986365 /nfs/dbraw/zinc/98/63/65/1075986365.db2.gz DCOWZYNUBCQUDI-FXAWDEMLSA-N 0 0 421.501 2.386 20 0 HEADRN O=C(NCCO)C1CCN(C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)CC1 ZINC000771775776 1079497232 /nfs/dbraw/zinc/49/72/32/1079497232.db2.gz 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CC(C)(C)OC(=O)N1CCC(=O)[C@@H](OC(=O)C2CCN(CC(F)(F)F)CC2)C1 ZINC000744759444 1077570711 /nfs/dbraw/zinc/57/07/11/1077570711.db2.gz NDXLVTHZZTWHGN-AWEZNQCLSA-N 0 0 408.417 2.382 20 0 HEADRN CS(=O)(=O)Cc1nc(COC(=O)C2CCN(CC(F)(F)F)CC2)cs1 ZINC000744757813 1077570812 /nfs/dbraw/zinc/57/08/12/1077570812.db2.gz GKUGTIQPSGTHMY-UHFFFAOYSA-N 0 0 400.444 2.005 20 0 HEADRN C[C@H](OC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)c1nc(C(C)(C)C)no1 ZINC000744758869 1077571114 /nfs/dbraw/zinc/57/11/14/1077571114.db2.gz HCCMPVMJPDMTBT-NOLJZWGESA-N 0 0 419.453 2.315 20 0 HEADRN CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC000744736712 1077573262 /nfs/dbraw/zinc/57/32/62/1077573262.db2.gz QLFGSQCLKBZOED-SNVBAGLBSA-N 0 0 413.356 2.066 20 0 HEADRN C[C@@H](OC(=O)C1(O)CCCC1)C(=O)Nc1cccc(I)c1 ZINC000744736852 1077573286 /nfs/dbraw/zinc/57/32/86/1077573286.db2.gz PVYDCMZWEKZSIT-SNVBAGLBSA-N 0 0 403.216 2.467 20 0 HEADRN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000744738452 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C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NC2CCC(C)(O)CC2)C1=O ZINC000770246508 1078810549 /nfs/dbraw/zinc/81/05/49/1078810549.db2.gz RHFDBLOQQUJNIN-QNMGIUOZSA-N 0 0 411.861 2.056 20 0 HEADRN CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccn(CCC(N)=O)n1)c1ccccc1 ZINC000746176476 1078810911 /nfs/dbraw/zinc/81/09/11/1078810911.db2.gz VWIJHMYSPZGPNP-OAHLLOKOSA-N 0 0 401.467 2.353 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@H]1CNS(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000770256987 1078814665 /nfs/dbraw/zinc/81/46/65/1078814665.db2.gz CKLWTLTZPJQJMR-KRWDZBQOSA-N 0 0 410.536 2.483 20 0 HEADRN CCOC(=O)C(=O)N1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000746178580 1078811318 /nfs/dbraw/zinc/81/13/18/1078811318.db2.gz IUAAGLLDEQCLKK-UHFFFAOYSA-N 0 0 419.275 2.450 20 0 HEADRN CON(C)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N2CCCCC2)ccc1Cl ZINC000746181910 1078811603 /nfs/dbraw/zinc/81/16/03/1078811603.db2.gz AOQHGCAKADQXFE-GFCCVEGCSA-N 0 0 418.899 2.080 20 0 HEADRN COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N[C@H](C)[C@H]2CCOC2)c1 ZINC000770250745 1078811728 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COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CCC(CCO)CC2)c1 ZINC000770255348 1078814692 /nfs/dbraw/zinc/81/46/92/1078814692.db2.gz ZSECASPAGGWLSH-UHFFFAOYSA-N 0 0 424.288 2.158 20 0 HEADRN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H]1CCN(C(=O)OCC)C1 ZINC000770276887 1078803524 /nfs/dbraw/zinc/80/35/24/1078803524.db2.gz QAXGHLZDFWFLBI-IRXDYDNUSA-N 0 0 408.474 2.141 20 0 HEADRN O=C(NCCNC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccccc1F ZINC000770256730 1078814971 /nfs/dbraw/zinc/81/49/71/1078814971.db2.gz AARSFRIJRYSHDH-KRWDZBQOSA-N 0 0 413.449 2.330 20 0 HEADRN C[C@H](NC(=O)Nc1cnc(Br)c(Br)c1)[C@@H]1CN(C)CCO1 ZINC000770256074 1078815281 /nfs/dbraw/zinc/81/52/81/1078815281.db2.gz XWPZZYQHKVSYLG-KWQFWETISA-N 0 0 422.121 2.447 20 0 HEADRN COc1ccc(CN(C)C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1F ZINC000770332104 1078815348 /nfs/dbraw/zinc/81/53/48/1078815348.db2.gz RQZFXCGFLXKAGY-MRXNPFEDSA-N 0 0 400.410 2.249 20 0 HEADRN CCOC(=O)N1CC[C@H](NC(=O)NCc2cc(OC)ccc2Br)C1 ZINC000770331600 1078815549 /nfs/dbraw/zinc/81/55/49/1078815549.db2.gz ABTZLNBGELZINU-LBPRGKRZSA-N 0 0 400.273 2.488 20 0 HEADRN O=C(C[C@H]1CCS(=O)(=O)C1)O[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000770331841 1078815604 /nfs/dbraw/zinc/81/56/04/1078815604.db2.gz WZAOIJIFRDGKTF-RISCZKNCSA-N 0 0 405.394 2.179 20 0 HEADRN CS(=O)(=O)Cc1cccc(C(=O)OCC(=O)Nc2ccnn2C2CCCC2)c1 ZINC000746196313 1078815762 /nfs/dbraw/zinc/81/57/62/1078815762.db2.gz JDUQIQNUUKMXIJ-UHFFFAOYSA-N 0 0 405.476 2.338 20 0 HEADRN CC(C)(C)OC(=O)NC1(C(=O)NCCN2CCOC(C)(C)C2)Cc2ccccc2C1 ZINC000746197658 1078816139 /nfs/dbraw/zinc/81/61/39/1078816139.db2.gz QYVGMBFRSAMUKJ-UHFFFAOYSA-N 0 0 417.550 2.276 20 0 HEADRN C[C@H](OC(=O)c1ccccc1OCC(=O)N(C)C)C(=O)N(C)Cc1cccc(F)c1 ZINC000746199101 1078816707 /nfs/dbraw/zinc/81/67/07/1078816707.db2.gz ONYYUQLGSNUICM-HNNXBMFYSA-N 0 0 416.449 2.497 20 0 HEADRN CC(C)N1C[C@@H](NC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)CC1=O ZINC000746201937 1078816907 /nfs/dbraw/zinc/81/69/07/1078816907.db2.gz RIHCQAHKPITTOE-KRWDZBQOSA-N 0 0 401.507 2.174 20 0 HEADRN CC(=O)NCCc1ccc(-c2csc(NC(=O)C[C@@H]3C=CS(=O)(=O)C3)n2)cc1 ZINC000746202712 1078817271 /nfs/dbraw/zinc/81/72/71/1078817271.db2.gz QVDJGUHJWQYNPE-HNNXBMFYSA-N 0 0 419.528 2.376 20 0 HEADRN CCOC(=O)N(C)C1CCN(C(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)CC1 ZINC000746202732 1078817605 /nfs/dbraw/zinc/81/76/05/1078817605.db2.gz RKBUWQBPAVCWBQ-LJAQVGFWSA-N 0 0 424.519 2.035 20 0 HEADRN CC(C)COC[C@@H](O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000746224842 1078826240 /nfs/dbraw/zinc/82/62/40/1078826240.db2.gz JTOFVJULWXDUPY-RBUKOAKNSA-N 0 0 406.523 2.498 20 0 HEADRN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000746207641 1078818279 /nfs/dbraw/zinc/81/82/79/1078818279.db2.gz DCKORCSPUGLUSV-ZDUSSCGKSA-N 0 0 411.524 2.029 20 0 HEADRN CCSc1cccc(NC(=O)C(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1 ZINC000770292958 1078818367 /nfs/dbraw/zinc/81/83/67/1078818367.db2.gz GHFYIIOXSBCYGV-PBHICJAKSA-N 0 0 402.520 2.443 20 0 HEADRN CSCC[C@@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000746208493 1078818901 /nfs/dbraw/zinc/81/89/01/1078818901.db2.gz LBRULBHISWPECT-PBHICJAKSA-N 0 0 415.471 2.443 20 0 HEADRN COC(=O)C[C@H](NS(=O)(=O)N(C)C1CCOCC1)c1ccc2ccccc2c1 ZINC000770294176 1078819670 /nfs/dbraw/zinc/81/96/70/1078819670.db2.gz FVGDZZSBQFVKDC-IBGZPJMESA-N 0 0 406.504 2.389 20 0 HEADRN COC(=O)C[C@]1(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CCCOC1 ZINC000770296838 1078820548 /nfs/dbraw/zinc/82/05/48/1078820548.db2.gz GUIAJNBJHVRCDB-OAHLLOKOSA-N 0 0 411.398 2.018 20 0 HEADRN CN1CCC(=O)Nc2cc(C(=O)N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)ccc21 ZINC000746193798 1078821182 /nfs/dbraw/zinc/82/11/82/1078821182.db2.gz KIVKIYLRUSKGEG-AWEZNQCLSA-N 0 0 402.495 2.452 20 0 HEADRN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000770298374 1078821860 /nfs/dbraw/zinc/82/18/60/1078821860.db2.gz WXVOCQVJCYDYJM-DOMZBBRYSA-N 0 0 421.295 2.093 20 0 HEADRN CCCCC[C@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)c1ccccc1 ZINC000746213735 1078823315 /nfs/dbraw/zinc/82/33/15/1078823315.db2.gz SNGORUIQNFHJQR-HNNXBMFYSA-N 0 0 407.492 2.095 20 0 HEADRN CSCCc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000770301558 1078823570 /nfs/dbraw/zinc/82/35/70/1078823570.db2.gz ICBXIOXHSZFGFK-FUHWJXTLSA-N 0 0 416.547 2.236 20 0 HEADRN O=C(Nc1cnc(C2CC2)nc1)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC000746215913 1078823947 /nfs/dbraw/zinc/82/39/47/1078823947.db2.gz SIVYBGKCUXZKHB-UHFFFAOYSA-N 0 0 403.395 2.102 20 0 HEADRN C[C@H](NC(=O)C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1)[C@@H]1CN(C)CCO1 ZINC000770301207 1078823932 /nfs/dbraw/zinc/82/39/32/1078823932.db2.gz HUNPWSRLQSUFPX-YWZLYKJASA-N 0 0 420.529 2.368 20 0 HEADRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NCC1N=NC(=S)N1C1CC1 ZINC000746226114 1078826854 /nfs/dbraw/zinc/82/68/54/1078826854.db2.gz REEGTRDFVBPNEI-GXFFZTMASA-N 0 0 411.528 2.278 20 0 HEADRN Cc1nc(CC(C)C)c(NC(=O)C(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)s1 ZINC000770303648 1078824525 /nfs/dbraw/zinc/82/45/25/1078824525.db2.gz 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C[C@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)[C@H](O)c1cccc(F)c1 ZINC000771741635 1079475738 /nfs/dbraw/zinc/47/57/38/1079475738.db2.gz UZNOXYCIGRBVOU-DJJJIMSYSA-N 0 0 406.479 2.366 20 0 HEADRN CO[C@H](C)c1noc(CN(C(C)=O)S(=O)(=O)c2ccc(Br)cc2)n1 ZINC000771743431 1079475786 /nfs/dbraw/zinc/47/57/86/1079475786.db2.gz FVQXUQWRMWRJEF-SECBINFHSA-N 0 0 418.269 2.277 20 0 HEADRN O=C(CNC(=O)c1ccc(Br)cc1)NCCN1CCc2ccccc21 ZINC000771742686 1079476224 /nfs/dbraw/zinc/47/62/24/1079476224.db2.gz YTFLWKMCAJLDQL-UHFFFAOYSA-N 0 0 402.292 2.358 20 0 HEADRN C[C@@H](NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)[C@H](O)c1cccc(F)c1 ZINC000771745390 1079477445 /nfs/dbraw/zinc/47/74/45/1079477445.db2.gz YXNHRZMDQSFDID-XIKOKIGWSA-N 0 0 414.886 2.386 20 0 HEADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)Cn1c2ccccc2n(C)c1=O ZINC000771748484 1079478271 /nfs/dbraw/zinc/47/82/71/1079478271.db2.gz XCBPLEDHTGKQCB-HUUCEWRRSA-N 0 0 402.495 2.196 20 0 HEADRN CS(=O)(=O)CC1(COC(=O)c2ccn(-c3ccc(F)cc3F)n2)CCOCC1 ZINC000766885803 1079478385 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419.363 2.033 20 0 HEADRN COc1ccc2c(c1)NC(=O)C[C@H]2CNc1ccc(OCCN2CCOCC2)nc1 ZINC001169925598 1079486268 /nfs/dbraw/zinc/48/62/68/1079486268.db2.gz SNYRMJNVZOBWRJ-INIZCTEOSA-N 0 0 412.490 2.339 20 0 HEADRN COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)C(=O)NCC[S@](C)=O ZINC000737292444 1075895542 /nfs/dbraw/zinc/89/55/42/1075895542.db2.gz FCLYJNRSMZMFEH-NDEPHWFRSA-N 0 0 408.451 2.368 20 0 HEADRN O=C(NCc1ccnc(-n2ccnc2)c1)C(=O)Nc1ccc(Br)cc1F ZINC000737267855 1075896648 /nfs/dbraw/zinc/89/66/48/1075896648.db2.gz NDAWQWJCUDCUEP-UHFFFAOYSA-N 0 0 418.226 2.424 20 0 HEADRN Cc1nccc(-c2cccc(NC(=O)C(=O)NCc3ccnc(-n4ccnc4)c3)c2)n1 ZINC000737267894 1075896686 /nfs/dbraw/zinc/89/66/86/1075896686.db2.gz OJQPWYOETLJBRJ-UHFFFAOYSA-N 0 0 413.441 2.288 20 0 HEADRN CC(C)C(=O)Nc1ccc(NC(=O)C(=O)NCc2ccnc(-n3ccnc3)c2)cc1 ZINC000737268026 1075896704 /nfs/dbraw/zinc/89/67/04/1075896704.db2.gz RUQDGJXKLPXKHK-UHFFFAOYSA-N 0 0 406.446 2.117 20 0 HEADRN Cc1ccc(Oc2ccc(NC(=O)C(=O)NCC(=O)Nc3cccnc3)cc2)nc1 ZINC000737269499 1075898651 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CCOc1ccc(NC(=O)c2[nH]c(C)c(C(=O)OCCOC)c2C)c(C(N)=O)c1 ZINC000737656785 1075917257 /nfs/dbraw/zinc/91/72/57/1075917257.db2.gz CGLBTVKBNFEWMS-UHFFFAOYSA-N 0 0 403.435 2.185 20 0 HEADRN Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000737691196 1075919715 /nfs/dbraw/zinc/91/97/15/1075919715.db2.gz IQBBZKVLCKSFGE-UHFFFAOYSA-N 0 0 405.414 2.090 20 0 HEADRN C[C@H]1c2c(F)cccc2CCN1C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000737700096 1075920533 /nfs/dbraw/zinc/92/05/33/1075920533.db2.gz XYORWPGGTJMPBP-ZDUSSCGKSA-N 0 0 401.463 2.352 20 0 HEADRN COc1ccccc1[C@H]1CCN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)C1 ZINC000737746226 1075922189 /nfs/dbraw/zinc/92/21/89/1075922189.db2.gz NSSIOXFWCNXJOP-XDHUDOTRSA-N 0 0 419.481 2.405 20 0 HEADRN C[C@@H]1COCCN1c1ccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 ZINC000737758848 1075924155 /nfs/dbraw/zinc/92/41/55/1075924155.db2.gz CGAWDDDUPNTXHP-OAHLLOKOSA-N 0 0 418.519 2.277 20 0 HEADRN C[C@@H]1COCCN1c1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 ZINC000737726047 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407.470 2.257 20 0 HEADRN COc1cccc(C(=O)N2CCN(CN3C(=O)[C@@H](C)N(c4ccccc4)C3=O)CC2)c1 ZINC000738019086 1075951806 /nfs/dbraw/zinc/95/18/06/1075951806.db2.gz RPZMDWRBZIMIBD-QGZVFWFLSA-N 0 0 422.485 2.268 20 0 HEADRN CC[C@@]1(C(C)C)NC(=O)N(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)C1=O ZINC000738025347 1075953105 /nfs/dbraw/zinc/95/31/05/1075953105.db2.gz WUMXJLSUVZTCML-NRFANRHFSA-N 0 0 404.486 2.334 20 0 HEADRN CC[C@]1(C(C)C)NC(=O)N(CN2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)C1=O ZINC000738026932 1075953598 /nfs/dbraw/zinc/95/35/98/1075953598.db2.gz AXKDJYUDGUXRHD-IIBYNOLFSA-N 0 0 401.511 2.355 20 0 HEADRN CN(C)S(=O)(=O)c1cnn(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 ZINC000738028461 1075954265 /nfs/dbraw/zinc/95/42/65/1075954265.db2.gz HUBHSZWXBFHLMS-NXEZZACHSA-N 0 0 408.368 2.154 20 0 HEADRN CC(C)(C)OC(=O)N[C@@H]1CCCN(Cn2cc(I)cn2)C1 ZINC000738030110 1075954748 /nfs/dbraw/zinc/95/47/48/1075954748.db2.gz TYGRVAPEEVIKHY-GFCCVEGCSA-N 0 0 406.268 2.434 20 0 HEADRN CC(C)[C@H](C)NC(=O)C1CCN(Cn2cc(I)cn2)CC1 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O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1CN1CCC[C@H](C2OCCO2)C1 ZINC000738148325 1075969395 /nfs/dbraw/zinc/96/93/95/1075969395.db2.gz JXDDPPNPCXRXLJ-SCLBCKFNSA-N 0 0 413.396 2.038 20 0 HEADRN COC(=O)CCc1c(C)nc2c(c(=O)n(CN(C)Cc3scnc3C)n2C)c1C ZINC000738161115 1075971449 /nfs/dbraw/zinc/97/14/49/1075971449.db2.gz OKNPPKBROTXUAJ-UHFFFAOYSA-N 0 0 417.535 2.312 20 0 HEADRN CCN(CCNC(=O)C(=O)NCC1(c2cccc(F)c2)CC1)C(=O)OC(C)(C)C ZINC000804258753 1075972320 /nfs/dbraw/zinc/97/23/20/1075972320.db2.gz GNKDIPJYVPPIDY-UHFFFAOYSA-N 0 0 407.486 2.347 20 0 HEADRN O=C(Oc1ccccc1)N1CCCN(CN2C(=O)C[C@]3(CCSC3)C2=O)CC1 ZINC000738145138 1075973355 /nfs/dbraw/zinc/97/33/55/1075973355.db2.gz OQDXFQKZGQYDMR-FQEVSTJZSA-N 0 0 403.504 2.033 20 0 HEADRN O=C(NCCO)C1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 ZINC000771775443 1079496128 /nfs/dbraw/zinc/49/61/28/1079496128.db2.gz BBZPSUYEIGIQLV-GJZGRUSLSA-N 0 0 400.397 2.036 20 0 HEADRN O=C(c1ccc(F)cc1)[C@@H]1CCCN(CN2C(=O)C(=O)N(C3CCCC3)C2=O)C1 ZINC000738267208 1075977422 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1076434846 /nfs/dbraw/zinc/43/48/46/1076434846.db2.gz KPWRGTTXSLFLMX-OAHLLOKOSA-N 0 0 404.492 2.117 20 0 HEADRN CCOC(=O)[C@H]1CN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CCO1 ZINC000741248523 1076436062 /nfs/dbraw/zinc/43/60/62/1076436062.db2.gz MVKVRJQROSMLPS-MRXNPFEDSA-N 0 0 417.487 2.203 20 0 HEADRN COC(=O)[C@@]1(F)CCN(c2ncnc3ccc(I)cc32)C1 ZINC000751961776 1076436744 /nfs/dbraw/zinc/43/67/44/1076436744.db2.gz NHVPCKSTDHDJHO-CQSZACIVSA-N 0 0 401.179 2.326 20 0 HEADRN CCOC(=O)[C@H]1CN(C(=O)NCC2(c3ccc(OCC)cc3)CCOCC2)CCO1 ZINC000741267744 1076437407 /nfs/dbraw/zinc/43/74/07/1076437407.db2.gz AKKRGRHGGGEGSK-LJQANCHMSA-N 0 0 420.506 2.107 20 0 HEADRN CCOC(=O)[C@@H]1CN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCO1 ZINC000741266287 1076437435 /nfs/dbraw/zinc/43/74/35/1076437435.db2.gz MBKWKIDXHVQGOR-LBTNJELSSA-N 0 0 409.458 2.235 20 0 HEADRN CN(C)C(=O)c1ccc(CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000741267573 1076437614 /nfs/dbraw/zinc/43/76/14/1076437614.db2.gz JUHWEDIVDJMJKX-QGZVFWFLSA-N 0 0 404.511 2.491 20 0 HEADRN C[C@@H](NC(=O)NC[C@H](O)c1c(F)cccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000741267605 1076437627 /nfs/dbraw/zinc/43/76/27/1076437627.db2.gz SQLNHKVGTIFRDK-BMIGLBTASA-N 0 0 415.874 2.220 20 0 HEADRN CS(=O)(=O)CCn1ccc(NC(=O)NCc2ccc(OC(F)(F)F)cc2)n1 ZINC000741268774 1076437925 /nfs/dbraw/zinc/43/79/25/1076437925.db2.gz XXAFQOFOMKSMMA-UHFFFAOYSA-N 0 0 406.386 2.148 20 0 HEADRN CCOC(=O)[C@@H]1CN(C(=O)NCc2ccc(COCC(F)(F)F)cc2)CCO1 ZINC000741268601 1076438311 /nfs/dbraw/zinc/43/83/11/1076438311.db2.gz IAYBUUSLDARDRU-HNNXBMFYSA-N 0 0 404.385 2.239 20 0 HEADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000741269222 1076438461 /nfs/dbraw/zinc/43/84/61/1076438461.db2.gz OOUMQSDLTKBQQP-MRXNPFEDSA-N 0 0 411.524 2.193 20 0 HEADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)NCc1nncn1-c1ccccc1)C1CC1 ZINC000741269934 1076438594 /nfs/dbraw/zinc/43/85/94/1076438594.db2.gz NMWQBMVNXSKKCK-MRXNPFEDSA-N 0 0 400.483 2.370 20 0 HEADRN C[C@@H](NC(=O)NCc1cccnc1-n1ccnc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741270988 1076438807 /nfs/dbraw/zinc/43/88/07/1076438807.db2.gz OAGDAMVJQWLBOV-WIYYLYMNSA-N 0 0 420.517 2.356 20 0 HEADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)NCc1ccccc1Cn1cncn1)C1CC1 ZINC000741272832 1076439619 /nfs/dbraw/zinc/43/96/19/1076439619.db2.gz VRYFNESFFZPXMC-GOSISDBHSA-N 0 0 414.510 2.429 20 0 HEADRN C[C@H](NC(=O)NCCCNC(=O)OC(C)(C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741272295 1076439990 /nfs/dbraw/zinc/43/99/90/1076439990.db2.gz BWSSBUAPZSHYED-PKOBYXMFSA-N 0 0 420.554 2.490 20 0 HEADRN CCNS(=O)(=O)CCNC(=O)N1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC000741273742 1076440085 /nfs/dbraw/zinc/44/00/85/1076440085.db2.gz FNQZCCSDIGZPBV-AWEZNQCLSA-N 0 0 417.959 2.252 20 0 HEADRN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)NC[C@H](O)c2c(F)cccc2Cl)C1 ZINC000741275052 1076440574 /nfs/dbraw/zinc/44/05/74/1076440574.db2.gz IPSKPWYVQYWEHH-PXAZEXFGSA-N 0 0 420.872 2.190 20 0 HEADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2)C1=O)C1CC1 ZINC000741277261 1076442820 /nfs/dbraw/zinc/44/28/20/1076442820.db2.gz WCZGGELLMPCTHE-SJORKVTESA-N 0 0 402.495 2.394 20 0 HEADRN O=C(COc1ccccc1)N1CCC[C@@H](C(=O)NC[C@@H](O)c2cccc(F)c2)C1 ZINC000741279384 1076443287 /nfs/dbraw/zinc/44/32/87/1076443287.db2.gz SBCFVKFLFFBOLN-YLJYHZDGSA-N 0 0 400.450 2.293 20 0 HEADRN O=C(COc1ccccc1)N1CCC[C@H](C(=O)NC[C@H](O)c2cccc(F)c2)C1 ZINC000741279378 1076443357 /nfs/dbraw/zinc/44/33/57/1076443357.db2.gz SBCFVKFLFFBOLN-PXNSSMCTSA-N 0 0 400.450 2.293 20 0 HEADRN CCOC(=O)[C@@H]1CN(C[C@@H](O)COc2ccc(Cl)cc2Br)CCO1 ZINC000741254153 1076444801 /nfs/dbraw/zinc/44/48/01/1076444801.db2.gz ZZVLWAJDFWQKDB-DOMZBBRYSA-N 0 0 422.703 2.106 20 0 HEADRN CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)CCO1 ZINC000741254360 1076445271 /nfs/dbraw/zinc/44/52/71/1076445271.db2.gz NPAYJRUSBUZXLK-LJQANCHMSA-N 0 0 405.472 2.218 20 0 HEADRN COc1cccc([C@H](O)CNC(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000741280943 1076446199 /nfs/dbraw/zinc/44/61/99/1076446199.db2.gz KOCGFAUZHPSMPW-WTOYTKOKSA-N 0 0 413.518 2.317 20 0 HEADRN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2nccn2C)CC1 ZINC000741259255 1076447581 /nfs/dbraw/zinc/44/75/81/1076447581.db2.gz DKATUNRNOXRBKS-UHFFFAOYSA-N 0 0 418.563 2.481 20 0 HEADRN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000741299044 1076450611 /nfs/dbraw/zinc/45/06/11/1076450611.db2.gz PLKWAIIDKXLSPN-HNNXBMFYSA-N 0 0 400.859 2.193 20 0 HEADRN Cc1ccc([C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)o1 ZINC000741298536 1076450617 /nfs/dbraw/zinc/45/06/17/1076450617.db2.gz FFFMVVKYGABZIH-GOSISDBHSA-N 0 0 405.410 2.243 20 0 HEADRN COc1ccccc1OCc1ccc(C(=O)N2CCN(CC[S@](C)=O)CC2)o1 ZINC000741299091 1076450640 /nfs/dbraw/zinc/45/06/40/1076450640.db2.gz XYBKERWIZNJYCL-NDEPHWFRSA-N 0 0 406.504 2.004 20 0 HEADRN O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NC[C@H](O)c1c(F)cccc1Cl ZINC000741299766 1076451464 /nfs/dbraw/zinc/45/14/64/1076451464.db2.gz XBNSQEVRWXETAU-INIZCTEOSA-N 0 0 419.840 2.394 20 0 HEADRN Cc1ccc([C@@H](O)CNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)o1 ZINC000741299582 1076451507 /nfs/dbraw/zinc/45/15/07/1076451507.db2.gz IALVOWMBLDBXGZ-AWEZNQCLSA-N 0 0 421.247 2.186 20 0 HEADRN CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2cccnc2N2CCC(O)CC2)C1 ZINC000741281534 1076453200 /nfs/dbraw/zinc/45/32/00/1076453200.db2.gz AGMQSINWLOONOV-MRXNPFEDSA-N 0 0 403.527 2.059 20 0 HEADRN C[C@H](NC(=O)NC[C@@H](O)c1ccc(F)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741281978 1076453235 /nfs/dbraw/zinc/45/32/35/1076453235.db2.gz NYTDHLADNTYEHL-ZLGUVYLKSA-N 0 0 401.482 2.448 20 0 HEADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)NCCS(=O)(=O)c1ccccc1)C1CC1 ZINC000741282190 1076453574 /nfs/dbraw/zinc/45/35/74/1076453574.db2.gz UDFSAIWEXPWBOE-MRXNPFEDSA-N 0 0 411.524 2.063 20 0 HEADRN CCOC(=O)N1CCC(NC(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000741283058 1076454016 /nfs/dbraw/zinc/45/40/16/1076454016.db2.gz QYCRYHGAFUHOGE-PXNSSMCTSA-N 0 0 418.538 2.196 20 0 HEADRN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2cccc(C)n2)c1 ZINC000741285004 1076454917 /nfs/dbraw/zinc/45/49/17/1076454917.db2.gz AKQCAIUARBSKEI-UHFFFAOYSA-N 0 0 411.911 2.240 20 0 HEADRN COCCS(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000741288882 1076457820 /nfs/dbraw/zinc/45/78/20/1076457820.db2.gz ASCSCEMKBOAXNL-INIZCTEOSA-N 0 0 415.870 2.363 20 0 HEADRN CC(C)c1nc(C(=O)N2CCN(CC[S@](C)=O)CC2)nn1-c1ccccc1Cl ZINC000741289027 1076457829 /nfs/dbraw/zinc/45/78/29/1076457829.db2.gz KVGTWJZOSJDAPP-NDEPHWFRSA-N 0 0 423.970 2.180 20 0 HEADRN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NC[C@@H](O)c1c(F)cccc1Cl ZINC000741290061 1076458773 /nfs/dbraw/zinc/45/87/73/1076458773.db2.gz BBCGODVITNKDNW-OAHLLOKOSA-N 0 0 420.872 2.453 20 0 HEADRN CNC(=O)COc1ccc(C(=O)NC[C@H](O)c2c(F)cccc2Cl)cc1OC ZINC000741289392 1076459187 /nfs/dbraw/zinc/45/91/87/1076459187.db2.gz DGWUZNVTHOKSEV-AWEZNQCLSA-N 0 0 410.829 2.076 20 0 HEADRN O=C(NC[C@H](O)c1c(F)cccc1Cl)c1cccc(N2CCCS2(=O)=O)c1 ZINC000741292572 1076461113 /nfs/dbraw/zinc/46/11/13/1076461113.db2.gz DUYNFUZKYDQCBH-INIZCTEOSA-N 0 0 412.870 2.482 20 0 HEADRN CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H](O)c1c(F)cccc1Cl)C2=O ZINC000741294215 1076461927 /nfs/dbraw/zinc/46/19/27/1076461927.db2.gz ADEJVIBXEIMCRV-OTBSTLSISA-N 0 0 411.861 2.129 20 0 HEADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)OCCOC[C@@H]3CCCO3)cc2)CC1 ZINC000741310698 1076464210 /nfs/dbraw/zinc/46/42/10/1076464210.db2.gz DUGBKXOLLJFTPG-SFHVURJKSA-N 0 0 411.520 2.460 20 0 HEADRN O=C(OCCOC[C@H]1CCCO1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000741310600 1076464262 /nfs/dbraw/zinc/46/42/62/1076464262.db2.gz KVYLQAQMHDYHHF-OAHLLOKOSA-N 0 0 416.451 2.416 20 0 HEADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OCCOC[C@@H]3CCCO3)C2)cc1 ZINC000741320379 1076466577 /nfs/dbraw/zinc/46/65/77/1076466577.db2.gz QRCBHYFLKYXRRX-MSOLQXFVSA-N 0 0 411.520 2.135 20 0 HEADRN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@H](O)c1c(F)cccc1Cl ZINC000741303118 1076467810 /nfs/dbraw/zinc/46/78/10/1076467810.db2.gz SZHRSFPRWKUSHG-HNNXBMFYSA-N 0 0 405.813 2.135 20 0 HEADRN COc1ccc(-n2c(C)nnc2SCC(=O)NC[C@H](O)c2ccc(C)o2)cc1 ZINC000741302728 1076468322 /nfs/dbraw/zinc/46/83/22/1076468322.db2.gz WFTVUFXJXCIOPX-INIZCTEOSA-N 0 0 402.476 2.428 20 0 HEADRN O=C(NC[C@H](O)c1c(F)cccc1Cl)c1nc2ncc(Br)cn2n1 ZINC000741302901 1076468325 /nfs/dbraw/zinc/46/83/25/1076468325.db2.gz MYDRRNWLKKZSHE-JTQLQIEISA-N 0 0 414.622 2.143 20 0 HEADRN CCS(=O)(=O)N1CCC(C(=O)NC[C@H](O)c2ccc(C)o2)(c2ccccc2)CC1 ZINC000741303881 1076468716 /nfs/dbraw/zinc/46/87/16/1076468716.db2.gz FXPHCKFVRYRKDQ-SFHVURJKSA-N 0 0 420.531 2.121 20 0 HEADRN Cc1ccc([C@@H](O)CNC(=O)c2cc(S(C)(=O)=O)ccc2Br)o1 ZINC000741303175 1076468718 /nfs/dbraw/zinc/46/87/18/1076468718.db2.gz PEVPHAVUSCLJSQ-ZDUSSCGKSA-N 0 0 402.266 2.217 20 0 HEADRN COc1cccc(-n2c(C)nnc2SCC(=O)NC[C@H](O)c2ccc(C)o2)c1 ZINC000741304912 1076468969 /nfs/dbraw/zinc/46/89/69/1076468969.db2.gz ITFYPQNGKMGBFM-INIZCTEOSA-N 0 0 402.476 2.428 20 0 HEADRN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NC[C@H](O)c1c(F)cccc1Cl ZINC000741304451 1076469528 /nfs/dbraw/zinc/46/95/28/1076469528.db2.gz OYNVJLMIMDOPID-GJZGRUSLSA-N 0 0 406.907 2.223 20 0 HEADRN C[S@@](=O)CCN1CCN(C(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)CC1 ZINC000741305270 1076471054 /nfs/dbraw/zinc/47/10/54/1076471054.db2.gz YNKXACSPORPWBB-WVDZOPJMSA-N 0 0 420.604 2.035 20 0 HEADRN CCN(CC)S(=O)(=O)c1cc(C(=O)OCCOC[C@H]2CCCO2)ccc1F ZINC000741306825 1076471518 /nfs/dbraw/zinc/47/15/18/1076471518.db2.gz OCLUONHLNPSJRJ-OAHLLOKOSA-N 0 0 403.472 2.209 20 0 HEADRN CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1(C)C ZINC000766270463 1076473652 /nfs/dbraw/zinc/47/36/52/1076473652.db2.gz HVDLMWQEFSIZNG-ZIAGYGMSSA-N 0 0 418.462 2.330 20 0 HEADRN CCN1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)NCC(F)(F)F)cc2F)CC1 ZINC000741341974 1076474533 /nfs/dbraw/zinc/47/45/33/1076474533.db2.gz KXVVVFOLQAZDEV-LBPRGKRZSA-N 0 0 405.392 2.191 20 0 HEADRN NC(=O)c1ccccc1NC(=O)CN1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000766270762 1076476755 /nfs/dbraw/zinc/47/67/55/1076476755.db2.gz PDXAOQXAPYHNNU-KRWDZBQOSA-N 0 0 405.401 2.399 20 0 HEADRN O=C(COC(=O)CN1CCc2ccccc21)NCC1(c2ccccc2)CCOCC1 ZINC000741331395 1076479579 /nfs/dbraw/zinc/47/95/79/1076479579.db2.gz FVOZBMJREQEJMH-UHFFFAOYSA-N 0 0 408.498 2.457 20 0 HEADRN C[C@H](OC(=O)CN1CCc2ccccc21)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000741333698 1076480483 /nfs/dbraw/zinc/48/04/83/1076480483.db2.gz TVBGLJBQGAZXHQ-KRWDZBQOSA-N 0 0 409.486 2.456 20 0 HEADRN C[C@@H](OC(=O)c1cccc(CN2CCOCC2)c1)C(=O)NC(=O)NC1CCCCC1 ZINC000741336823 1076481472 /nfs/dbraw/zinc/48/14/72/1076481472.db2.gz NKFQLUDXFQRCSV-MRXNPFEDSA-N 0 0 417.506 2.223 20 0 HEADRN C[C@@H](OC(=O)CCCc1ccccn1)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000741337089 1076481611 /nfs/dbraw/zinc/48/16/11/1076481611.db2.gz KFOXDKMJWOKDJA-CQSZACIVSA-N 0 0 413.430 2.456 20 0 HEADRN O=C(OCCCN1C(=O)c2ccccc2C1=O)c1cccc(CN2CCOCC2)c1 ZINC000741337774 1076482011 /nfs/dbraw/zinc/48/20/11/1076482011.db2.gz WMWDZLNAUFJIFG-UHFFFAOYSA-N 0 0 408.454 2.362 20 0 HEADRN CC(C)CNC(=O)N1CCC[C@H](C(=O)OCC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000741357321 1076483895 /nfs/dbraw/zinc/48/38/95/1076483895.db2.gz IQEYKZIXEXMULI-WMZOPIPTSA-N 0 0 417.506 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ZINC000742905438 1076895552 /nfs/dbraw/zinc/89/55/52/1076895552.db2.gz NLKJWCSBFAOMCI-FUHWJXTLSA-N 0 0 414.487 2.145 20 0 HEADRN CCc1ccc(N2CCN(C(=O)CCn3c4ccccc4c(=O)[nH]c3=O)CC2)cc1 ZINC000742903836 1076895594 /nfs/dbraw/zinc/89/55/94/1076895594.db2.gz OBPSUVKHJHZXJG-UHFFFAOYSA-N 0 0 406.486 2.403 20 0 HEADRN O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1cc(Cl)nc(N2CCCC2)c1 ZINC000742905005 1076895716 /nfs/dbraw/zinc/89/57/16/1076895716.db2.gz LTCIZNGVFJSXLT-ZDUSSCGKSA-N 0 0 409.899 2.144 20 0 HEADRN C[C@H]1C[C@H](NC(=O)c2ccoc2COc2ccc(C=O)cc2)C(=O)N1c1cnn(C)c1 ZINC000742907493 1076896287 /nfs/dbraw/zinc/89/62/87/1076896287.db2.gz NUVMTRGNXGOEBR-LIRRHRJNSA-N 0 0 422.441 2.328 20 0 HEADRN CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N1CCN(c2nc(CC)ns2)CC1 ZINC000742907201 1076896295 /nfs/dbraw/zinc/89/62/95/1076896295.db2.gz WDDCTRYUEXGAGA-XMRSSTEGSA-N 0 0 409.581 2.007 20 0 HEADRN C[C@H]1C[C@H](NC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)N1c1cnn(C)c1 ZINC000742907158 1076896328 /nfs/dbraw/zinc/89/63/28/1076896328.db2.gz KBQLWPPWFHXMAT-YOEHRIQHSA-N 0 0 419.526 2.067 20 0 HEADRN CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N1CCN(c2nc(CC)ns2)CC1 ZINC000742907199 1076896338 /nfs/dbraw/zinc/89/63/38/1076896338.db2.gz WDDCTRYUEXGAGA-BLXFFLACSA-N 0 0 409.581 2.007 20 0 HEADRN C[C@@H](NC(=O)CCc1nc(-c2nc[nH]n2)no1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000742936838 1076896404 /nfs/dbraw/zinc/89/64/04/1076896404.db2.gz VXAMJRWDNMOVKP-SECBINFHSA-N 0 0 414.813 2.368 20 0 HEADRN COCCn1nc(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)ccc1=O ZINC000742934988 1076896465 /nfs/dbraw/zinc/89/64/65/1076896465.db2.gz IRFLZNVTPBFTAF-LLVKDONJSA-N 0 0 403.826 2.084 20 0 HEADRN Cc1nc2cc(NC(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)ccc2n1C ZINC000742944711 1076896809 /nfs/dbraw/zinc/89/68/09/1076896809.db2.gz ANZTWVHFAXVWQZ-NRFANRHFSA-N 0 0 409.421 2.427 20 0 HEADRN CCO[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N(CC)C3=O)C12CCCC2 ZINC000742915316 1076897052 /nfs/dbraw/zinc/89/70/52/1076897052.db2.gz IBKNMENQOKHZGG-IAGOWNOFSA-N 0 0 406.504 2.319 20 0 HEADRN CCO[C@@H]1C[C@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C12CCCC2 ZINC000742918063 1076897508 /nfs/dbraw/zinc/89/75/08/1076897508.db2.gz KKXSEBGZGWYYMY-FGTMMUONSA-N 0 0 402.470 2.100 20 0 HEADRN COc1cccc(-c2noc([C@H](C)NC(=O)c3ccc(N4CCOCC4)nc3)n2)c1 ZINC000742925190 1076898404 /nfs/dbraw/zinc/89/84/04/1076898404.db2.gz JCXMKJPZVKLKIQ-AWEZNQCLSA-N 0 0 409.446 2.468 20 0 HEADRN COC(=O)CCN(C(=O)C1CCN(C(=O)c2ccccc2)CC1)C1CCOCC1 ZINC000742968950 1076899025 /nfs/dbraw/zinc/89/90/25/1076899025.db2.gz TZVQWQVEMVGHCB-UHFFFAOYSA-N 0 0 402.491 2.110 20 0 HEADRN CON(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)cc1 ZINC000742969396 1076899043 /nfs/dbraw/zinc/89/90/43/1076899043.db2.gz AKHPPFPJRSEBBF-HNAYVOBHSA-N 0 0 404.488 2.471 20 0 HEADRN COc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)cc1N1CCOC1=O ZINC000742946756 1076899322 /nfs/dbraw/zinc/89/93/22/1076899322.db2.gz KGCXMYDAHCWNGY-FQEVSTJZSA-N 0 0 411.458 2.491 20 0 HEADRN CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(OC)c(N4CCOC4=O)c3)ccc2c1=O ZINC000742949799 1076899614 /nfs/dbraw/zinc/89/96/14/1076899614.db2.gz HJTKTNGTAUAIPP-UHFFFAOYSA-N 0 0 424.413 2.340 20 0 HEADRN COc1ccc(NC(=O)CSc2nnnn2C2CCCC2)cc1N1CCOC1=O ZINC000742950170 1076899701 /nfs/dbraw/zinc/89/97/01/1076899701.db2.gz NQOWLVXHCLEQPK-UHFFFAOYSA-N 0 0 418.479 2.484 20 0 HEADRN CCC(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)C1 ZINC000742952348 1076900219 /nfs/dbraw/zinc/90/02/19/1076900219.db2.gz ORSUXOOLHOWRCX-CYBMUJFWSA-N 0 0 416.927 2.351 20 0 HEADRN COc1ccc(NC(=O)[C@H](C)Sc2nnnn2C2CC2)cc1N1CCOC1=O ZINC000742952967 1076902033 /nfs/dbraw/zinc/90/20/33/1076902033.db2.gz JDCQUQFHMNFVHN-JTQLQIEISA-N 0 0 404.452 2.093 20 0 HEADRN CCOc1cn(-c2ccccc2)nc1C(=O)N(CCC(=O)OC)C1CCOCC1 ZINC000742962305 1076907844 /nfs/dbraw/zinc/90/78/44/1076907844.db2.gz IBUCGMIUJFBMAL-UHFFFAOYSA-N 0 0 401.463 2.455 20 0 HEADRN COC(=O)CCN(C(=O)c1ccc(CSc2nc[nH]n2)cc1)C1CCOCC1 ZINC000742962085 1076908808 /nfs/dbraw/zinc/90/88/08/1076908808.db2.gz FXYKLSYFDFMNRG-UHFFFAOYSA-N 0 0 404.492 2.281 20 0 HEADRN FC(F)(F)CNC(=S)NNC(=S)NCc1ccc(OC(F)(F)F)cc1 ZINC000742991167 1076914855 /nfs/dbraw/zinc/91/48/55/1076914855.db2.gz PASAWHNYWWDMCV-UHFFFAOYSA-N 0 0 406.377 2.491 20 0 HEADRN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=S)N[C@H]2CCc3ccccc3C2)C1 ZINC000742992556 1076915494 /nfs/dbraw/zinc/91/54/94/1076915494.db2.gz KSJWGGSWHONDDN-MOPGFXCFSA-N 0 0 417.575 2.152 20 0 HEADRN CCOC(=O)C1CCN(C(=O)CN(C)C(=S)N[C@@H]2CCc3ccccc3C2)CC1 ZINC000742992340 1076915630 /nfs/dbraw/zinc/91/56/30/1076915630.db2.gz IPLKCTGDOOKSNT-LJQANCHMSA-N 0 0 417.575 2.152 20 0 HEADRN O=C1NC2(CCCC2)C(=O)N1CCCNC(=S)N[C@H]1CCc2ccccc2C1 ZINC000742978202 1076920534 /nfs/dbraw/zinc/92/05/34/1076920534.db2.gz VEVAOUKAWQSPQK-KRWDZBQOSA-N 0 0 400.548 2.263 20 0 HEADRN O=C(COC(=O)CCOc1ccc(Cl)cc1Br)NC(=O)NC1CC1 ZINC000743001589 1076922000 /nfs/dbraw/zinc/92/20/00/1076922000.db2.gz JMXDCQQEGWKFLT-UHFFFAOYSA-N 0 0 419.659 2.403 20 0 HEADRN COc1ccc(Cl)c(NC(=S)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000743001005 1076923560 /nfs/dbraw/zinc/92/35/60/1076923560.db2.gz WBYBCVDTURGGBP-CYBMUJFWSA-N 0 0 421.972 2.124 20 0 HEADRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=S)NCCc2cccnc2)cc1 ZINC000743008326 1076924544 /nfs/dbraw/zinc/92/45/44/1076924544.db2.gz GLDUSGRHEUWTAX-CQSZACIVSA-N 0 0 400.504 2.292 20 0 HEADRN O=C(COC(=O)c1cccc2c1OCCO2)NCc1ccccc1CN1CCCC1=O ZINC000743012304 1076926118 /nfs/dbraw/zinc/92/61/18/1076926118.db2.gz SRGIIPKJLANRSG-UHFFFAOYSA-N 0 0 424.453 2.053 20 0 HEADRN COc1ccc(CNC(=S)N(C)CCNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000743027152 1076930426 /nfs/dbraw/zinc/93/04/26/1076930426.db2.gz NTMCELZRFHBDNV-UHFFFAOYSA-N 0 0 407.561 2.288 20 0 HEADRN Cc1ccc(S(=O)(=O)NCCN(C)C(=S)Nc2ccc3c(c2)OCCO3)cc1 ZINC000743027140 1076930740 /nfs/dbraw/zinc/93/07/40/1076930740.db2.gz NOQZMAKJKDFQDW-UHFFFAOYSA-N 0 0 421.544 2.373 20 0 HEADRN O=C1CCCN1CCS(=O)(=O)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000743039417 1076931961 /nfs/dbraw/zinc/93/19/61/1076931961.db2.gz CPBIBXSDQRVFQZ-UHFFFAOYSA-N 0 0 403.382 2.293 20 0 HEADRN CCN(C(=O)[C@@H](C)OC(=O)c1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000743041743 1076933617 /nfs/dbraw/zinc/93/36/17/1076933617.db2.gz ILUFQQTXVXLRAI-MWLCHTKSSA-N 0 0 424.338 2.092 20 0 HEADRN O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000743040960 1076933656 /nfs/dbraw/zinc/93/36/56/1076933656.db2.gz RGIISSATBDFAEN-UHFFFAOYSA-N 0 0 413.430 2.222 20 0 HEADRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=S)NCCc2cccnc2)cc1F ZINC000743030460 1076941451 /nfs/dbraw/zinc/94/14/51/1076941451.db2.gz ASLFCTYAFGUKNA-CYBMUJFWSA-N 0 0 418.494 2.431 20 0 HEADRN CN(CCCNC(=S)N(CC(=O)N1CCCC1)C[C@H]1CCCO1)c1ccccc1 ZINC000743029875 1076941689 /nfs/dbraw/zinc/94/16/89/1076941689.db2.gz YOTVNDUMNLKKQN-HXUWFJFHSA-N 0 0 418.607 2.491 20 0 HEADRN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)NCCOC2CCC2)c1 ZINC000743073449 1076943556 /nfs/dbraw/zinc/94/35/56/1076943556.db2.gz SAFUYTQERGGSCH-UHFFFAOYSA-N 0 0 412.556 2.474 20 0 HEADRN Cc1cc(NC(=O)NCc2cccnc2-n2ccnc2)n(-c2nc(C)cc(C)n2)n1 ZINC000743081201 1076943983 /nfs/dbraw/zinc/94/39/83/1076943983.db2.gz ZARLTYPDYSKSAZ-UHFFFAOYSA-N 0 0 403.450 2.490 20 0 HEADRN CON(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000743081470 1076947118 /nfs/dbraw/zinc/94/71/18/1076947118.db2.gz BPCKHGUTDCRORS-NSHDSACASA-N 0 0 411.484 2.432 20 0 HEADRN O=S(=O)(Cc1nnnn1-c1ccc(OC(F)F)cc1)Cc1cccc(Cl)n1 ZINC000743068176 1076949514 /nfs/dbraw/zinc/94/95/14/1076949514.db2.gz RQZIPJYQUKJEMJ-UHFFFAOYSA-N 0 0 415.809 2.427 20 0 HEADRN O=C(COC(=O)c1csc(-c2ncccn2)n1)NCCc1c(F)cccc1F ZINC000144912729 1076951700 /nfs/dbraw/zinc/95/17/00/1076951700.db2.gz SPJCXHONWUOCIQ-UHFFFAOYSA-N 0 0 404.398 2.394 20 0 HEADRN CN(C[C@H]1CCCN1C(=O)Nc1ccc(OCC(N)=O)cc1)C(=O)OC(C)(C)C ZINC000743097835 1076952613 /nfs/dbraw/zinc/95/26/13/1076952613.db2.gz XTKWPXLZXMQUJS-OAHLLOKOSA-N 0 0 406.483 2.414 20 0 HEADRN CCOC(=O)Nc1ccc(NC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1 ZINC000743099052 1076953728 /nfs/dbraw/zinc/95/37/28/1076953728.db2.gz RBXMVFIUCWCWBI-WBMJQRKESA-N 0 0 400.439 2.304 20 0 HEADRN C[C@H](NC(=O)[C@H](C)OC(=O)CNC(=O)OC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000743102880 1076954421 /nfs/dbraw/zinc/95/44/21/1076954421.db2.gz YUAVVKBIDBPOHK-STQMWFEESA-N 0 0 408.451 2.091 20 0 HEADRN CC(C)(C)OC(=O)NCC(=O)OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000743104839 1076955073 /nfs/dbraw/zinc/95/50/73/1076955073.db2.gz PYVCMDQFRQBOIU-OAHLLOKOSA-N 0 0 420.462 2.189 20 0 HEADRN C[C@@H]1C[C@@H](NC(=O)Nc2cc3c(cc2Cl)OCCO3)C(=O)N1c1cnn(C)c1 ZINC000743085110 1076956253 /nfs/dbraw/zinc/95/62/53/1076956253.db2.gz USPFOWICDYOCNT-QMTHXVAHSA-N 0 0 405.842 2.160 20 0 HEADRN Cc1cc([C@@](C)(O)CNC(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)c(C)o1 ZINC000743087561 1076956988 /nfs/dbraw/zinc/95/69/88/1076956988.db2.gz PMXHLQUZJNBFIX-QFIPXVFZSA-N 0 0 414.506 2.313 20 0 HEADRN CN1CC(=O)N(c2cccc(NC(=O)N3CCCC[C@@H]3CN3CCCC3=O)c2)C1=O ZINC000743108162 1076957467 /nfs/dbraw/zinc/95/74/67/1076957467.db2.gz KTXGOHIEXCZVTM-QGZVFWFLSA-N 0 0 413.478 2.094 20 0 HEADRN CSC(C)(C)CNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000743111765 1076959886 /nfs/dbraw/zinc/95/98/86/1076959886.db2.gz YVKZDEMESCQNKM-UHFFFAOYSA-N 0 0 405.517 2.110 20 0 HEADRN C[C@@H]1C[C@H](NC(=O)Nc2ccc(N3CCCC3)c(F)c2)C(=O)N1c1cnn(C)c1 ZINC000743115731 1076962784 /nfs/dbraw/zinc/96/27/84/1076962784.db2.gz WSDXOZKKYLWSKM-DYVFJYSZSA-N 0 0 400.458 2.475 20 0 HEADRN Cc1cc(N2CC[C@@H](NC(=O)Nc3ccc(N4CCCC4)c(F)c3)C2=O)n(C)n1 ZINC000743115160 1076963501 /nfs/dbraw/zinc/96/35/01/1076963501.db2.gz UNNSYXGQISPHKJ-MRXNPFEDSA-N 0 0 400.458 2.395 20 0 HEADRN CC(C)[C@@H](OC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCOCC1 ZINC000743129683 1076967326 /nfs/dbraw/zinc/96/73/26/1076967326.db2.gz GLUJVWSTEBMHQW-GOSISDBHSA-N 0 0 412.527 2.450 20 0 HEADRN CCN1CCN(C(=O)c2ccc(NC(=O)N(C)Cc3nnc4ccccn43)cc2)CC1 ZINC000743130950 1076967523 /nfs/dbraw/zinc/96/75/23/1076967523.db2.gz VEYQIZFWSWPUGL-UHFFFAOYSA-N 0 0 421.505 2.171 20 0 HEADRN Cc1ccc(NC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1NS(C)(=O)=O ZINC000743151078 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410.500 2.105 20 0 HEADRN CCc1ncnc(N2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1F ZINC000767209809 1079737674 /nfs/dbraw/zinc/73/76/74/1079737674.db2.gz SPUBVTAEPXLLIA-OAHLLOKOSA-N 0 0 421.517 2.474 20 0 HEADRN Cn1cc(C(=O)OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(-c2ccccc2)n1 ZINC000772170282 1079738097 /nfs/dbraw/zinc/73/80/97/1079738097.db2.gz UNJHEACWKRDYKS-UHFFFAOYSA-N 0 0 413.455 2.286 20 0 HEADRN Cc1ccc(-c2cc(-c3nnc(SCC4(CS(C)(=O)=O)CC4)n3N)n[nH]2)cc1 ZINC000767210525 1079738215 /nfs/dbraw/zinc/73/82/15/1079738215.db2.gz YNTCUCZPCPIYRY-UHFFFAOYSA-N 0 0 418.548 2.274 20 0 HEADRN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)C1 ZINC000772174770 1079738816 /nfs/dbraw/zinc/73/88/16/1079738816.db2.gz CQRXSXCPVGSRIH-NSHDSACASA-N 0 0 414.300 2.465 20 0 HEADRN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCCC[C@H](SC)C3)C2=O)cc1 ZINC000772173497 1079738854 /nfs/dbraw/zinc/73/88/54/1079738854.db2.gz AVZHYKWDIUMVLX-OXJNMPFZSA-N 0 0 405.520 2.206 20 0 HEADRN COc1ccc(COCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cc1 ZINC000772174504 1079739274 /nfs/dbraw/zinc/73/92/74/1079739274.db2.gz HTPGUDDUYVTGKU-UHFFFAOYSA-N 0 0 408.476 2.019 20 0 HEADRN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)OCc2ncc(Cl)s2)C1=O ZINC000772207959 1079740004 /nfs/dbraw/zinc/74/00/04/1079740004.db2.gz QVIYNIQHMQYOAQ-QGZVFWFLSA-N 0 0 409.851 2.316 20 0 HEADRN CON(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)cc1 ZINC000772208332 1079740817 /nfs/dbraw/zinc/74/08/17/1079740817.db2.gz XZQGRHCWVVYLPH-CYBMUJFWSA-N 0 0 421.401 2.027 20 0 HEADRN C[C@@H]1CN(c2ccc(NC(=O)CSc3nnc(CO)n3C3CC3)cc2)C[C@H](C)O1 ZINC000767213617 1079741065 /nfs/dbraw/zinc/74/10/65/1079741065.db2.gz CRHILSLQFNKGQD-OKILXGFUSA-N 0 0 417.535 2.450 20 0 HEADRN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C3CC3)cc2)CC1 ZINC000772209051 1079741882 /nfs/dbraw/zinc/74/18/82/1079741882.db2.gz JGTJAKRZHILGOC-QGZVFWFLSA-N 0 0 412.534 2.048 20 0 HEADRN C[C@](O)(C1CCN(c2ccc(S(N)(=O)=O)c3cccnc32)CC1)C(F)(F)F ZINC000767215512 1079742857 /nfs/dbraw/zinc/74/28/57/1079742857.db2.gz YGIKZSDCRYCZJG-INIZCTEOSA-N 0 0 403.426 2.412 20 0 HEADRN CCOC(=O)N(C)C1CCN(C(=O)C(=O)Nc2cc(C)n(-c3ccccc3)n2)CC1 ZINC000772216783 1079743455 /nfs/dbraw/zinc/74/34/55/1079743455.db2.gz BWKMLWPVXSFEOT-UHFFFAOYSA-N 0 0 413.478 2.199 20 0 HEADRN CCCc1cc(NC(=O)C(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n(C)n1 ZINC000772218724 1079744573 /nfs/dbraw/zinc/74/45/73/1079744573.db2.gz KWZIKOABYRMEOS-CQSZACIVSA-N 0 0 407.515 2.027 20 0 HEADRN COc1ccc(/C=C/C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1O ZINC000772219371 1079745251 /nfs/dbraw/zinc/74/52/51/1079745251.db2.gz UTVHWOSXTRZRPC-VQHVLOKHSA-N 0 0 419.522 2.473 20 0 HEADRN CCCCc1nnc(NC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)s1 ZINC000772223984 1079747403 /nfs/dbraw/zinc/74/74/03/1079747403.db2.gz CYNDMJCCAOBZDG-UHFFFAOYSA-N 0 0 404.496 2.450 20 0 HEADRN COC[C@H]1CCCCN(C(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)C1 ZINC000767224564 1079749405 /nfs/dbraw/zinc/74/94/05/1079749405.db2.gz OLSGGTKAXQSVLT-AOMKIAJQSA-N 0 0 417.506 2.046 20 0 HEADRN COc1ccc(CN2CCCN(C(=O)[C@H]3CC(c4ccccc4)=NO3)CC2=O)cc1 ZINC000767224133 1079749494 /nfs/dbraw/zinc/74/94/94/1079749494.db2.gz LBGHZQZQRSVYNC-OAQYLSRUSA-N 0 0 407.470 2.449 20 0 HEADRN Cc1cc(NC(=O)C(=O)N(C)CCCNC(=O)OC(C)(C)C)nn1-c1ccccc1 ZINC000772226699 1079750043 /nfs/dbraw/zinc/75/00/43/1079750043.db2.gz CVGFQGIIICPNKB-UHFFFAOYSA-N 0 0 415.494 2.492 20 0 HEADRN Cc1ncc(CCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)s1 ZINC000772228773 1079750915 /nfs/dbraw/zinc/75/09/15/1079750915.db2.gz RQJZHLZPAOHCLL-UHFFFAOYSA-N 0 0 405.501 2.496 20 0 HEADRN CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000767229924 1079751625 /nfs/dbraw/zinc/75/16/25/1079751625.db2.gz KDVGUMPCNHRZDQ-QGZVFWFLSA-N 0 0 405.472 2.222 20 0 HEADRN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)OC[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000772189611 1079752386 /nfs/dbraw/zinc/75/23/86/1079752386.db2.gz FDJUWZJKXJZHRX-JKSUJKDBSA-N 0 0 406.435 2.191 20 0 HEADRN O=C(OCc1cn(-c2ccccc2Cl)nn1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000772190166 1079752814 /nfs/dbraw/zinc/75/28/14/1079752814.db2.gz ADIMWVSTHXKKBM-CQSZACIVSA-N 0 0 411.849 2.408 20 0 HEADRN CS[C@H]1CC[C@H](NC(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)C1 ZINC000767233635 1079753698 /nfs/dbraw/zinc/75/36/98/1079753698.db2.gz ZCQUHBCEPYHHTK-RDJZCZTQSA-N 0 0 412.581 2.174 20 0 HEADRN C[C@@H](C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000772194107 1079755415 /nfs/dbraw/zinc/75/54/15/1079755415.db2.gz IFWABBLHCZBPSP-QLFBSQMISA-N 0 0 422.526 2.144 20 0 HEADRN NC(=O)[C@H]1CC(C(=O)OCc2cn(-c3ccccc3Cl)nn2)=NN1c1ccccc1 ZINC000772195299 1079756136 /nfs/dbraw/zinc/75/61/36/1079756136.db2.gz NXXUFAFGVZHYPT-GOSISDBHSA-N 0 0 424.848 2.084 20 0 HEADRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000772198738 1079757815 /nfs/dbraw/zinc/75/78/15/1079757815.db2.gz WLBQUQBCTCJPGG-OLZOCXBDSA-N 0 0 400.497 2.342 20 0 HEADRN CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)CNC(=O)Cc2cccc(F)c2)C2CC2)C1 ZINC000772198121 1079758033 /nfs/dbraw/zinc/75/80/33/1079758033.db2.gz BRWYPKGKYSSURH-SFHVURJKSA-N 0 0 419.497 2.485 20 0 HEADRN COc1cc(NC(=O)c2cc(S(C)(=O)=O)cs2)c(C(=O)N(C)C)cc1OC ZINC000767240085 1079760632 /nfs/dbraw/zinc/76/06/32/1079760632.db2.gz IHBYVLWKAXYGPQ-UHFFFAOYSA-N 0 0 412.489 2.123 20 0 HEADRN O=C(CCS(=O)(=O)NCCNC(=O)c1ccccc1Cl)OCc1ccccc1 ZINC000767241674 1079761280 /nfs/dbraw/zinc/76/12/80/1079761280.db2.gz RDQSNEXCANPXTC-UHFFFAOYSA-N 0 0 424.906 2.123 20 0 HEADRN CC(C)[C@H]1C[C@H](NC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CCO1 ZINC000772201252 1079761302 /nfs/dbraw/zinc/76/13/02/1079761302.db2.gz UJGSDIMHNPDOIC-DGCLKSJQSA-N 0 0 405.314 2.030 20 0 HEADRN CC(C)(C)C(=O)Cn1cc(C(=O)OCc2cn(-c3ccccc3Cl)nn2)nn1 ZINC000772203978 1079762226 /nfs/dbraw/zinc/76/22/26/1079762226.db2.gz XCTWDEULXIWJIG-UHFFFAOYSA-N 0 0 402.842 2.484 20 0 HEADRN COCc1ccc([C@@H]2CCCN2C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)o1 ZINC000767244735 1079764027 /nfs/dbraw/zinc/76/40/27/1079764027.db2.gz DJDFJKHPUUOFHB-ROUUACIJSA-N 0 0 414.437 2.349 20 0 HEADRN CNS(=O)(=O)c1cccc(S(=O)(=O)Oc2ccccc2OC(F)(F)F)c1 ZINC000767245599 1079764192 /nfs/dbraw/zinc/76/41/92/1079764192.db2.gz ZUKKHEUZHWVLQI-UHFFFAOYSA-N 0 0 411.379 2.261 20 0 HEADRN COC(=O)[C@@H](OC(=O)Cn1ccc(C(F)(F)F)n1)c1cc(OC)cc(OC)c1 ZINC000767268752 1079765365 /nfs/dbraw/zinc/76/53/65/1079765365.db2.gz WQUFSRKUEGXIAL-HNNXBMFYSA-N 0 0 402.325 2.377 20 0 HEADRN COC(=O)[C@H](OC(=O)Cn1ccc(C(F)(F)F)n1)c1cc(OC)cc(OC)c1 ZINC000767268753 1079765590 /nfs/dbraw/zinc/76/55/90/1079765590.db2.gz WQUFSRKUEGXIAL-OAHLLOKOSA-N 0 0 402.325 2.377 20 0 HEADRN C[C@@H](C(=O)OCC(=O)COc1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000767269963 1079766095 /nfs/dbraw/zinc/76/60/95/1079766095.db2.gz KUCKTYMGKKQZNI-ZLIFDBKOSA-N 0 0 407.850 2.395 20 0 HEADRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2ccc(C)cn2)o1 ZINC000772262505 1079767101 /nfs/dbraw/zinc/76/71/01/1079767101.db2.gz KFVPPWVPZLIYFM-HNNXBMFYSA-N 0 0 422.459 2.056 20 0 HEADRN C[C@@H]1CN(c2ccnc(C(=O)N3CCC[C@H](N4CCCCC4=O)C3)c2)C[C@H](C)O1 ZINC000772264004 1079767841 /nfs/dbraw/zinc/76/78/41/1079767841.db2.gz AETJOLYLVAUQLS-SCTDSRPQSA-N 0 0 400.523 2.312 20 0 HEADRN Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)CCS(=O)(=O)N(C)C)o1 ZINC000772265766 1079768529 /nfs/dbraw/zinc/76/85/29/1079768529.db2.gz JQFXVODYNRVZAW-UHFFFAOYSA-N 0 0 420.447 2.025 20 0 HEADRN O=C(COC(=O)c1cccc(NC(=O)C2CC2)c1)CN1C(=O)c2ccccc2C1=O ZINC000767271680 1079768877 /nfs/dbraw/zinc/76/88/77/1079768877.db2.gz LFTUEQBACRZITR-UHFFFAOYSA-N 0 0 406.394 2.057 20 0 HEADRN CCOC(=O)N(C)c1ccc(NC(=O)N2C[C@H](CO)C[C@H](OCCOC)C2)cc1 ZINC000772266337 1079769842 /nfs/dbraw/zinc/76/98/42/1079769842.db2.gz HTNVPHHJXJGGOO-QAPCUYQASA-N 0 0 409.483 2.157 20 0 HEADRN Cc1cc(C(=O)O[C@@H]2CCCNC2=O)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000767273878 1079770231 /nfs/dbraw/zinc/77/02/31/1079770231.db2.gz KXSYUTQGMZYVBE-QGZVFWFLSA-N 0 0 408.520 2.159 20 0 HEADRN O=C(CCN1C(=O)c2ccccc2C1=O)COC(=O)c1cccnc1N1CCCC1 ZINC000767272311 1079770244 /nfs/dbraw/zinc/77/02/44/1079770244.db2.gz HLLLWEJXWDUEEG-UHFFFAOYSA-N 0 0 407.426 2.094 20 0 HEADRN CC[C@]1(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)CCCN1C(=O)OC(C)(C)C ZINC000772268937 1079770547 /nfs/dbraw/zinc/77/05/47/1079770547.db2.gz OSLAPIBHKSVIQQ-LVXYXVKQSA-N 0 0 422.526 2.003 20 0 HEADRN Cc1nc(C)c(C(=O)COC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)o1 ZINC000767273758 1079770695 /nfs/dbraw/zinc/77/06/95/1079770695.db2.gz HKFIDMVCPXEGHM-CQSZACIVSA-N 0 0 424.450 2.257 20 0 HEADRN O=C(COC(=O)CSc1ccc(F)c(F)c1)CN1C(=O)c2ccccc2C1=O ZINC000767273413 1079770780 /nfs/dbraw/zinc/77/07/80/1079770780.db2.gz VTDVEZVTKSVSAN-UHFFFAOYSA-N 0 0 405.378 2.465 20 0 HEADRN COC(=O)NCc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000772271164 1079773504 /nfs/dbraw/zinc/77/35/04/1079773504.db2.gz YYEHRVXJRAHEKJ-MJGOQNOKSA-N 0 0 411.458 2.375 20 0 HEADRN CC(C)(C)OC(=O)c1ccc(COC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000772272735 1079774503 /nfs/dbraw/zinc/77/45/03/1079774503.db2.gz QYEIMKIQOOIAGX-UHFFFAOYSA-N 0 0 402.447 2.454 20 0 HEADRN 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CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)cc2C1 ZINC000769556053 1081123641 /nfs/dbraw/zinc/12/36/41/1081123641.db2.gz KWUIWCJIBBDZBL-QGZVFWFLSA-N 0 0 423.535 2.091 20 0 HEADRN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000769569756 1081128657 /nfs/dbraw/zinc/12/86/57/1081128657.db2.gz GACJMMLNNCGRSF-MRXNPFEDSA-N 0 0 406.433 2.306 20 0 HEADRN CCc1ccc(-n2nc(C(=O)N3CCCC[C@H]3CS(N)(=O)=O)c3c2CCC3)cc1 ZINC000769573969 1081130687 /nfs/dbraw/zinc/13/06/87/1081130687.db2.gz BWVIGCLGOPPKHS-KRWDZBQOSA-N 0 0 416.547 2.207 20 0 HEADRN NS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1cc2c(cccc2Br)[nH]1 ZINC000769576152 1081131247 /nfs/dbraw/zinc/13/12/47/1081131247.db2.gz KIGYYZBDCOLNOD-JTQLQIEISA-N 0 0 400.298 2.214 20 0 HEADRN NS(=O)(=O)C[C@H]1CCCCN1C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000769578345 1081132502 /nfs/dbraw/zinc/13/25/02/1081132502.db2.gz DOABKVNVCOINHZ-SNVBAGLBSA-N 0 0 401.460 2.372 20 0 HEADRN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCn2c(CCc3ccccc3)nnc2C1 ZINC000744599984 1081132634 /nfs/dbraw/zinc/13/26/34/1081132634.db2.gz IVBFTSITNGJSRZ-GOSISDBHSA-N 0 0 407.518 2.197 20 0 HEADRN COc1ccc(Nc2nc(C(=O)N3CCCC[C@H]3CS(N)(=O)=O)cs2)cc1 ZINC000769579528 1081133939 /nfs/dbraw/zinc/13/39/39/1081133939.db2.gz GLQTYOOWEMUNSV-ZDUSSCGKSA-N 0 0 410.521 2.179 20 0 HEADRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCCC[C@H]2CS(N)(=O)=O)cc1 ZINC000769581180 1081133975 /nfs/dbraw/zinc/13/39/75/1081133975.db2.gz CXAOTFBRIYXDQI-INIZCTEOSA-N 0 0 411.524 2.246 20 0 HEADRN NS(=O)(=O)C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000769582916 1081136115 /nfs/dbraw/zinc/13/61/15/1081136115.db2.gz KTDZKPVESCQBKS-OAHLLOKOSA-N 0 0 407.517 2.284 20 0 HEADRN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2CCCC[C@H]2CS(N)(=O)=O)c1 ZINC000769584872 1081136854 /nfs/dbraw/zinc/13/68/54/1081136854.db2.gz XHOZROOMIDKVAX-KRWDZBQOSA-N 0 0 409.552 2.088 20 0 HEADRN Cc1ccc(-n2nc(C(=O)N3CCCC[C@H]3CS(N)(=O)=O)c3c2CCC3)c(C)c1 ZINC000769585651 1081138348 /nfs/dbraw/zinc/13/83/48/1081138348.db2.gz PWTLPKKIAVHYRD-INIZCTEOSA-N 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COC(=O)[C@H](NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1)c1ccc(C)c(C)c1 ZINC000769631758 1081149137 /nfs/dbraw/zinc/14/91/37/1081149137.db2.gz ZJZNHONXRHCCML-KZNAEPCWSA-N 0 0 414.483 2.338 20 0 HEADRN CCC1(CC)CN(C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)CC[S@]1=O ZINC000769632938 1081150262 /nfs/dbraw/zinc/15/02/62/1081150262.db2.gz NLYBEIHNIBSUCT-AREMUKBSSA-N 0 0 418.556 2.276 20 0 HEADRN CCC1(CC)CN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)CC[S@@]1=O ZINC000769632446 1081150933 /nfs/dbraw/zinc/15/09/33/1081150933.db2.gz MTIWQCNRGMADAS-OKQJEPBTSA-N 0 0 412.577 2.117 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)NCc2ccc(COC)cc2)c(=O)[nH]c1=O ZINC000769633844 1081151671 /nfs/dbraw/zinc/15/16/71/1081151671.db2.gz RSDXDVXAJVYSAY-UHFFFAOYSA-N 0 0 409.508 2.154 20 0 HEADRN COC(=O)c1ccc(S(=O)(=O)Oc2ccc(C)cc2C(=O)NCC(C)C)cn1 ZINC000769638036 1081157183 /nfs/dbraw/zinc/15/71/83/1081157183.db2.gz NXGQLOQIENNPAB-UHFFFAOYSA-N 0 0 406.460 2.330 20 0 HEADRN O=C(COC(=O)c1coc(C2CCC2)n1)NCc1ccccc1CN1CCOCC1 ZINC000769637524 1081157971 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2.433 20 0 HEADRN C[C@@H](OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)Nc1ncnc2[nH]cnc21 ZINC000769606869 1081167680 /nfs/dbraw/zinc/16/76/80/1081167680.db2.gz CEUWSHPKIYWLFI-ZYHUDNBSSA-N 0 0 420.470 2.163 20 0 HEADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)OCC(=O)N1c2ccccc2C[C@H]1C ZINC000769608930 1081168828 /nfs/dbraw/zinc/16/88/28/1081168828.db2.gz XSFFVXLOSPGXGH-ZBFHGGJFSA-N 0 0 406.479 2.437 20 0 HEADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)OCCN1C(=O)CCC1=O ZINC000769610694 1081170036 /nfs/dbraw/zinc/17/00/36/1081170036.db2.gz GVSPAGBQTIMLOJ-SFHVURJKSA-N 0 0 402.447 2.213 20 0 HEADRN Cc1ccsc1[C@H](CO)NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000769615470 1081174017 /nfs/dbraw/zinc/17/40/17/1081174017.db2.gz IVWRMASZMVKOIS-HNNXBMFYSA-N 0 0 412.458 2.465 20 0 HEADRN Cc1cc2c(cc1C)O[C@@H](C(=O)NC[C@H]1CCn3ncc(C(=O)NC(C)C)c3C1)C2 ZINC000577521201 557121419 /nfs/dbraw/zinc/12/14/19/557121419.db2.gz RMBOWFKQMSVDCS-HRAATJIYSA-N 0 0 410.518 2.320 20 0 HEADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)C2 ZINC001164409362 718866865 /nfs/dbraw/zinc/86/68/65/718866865.db2.gz POVFQDKYWFBKJW-UHFFFAOYSA-N 0 0 411.800 2.286 20 0 HEADRN Cc1sc2nc(CN3CCCC3)nc(N3CCC4(CC3)COCC(=O)N4)c2c1C ZINC001164424434 718934452 /nfs/dbraw/zinc/93/44/52/718934452.db2.gz OYQIGJJMEUDEKD-UHFFFAOYSA-N 0 0 415.563 2.389 20 0 HEADRN CCOC(=O)[C@]12CCO[C@H]1CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)C2 ZINC001164434873 718979400 /nfs/dbraw/zinc/97/94/00/718979400.db2.gz WQJROZVGMQGBTB-MZPVMMEZSA-N 0 0 423.819 2.484 20 0 HEADRN CCc1nc(Cl)c(N2CCC3(CC2)C(=O)N(CCOC)CCN3C)c(Cl)n1 ZINC001164644106 719281368 /nfs/dbraw/zinc/28/13/68/719281368.db2.gz CXZRNXJMXBQWDI-UHFFFAOYSA-N 0 0 416.353 2.105 20 0 HEADRN COCCN1CCN(C)C2(CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)C1=O ZINC001164644443 719281604 /nfs/dbraw/zinc/28/16/04/719281604.db2.gz JPECMSCHRAPJQL-UHFFFAOYSA-N 0 0 413.497 2.042 20 0 HEADRN COCCN1CCN(C)C2(CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)C1=O ZINC001164644879 719281697 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/nfs/dbraw/zinc/77/16/43/719771643.db2.gz ITBDQCVYBDJOMA-ZIAGYGMSSA-N 0 0 409.824 2.372 20 0 HEADRN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(F)(F)c2cc(Cl)ncc2F)C1 ZINC001164695897 719828233 /nfs/dbraw/zinc/82/82/33/719828233.db2.gz GNEPWMZMJLYCAZ-NSHDSACASA-N 0 0 417.819 2.015 20 0 HEADRN CCOc1ccc2ncnc(N3CC[C@H](N4CCOCC4)C[C@@]3(C)C(=O)OC)c2c1 ZINC001164699479 719856730 /nfs/dbraw/zinc/85/67/30/719856730.db2.gz FQFDWPZKDHSUJN-AOMKIAJQSA-N 0 0 414.506 2.261 20 0 HEADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(C)c2cc(OC)ccc2n1 ZINC001164705172 719858766 /nfs/dbraw/zinc/85/87/66/719858766.db2.gz UBTYTXUNDGUVRG-ZHRRBRCNSA-N 0 0 414.506 2.180 20 0 HEADRN CCCN(CCC)c1cncc(N2CC[C@@H](N3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164706703 719862432 /nfs/dbraw/zinc/86/24/32/719862432.db2.gz YMPCYTQYUXJWRD-XMSQKQJNSA-N 0 0 419.570 2.336 20 0 HEADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(SC)cnc1Cl ZINC001164706642 719865620 /nfs/dbraw/zinc/86/56/20/719865620.db2.gz QFNVVJZMVQBAIW-SJKOYZFVSA-N 0 0 400.932 2.085 20 0 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O=C([C@@H]1COC[C@@H]2CN(C(F)(F)Oc3cccc(Cl)n3)C[C@@H]21)N1CCCCO1 ZINC001164707891 719914117 /nfs/dbraw/zinc/91/41/17/719914117.db2.gz YFZPFCQOCHYWQV-MELADBBJSA-N 0 0 417.840 2.413 20 0 HEADRN Cc1cccc2ccnc(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)c12 ZINC001164708328 719931635 /nfs/dbraw/zinc/93/16/35/719931635.db2.gz JLUUEEIZBWDVLK-UHFFFAOYSA-N 0 0 404.518 2.227 20 0 HEADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cc(-c3ccccc3)ccn1)CC2 ZINC001164702521 720047417 /nfs/dbraw/zinc/04/74/17/720047417.db2.gz GQVRUTXOUWLRKJ-UHFFFAOYSA-N 0 0 416.529 2.432 20 0 HEADRN O=C(N[C@@H]1CN(C(F)(F)c2cccnc2Cl)C[C@H]2CCCO[C@@H]21)c1cnccn1 ZINC001164711982 720050318 /nfs/dbraw/zinc/05/03/18/720050318.db2.gz JCYWYNVUWOCBIB-WQVCFCJDSA-N 0 0 423.851 2.484 20 0 HEADRN Cc1noc([C@@]23COC[C@H]2CN(C(F)(F)c2cnc4c(Cl)ncnc4c2)C3)n1 ZINC001164808737 720059078 /nfs/dbraw/zinc/05/90/78/720059078.db2.gz YUUPEFZDRMPQSA-BZNIZROVSA-N 0 0 408.796 2.319 20 0 HEADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3COC[C@@]3(c3nc(C)no3)C2)c1 ZINC001164803226 720059334 /nfs/dbraw/zinc/05/93/34/720059334.db2.gz JMRMVBPNDSPMIB-BZNIZROVSA-N 0 0 414.796 2.162 20 0 HEADRN CCO[C@@H]1CN(C(F)(F)c2cnc(Cl)c(S(C)(=O)=O)c2)[C@H]2CCCO[C@@H]12 ZINC001164717444 720067336 /nfs/dbraw/zinc/06/73/36/720067336.db2.gz YWEOGTUSSSBQKU-OUCADQQQSA-N 0 0 410.870 2.456 20 0 HEADRN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc3ncnc(Cl)c3n2)cn1 ZINC001164712797 720071803 /nfs/dbraw/zinc/07/18/03/720071803.db2.gz QHTMPVSPCCCVFJ-QWHCGFSZSA-N 0 0 419.823 2.341 20 0 HEADRN O=C(CO[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1ccnc(Cl)n1)N1CCCC1 ZINC001164712428 720079238 /nfs/dbraw/zinc/07/92/38/720079238.db2.gz PUHCJICSIFFOAS-IOASZLSFSA-N 0 0 416.856 2.050 20 0 HEADRN O=C(CO[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1ccc(Cl)nn1)N1CCCC1 ZINC001164709814 720081281 /nfs/dbraw/zinc/08/12/81/720081281.db2.gz GBSOHTNIUZXGPR-PBFPGSCMSA-N 0 0 416.856 2.050 20 0 HEADRN CN(C)c1cc(Cl)nc(C(F)(F)N2CCc3nnc(Cn4cccc4)n3CC2)n1 ZINC001164709366 720089523 /nfs/dbraw/zinc/08/95/23/720089523.db2.gz DJPMAPNZXZDURE-UHFFFAOYSA-N 0 0 422.871 2.245 20 0 HEADRN CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc(C)c4cc(OC)ccc4n3)C2)C1 ZINC001164717523 720251111 /nfs/dbraw/zinc/25/11/11/720251111.db2.gz AGURLYUZNKPSNZ-QHCPKHFHSA-N 0 0 412.534 2.217 20 0 HEADRN CNC(=O)CN1CCOC[C@]2(CCCN(c3nc(SC)nc4ccccc43)C2)C1 ZINC001164720191 720258781 /nfs/dbraw/zinc/25/87/81/720258781.db2.gz SEZQNHMLVOKKRD-OAQYLSRUSA-N 0 0 415.563 2.017 20 0 HEADRN CNC(=O)CN1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)ccc3C)C2)C1 ZINC001164720531 720264825 /nfs/dbraw/zinc/26/48/25/720264825.db2.gz XVUHYQKOPOUJQI-SFHVURJKSA-N 0 0 416.900 2.253 20 0 HEADRN Nc1cc(Cl)nc(C(F)(F)N2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)c1 ZINC001164819887 720266142 /nfs/dbraw/zinc/26/61/42/720266142.db2.gz SUKCTIYIYGUOOF-LBPRGKRZSA-N 0 0 410.856 2.317 20 0 HEADRN CNC(=O)CN1CCOC[C@@]2(CCCN(c3ncccc3OCc3ccccc3)C2)C1 ZINC001164722002 720282935 /nfs/dbraw/zinc/28/29/35/720282935.db2.gz OFFPPPRUTLSJDR-DEOSSOPVSA-N 0 0 424.545 2.325 20 0 HEADRN CSc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)ncn1 ZINC001164825714 720361155 /nfs/dbraw/zinc/36/11/55/720361155.db2.gz UCIZNZZBIGSNSK-UHFFFAOYSA-N 0 0 418.592 2.277 20 0 HEADRN Cc1nc(CN2CCN(C)C3(CCN(c4ncc(N)cc4Cl)CC3)C2=O)cs1 ZINC001164820728 720369586 /nfs/dbraw/zinc/36/95/86/720369586.db2.gz RNHUHMWPTHGIOB-UHFFFAOYSA-N 0 0 420.970 2.395 20 0 HEADRN CCc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)nn1 ZINC001164819342 720374255 /nfs/dbraw/zinc/37/42/55/720374255.db2.gz DGNFGBFXUXAKOY-UHFFFAOYSA-N 0 0 400.552 2.117 20 0 HEADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)COc3cncc(Cl)n3)C[C@@H]21 ZINC001164828142 720423160 /nfs/dbraw/zinc/42/31/60/720423160.db2.gz WMSDYNAHUFHAJY-HZSPNIEDSA-N 0 0 418.872 2.211 20 0 HEADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)COc3cncc(Cl)n3)C[C@@H]21 ZINC001164828144 720423584 /nfs/dbraw/zinc/42/35/84/720423584.db2.gz WMSDYNAHUFHAJY-MGPQQGTHSA-N 0 0 418.872 2.211 20 0 HEADRN COc1cc(C(F)(F)N2C[C@@H]3COC[C@H](CC(=O)NC(C)C)[C@@H]3C2)nc(Cl)n1 ZINC001164827690 720425761 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COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(N)=O)n1 ZINC000772141869 1079725070 /nfs/dbraw/zinc/72/50/70/1079725070.db2.gz IZTVTCWFGQOYRF-INIZCTEOSA-N 0 0 400.435 2.394 20 0 HEADRN C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000772142274 1079725598 /nfs/dbraw/zinc/72/55/98/1079725598.db2.gz LZEZLLFZSJQNBL-KKSFZXQISA-N 0 0 403.482 2.303 20 0 HEADRN CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000772178187 1079727440 /nfs/dbraw/zinc/72/74/40/1079727440.db2.gz NKZRCXYHYLDDGD-IAGOWNOFSA-N 0 0 405.520 2.025 20 0 HEADRN CCC1(O)CCC(NC(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)CC1 ZINC000772179666 1079727722 /nfs/dbraw/zinc/72/77/22/1079727722.db2.gz YRHAISHACBWGTQ-UHFFFAOYSA-N 0 0 402.495 2.414 20 0 HEADRN COc1cc(OC)cc(N2C[C@H](C(=O)OCC(=O)c3c(C)noc3C)CC2=O)c1 ZINC000772182760 1079728789 /nfs/dbraw/zinc/72/87/89/1079728789.db2.gz UWZXOMYUCPOURQ-CYBMUJFWSA-N 0 0 402.403 2.088 20 0 HEADRN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc([C@H]4CNC(=O)C4)c3)C2=O)cc1 ZINC000772182223 1079728982 /nfs/dbraw/zinc/72/89/82/1079728982.db2.gz SYINYLGGXHZQEQ-MWTRTKDXSA-N 0 0 420.469 2.004 20 0 HEADRN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)C1 ZINC000772181272 1079728989 /nfs/dbraw/zinc/72/89/89/1079728989.db2.gz JXCSIYKTWLHCJZ-OXJNMPFZSA-N 0 0 420.469 2.427 20 0 HEADRN Cc1oc(C(=O)OC[C@@H]2CN(c3ccccc3)C(=O)O2)cc1S(=O)(=O)N(C)C ZINC000772182194 1079729078 /nfs/dbraw/zinc/72/90/78/1079729078.db2.gz HDIUTIDIWYBICO-AWEZNQCLSA-N 0 0 408.432 2.021 20 0 HEADRN CNC(=O)COc1cccc(CC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000772184954 1079729469 /nfs/dbraw/zinc/72/94/69/1079729469.db2.gz QJZDFEFOWJMRPP-NVXWUHKLSA-N 0 0 419.522 2.258 20 0 HEADRN Cc1cc(C)n(-c2ccc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)cc2)n1 ZINC000767195260 1079731042 /nfs/dbraw/zinc/73/10/42/1079731042.db2.gz XEBQRHCSURCANO-UHFFFAOYSA-N 0 0 402.495 2.448 20 0 HEADRN CC(C)(C)OC(=O)NCCN(CCO)C(=O)Cc1cc(F)ccc1Br ZINC000767196473 1079731219 /nfs/dbraw/zinc/73/12/19/1079731219.db2.gz 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CS(=O)(=O)Nc1ccc(N2CCN(C(=O)NC[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000767199873 1079733393 /nfs/dbraw/zinc/73/33/93/1079733393.db2.gz QKVLGVMVSGGCOJ-LBPRGKRZSA-N 0 0 421.350 2.084 20 0 HEADRN Cc1nc(CCN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)cs1 ZINC000767199837 1079733447 /nfs/dbraw/zinc/73/34/47/1079733447.db2.gz YJIVISIVOQGDIX-IBGZPJMESA-N 0 0 400.460 2.418 20 0 HEADRN Cn1ccnc1[C@](O)(CCNC(=O)N1CCc2cccc(F)c2C1)C(F)(F)F ZINC000767201414 1079734004 /nfs/dbraw/zinc/73/40/04/1079734004.db2.gz FCJJXOLDVXRCIU-QGZVFWFLSA-N 0 0 400.376 2.467 20 0 HEADRN CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000767203159 1079735084 /nfs/dbraw/zinc/73/50/84/1079735084.db2.gz XLIXJOITSRYFEL-UHFFFAOYSA-N 0 0 405.476 2.259 20 0 HEADRN Cc1ccc(CC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1O ZINC000772158672 1079735451 /nfs/dbraw/zinc/73/54/51/1079735451.db2.gz REPOBRCMQNZBCB-UHFFFAOYSA-N 0 0 417.483 2.454 20 0 HEADRN CCOC(=O)CNC(=O)C1CCN(C(=O)c2c(C)onc2-c2ccc(F)cc2)CC1 ZINC000772165689 1079736478 /nfs/dbraw/zinc/73/64/78/1079736478.db2.gz OCCJKQKZAZWOLS-UHFFFAOYSA-N 0 0 417.437 2.321 20 0 HEADRN Cn1cc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c(-c2ccccc2)n1 ZINC000772166427 1079737192 /nfs/dbraw/zinc/73/71/92/1079737192.db2.gz VHAJGYSAFOZAJK-UHFFFAOYSA-N 0 0 418.409 2.108 20 0 HEADRN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N[C@](C)(C(N)=O)c1ccccc1 ZINC000772170456 1079737976 /nfs/dbraw/zinc/73/79/76/1079737976.db2.gz XCSCPFBIHXCRPF-YWZLYKJASA-N 0 0 407.536 2.246 20 0 HEADRN O=C(Nc1cc(F)c(F)cc1Br)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000772171618 1079738209 /nfs/dbraw/zinc/73/82/09/1079738209.db2.gz ACJJDJQKBXVZDL-UHFFFAOYSA-N 0 0 418.219 2.163 20 0 HEADRN Cc1cccc(CCNC(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 ZINC000767210155 1079739461 /nfs/dbraw/zinc/73/94/61/1079739461.db2.gz VTKOZSSUVXENLM-UHFFFAOYSA-N 0 0 416.547 2.441 20 0 HEADRN CNS(=O)(=O)c1cc(C(=O)NOCc2ccc(C(F)(F)F)cc2)ccc1OC ZINC000746529639 1079739965 /nfs/dbraw/zinc/73/99/65/1079739965.db2.gz XQFYEKSLALSHMN-UHFFFAOYSA-N 0 0 418.393 2.484 20 0 HEADRN C[C@]1(CNC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CCO[C@H]1C1CC1 ZINC000767212497 1079740514 /nfs/dbraw/zinc/74/05/14/1079740514.db2.gz KCJRYXCCFUEWER-BWAGFHJFSA-N 0 0 402.491 2.393 20 0 HEADRN Cc1ncc(CCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)s1 ZINC000772213613 1079743035 /nfs/dbraw/zinc/74/30/35/1079743035.db2.gz IIUDJILJPPBKHA-UHFFFAOYSA-N 0 0 422.576 2.275 20 0 HEADRN CCCc1cc(NC(=O)C(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n(C)n1 ZINC000772218722 1079744284 /nfs/dbraw/zinc/74/42/84/1079744284.db2.gz KWZIKOABYRMEOS-AWEZNQCLSA-N 0 0 407.515 2.027 20 0 HEADRN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(C3CC3)cc2)CC1 ZINC000772218685 1079744597 /nfs/dbraw/zinc/74/45/97/1079744597.db2.gz SGUBZWKFYYJQRL-INIZCTEOSA-N 0 0 412.534 2.094 20 0 HEADRN Cc1c(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)cnn1-c1ccccc1F ZINC000772222011 1079746154 /nfs/dbraw/zinc/74/61/54/1079746154.db2.gz RIKAQLRAMNIQCW-IBGZPJMESA-N 0 0 406.421 2.379 20 0 HEADRN CCc1nc(N)nc(SCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000767222924 1079747678 /nfs/dbraw/zinc/74/76/78/1079747678.db2.gz NJTDCZXNVABAPK-CHWSQXEVSA-N 0 0 402.524 2.361 20 0 HEADRN COCCN(CCNC(=O)NCc1cn2ccc(C)cc2n1)C(=O)OC(C)(C)C ZINC000767221601 1079747838 /nfs/dbraw/zinc/74/78/38/1079747838.db2.gz CYYRTDIXKJPYFU-UHFFFAOYSA-N 0 0 405.499 2.325 20 0 HEADRN COc1ccc(CN2CCCN(C(=O)c3cccnc3-n3cccn3)CC2=O)cc1 ZINC000767223999 1079748079 /nfs/dbraw/zinc/74/80/79/1079748079.db2.gz IXGMJFHNTRQSGJ-UHFFFAOYSA-N 0 0 405.458 2.151 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)C1 ZINC000772224130 1079748512 /nfs/dbraw/zinc/74/85/12/1079748512.db2.gz RZWMWGKPMZOSLH-AWEZNQCLSA-N 0 0 407.515 2.340 20 0 HEADRN O=C(Cn1nc(Cl)sc1=O)c1ccc(Cn2nc(Cl)sc2=O)cc1 ZINC000772225616 1079749151 /nfs/dbraw/zinc/74/91/51/1079749151.db2.gz IKNMARBNGOQBAH-UHFFFAOYSA-N 0 0 403.272 2.161 20 0 HEADRN CCCC[C@@H](COC)NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767224069 1079749313 /nfs/dbraw/zinc/74/93/13/1079749313.db2.gz ZYIURJWLZXKKOK-KRWDZBQOSA-N 0 0 412.556 2.095 20 0 HEADRN COC[C@@H]1CCCCN(C(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)C1 ZINC000767224573 1079749508 /nfs/dbraw/zinc/74/95/08/1079749508.db2.gz OLSGGTKAXQSVLT-ZHRRBRCNSA-N 0 0 417.506 2.046 20 0 HEADRN COCC[C@@H]1CCCCN(C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 ZINC000767225493 1079750159 /nfs/dbraw/zinc/75/01/59/1079750159.db2.gz DNWPOUVCKGSUBX-WMZOPIPTSA-N 0 0 413.559 2.317 20 0 HEADRN COCC[C@H]1CCCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)C1 ZINC000767227778 1079750505 /nfs/dbraw/zinc/75/05/05/1079750505.db2.gz MMONYRRRDSYCKK-VFNWGFHPSA-N 0 0 405.470 2.258 20 0 HEADRN COC(=O)c1cc(S(=O)(=O)NCc2ccncc2)c(Br)cc1F ZINC000767229970 1079751188 /nfs/dbraw/zinc/75/11/88/1079751188.db2.gz JQWMKADMXTVTDM-UHFFFAOYSA-N 0 0 403.229 2.248 20 0 HEADRN COc1ncc(C)cc1NC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 ZINC000746530441 1079752095 /nfs/dbraw/zinc/75/20/95/1079752095.db2.gz JGWUACDIDJSZCK-IEODJVTJSA-N 0 0 408.458 2.140 20 0 HEADRN COC(=O)Nc1cccc(C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)c1 ZINC000772230570 1079752314 /nfs/dbraw/zinc/75/23/14/1079752314.db2.gz DSDBSRWSBCORRI-UHFFFAOYSA-N 0 0 411.505 2.252 20 0 HEADRN CNS(=O)(=O)c1csc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000772191388 1079753659 /nfs/dbraw/zinc/75/36/59/1079753659.db2.gz ALKWIUIWETYPBT-VXGBXAGGSA-N 0 0 417.553 2.174 20 0 HEADRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000772195491 1079755312 /nfs/dbraw/zinc/75/53/12/1079755312.db2.gz PRMKEGDNGBPGRY-ZIAGYGMSSA-N 0 0 400.479 2.451 20 0 HEADRN CCS[C@H](C)c1noc(COC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)n1 ZINC000767235607 1079755424 /nfs/dbraw/zinc/75/54/24/1079755424.db2.gz BGGIJKWDEAKSKU-YGRLFVJLSA-N 0 0 421.454 2.186 20 0 HEADRN O=C(CCS(=O)(=O)NC1CCN(Cc2ccccn2)CC1)OCc1ccccc1 ZINC000767236273 1079756218 /nfs/dbraw/zinc/75/62/18/1079756218.db2.gz GPHPBIFFXCZBFK-UHFFFAOYSA-N 0 0 417.531 2.099 20 0 HEADRN O=C(CCS(=O)(=O)N1CCC[C@@H](OCC(F)(F)F)C1)OCc1ccccc1 ZINC000767236149 1079756865 /nfs/dbraw/zinc/75/68/65/1079756865.db2.gz 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20 0 HEADRN O=C(NC[C@H](O)c1cccc(F)c1)C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 ZINC000768050959 1080314261 /nfs/dbraw/zinc/31/42/61/1080314261.db2.gz YGAGJMXOJOGFSD-IBGZPJMESA-N 0 0 408.433 2.288 20 0 HEADRN COC(=O)[C@H](CCC(=O)NC1C[C@H](C)O[C@@H](C)C1)NC(=O)OCc1ccccc1 ZINC000768051063 1080315008 /nfs/dbraw/zinc/31/50/08/1080315008.db2.gz YYZBLZXZZRNFKM-MPGHIAIKSA-N 0 0 406.479 2.307 20 0 HEADRN COC(=O)[C@H]1CCC[C@H](OC(=O)CS(=O)(=O)c2cccc(Br)c2)C1 ZINC000785954292 1080315692 /nfs/dbraw/zinc/31/56/92/1080315692.db2.gz YBZQNUJKBHGBHE-AAEUAGOBSA-N 0 0 419.293 2.498 20 0 HEADRN CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)[C@]1(O)CCc2ccccc2C1 ZINC000785955050 1080316887 /nfs/dbraw/zinc/31/68/87/1080316887.db2.gz IMQNVCBVAOYCCI-QFIPXVFZSA-N 0 0 417.527 2.237 20 0 HEADRN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)NC[C@H](O)c2cnn(C)c2)c1 ZINC000768083547 1080317420 /nfs/dbraw/zinc/31/74/20/1080317420.db2.gz VOTKCWKPRYBQNN-KRWDZBQOSA-N 0 0 424.505 2.000 20 0 HEADRN C[C@@H](CNC(=O)OC(C)(C)C)OC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000768082531 1080317608 /nfs/dbraw/zinc/31/76/08/1080317608.db2.gz JORGXXANDCYCGA-ZDUSSCGKSA-N 0 0 412.508 2.469 20 0 HEADRN C[C@@H](CCc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl ZINC000785956619 1080318081 /nfs/dbraw/zinc/31/80/81/1080318081.db2.gz UCUXMJABAPBKRI-KBXCAEBGSA-N 0 0 401.894 2.451 20 0 HEADRN Cc1ccc(OC[C@H](C)NC(=O)C(=O)Nc2ccc(F)cc2C(=O)N(C)C)cc1 ZINC000768084317 1080318337 /nfs/dbraw/zinc/31/83/37/1080318337.db2.gz RGLRCQCLLXSCLP-AWEZNQCLSA-N 0 0 401.438 2.358 20 0 HEADRN COc1cccc(/C=C(\C(=O)O[C@@H](C)CNC(=O)OC(C)(C)C)n2nnnc2C)c1 ZINC000768084737 1080318410 /nfs/dbraw/zinc/31/84/10/1080318410.db2.gz PUIGVSXJQSTDMJ-HNEYUBDGSA-N 0 0 417.466 2.445 20 0 HEADRN COc1ccc(C(=O)O[C@@H](C)CNC(=O)OC(C)(C)C)cc1S(=O)(=O)N(C)C ZINC000768085556 1080319437 /nfs/dbraw/zinc/31/94/37/1080319437.db2.gz WXJPBSFLIUXEOM-LBPRGKRZSA-N 0 0 416.496 2.016 20 0 HEADRN O=C(Nc1cccc(F)n1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000768086837 1080319484 /nfs/dbraw/zinc/31/94/84/1080319484.db2.gz QPOFAHQGPBOBBY-UHFFFAOYSA-N 0 0 400.382 2.037 20 0 HEADRN CC(C)CN1N=C(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C3CC3)C2)CCC1=O ZINC000768086856 1080319550 /nfs/dbraw/zinc/31/95/50/1080319550.db2.gz RSUHWAQDUWDNRO-CYBMUJFWSA-N 0 0 404.540 2.242 20 0 HEADRN CCCN(C(=O)[C@H](C)OC(=O)c1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000768087793 1080320840 /nfs/dbraw/zinc/32/08/40/1080320840.db2.gz PAFCAXPQDYUHGD-AAEUAGOBSA-N 0 0 405.875 2.450 20 0 HEADRN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)C1 ZINC000804363454 1080321405 /nfs/dbraw/zinc/32/14/05/1080321405.db2.gz ATRAVSHMMSETAF-LRDDRELGSA-N 0 0 406.307 2.412 20 0 HEADRN Cc1cc(N2CC[C@@H](OC(=O)c3cccc(COC4CCOCC4)c3)C2=O)n(C)n1 ZINC000768088190 1080321992 /nfs/dbraw/zinc/32/19/92/1080321992.db2.gz FZZYKBHQGKAIIO-LJQANCHMSA-N 0 0 413.474 2.386 20 0 HEADRN COc1ccccc1-c1noc([C@@H](C)NC(=O)N(CCS(C)(=O)=O)C(C)C)n1 ZINC000768090008 1080323105 /nfs/dbraw/zinc/32/31/05/1080323105.db2.gz PLWHHSLGMNCEKU-CYBMUJFWSA-N 0 0 410.496 2.271 20 0 HEADRN Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000768090765 1080323152 /nfs/dbraw/zinc/32/31/52/1080323152.db2.gz SMTPPAFYUWVJCI-LJQANCHMSA-N 0 0 402.838 2.390 20 0 HEADRN CC(C)(C)OC(=O)N1CC(NC(=O)N[C@H](CO)c2ccc(Br)cc2)C1 ZINC000768089378 1080323200 /nfs/dbraw/zinc/32/32/00/1080323200.db2.gz FKBYFQXQGUAKNX-CQSZACIVSA-N 0 0 414.300 2.401 20 0 HEADRN CN(c1ccc(C(=O)COC(=O)Cc2cc(F)c(F)cc2F)cc1)S(C)(=O)=O ZINC000768073805 1080326474 /nfs/dbraw/zinc/32/64/74/1080326474.db2.gz AKMOIUIIFAJEGA-UHFFFAOYSA-N 0 0 415.389 2.468 20 0 HEADRN CN(Cc1ccn(-c2ccccc2)n1)C(=O)C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000785970033 1080328323 /nfs/dbraw/zinc/32/83/23/1080328323.db2.gz KCDACEXTFUSJEI-UHFFFAOYSA-N 0 0 414.469 2.333 20 0 HEADRN NC(=O)CS(=O)(=O)c1ccc(C(=O)Oc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000785969901 1080328508 /nfs/dbraw/zinc/32/85/08/1080328508.db2.gz CVOGSKDAGIVTLO-UHFFFAOYSA-N 0 0 405.325 2.323 20 0 HEADRN CC[S@](=O)CCNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1 ZINC000768075094 1080329058 /nfs/dbraw/zinc/32/90/58/1080329058.db2.gz CPXBBWWRIJBDLB-NDEPHWFRSA-N 0 0 404.536 2.302 20 0 HEADRN C[C@@H](CNC(=O)OC(C)(C)C)OC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000768075889 1080329074 /nfs/dbraw/zinc/32/90/74/1080329074.db2.gz HDMOHDHGNDJATA-UONOGXRCSA-N 0 0 420.462 2.267 20 0 HEADRN CC[S@@](=O)CCNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1 ZINC000768075516 1080329115 /nfs/dbraw/zinc/32/91/15/1080329115.db2.gz DSDLWTATUSYZKH-MUUNZHRXSA-N 0 0 408.499 2.132 20 0 HEADRN Cc1cc(NC(=O)C(=O)NCc2nnc(-c3ccccc3)[nH]2)n(-c2ccccc2F)n1 ZINC000768077780 1080330061 /nfs/dbraw/zinc/33/00/61/1080330061.db2.gz LMTBITPZFONYEI-UHFFFAOYSA-N 0 0 419.420 2.360 20 0 HEADRN Cc1ncc(CCNC(=O)C(=O)NCCc2ccc(Br)s2)s1 ZINC000785973688 1080330355 /nfs/dbraw/zinc/33/03/55/1080330355.db2.gz ZRCXUMRWZUNBKT-UHFFFAOYSA-N 0 0 402.339 2.293 20 0 HEADRN O=C(COC(=O)Cc1cc(F)c(F)cc1F)NCc1cccc(C(=O)NC2CC2)c1 ZINC000768077561 1080330511 /nfs/dbraw/zinc/33/05/11/1080330511.db2.gz OYRDDYFETCGBIB-UHFFFAOYSA-N 0 0 420.387 2.398 20 0 HEADRN C[C@H](CNC(=O)OC(C)(C)C)OC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000768079867 1080331576 /nfs/dbraw/zinc/33/15/76/1080331576.db2.gz NKJAUPPXGZKUIX-UKRRQHHQSA-N 0 0 420.462 2.476 20 0 HEADRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 ZINC000768080705 1080333030 /nfs/dbraw/zinc/33/30/30/1080333030.db2.gz ZFKVIMQZCDEEKE-QGZVFWFLSA-N 0 0 421.461 2.033 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)Nc2ccnn2-c2cc(C)ccn2)n1 ZINC000785976366 1080333135 /nfs/dbraw/zinc/33/31/35/1080333135.db2.gz PHZVSWCKCCNPCX-UHFFFAOYSA-N 0 0 417.495 2.159 20 0 HEADRN Cc1cc(NC(=O)C(=O)NC[C@H](O)CC(C)C)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000768118249 1080334140 /nfs/dbraw/zinc/33/41/40/1080334140.db2.gz UPOFDADUYOZUQG-CYBMUJFWSA-N 0 0 413.400 2.056 20 0 HEADRN COC(=O)/C(C)=C\COC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000785978016 1080334238 /nfs/dbraw/zinc/33/42/38/1080334238.db2.gz UXMZVPONPFYHHO-QLBUUCPGSA-N 0 0 404.419 2.117 20 0 HEADRN COCc1ccccc1CNC(=O)COC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000768117995 1080334740 /nfs/dbraw/zinc/33/47/40/1080334740.db2.gz WZTYSTBGJRZXCM-UHFFFAOYSA-N 0 0 400.406 2.330 20 0 HEADRN Cc1cc(C)c(N2C[C@H](C(=O)N3CCCC[C@H](S(C)(=O)=O)C3)CC2=O)c(C)c1 ZINC000768120269 1080335287 /nfs/dbraw/zinc/33/52/87/1080335287.db2.gz BPKKATBJFPYVEP-MSOLQXFVSA-N 0 0 406.548 2.390 20 0 HEADRN COC(=O)[C@@H]1CCC[C@H](OC(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)C1 ZINC000785937051 1080335384 /nfs/dbraw/zinc/33/53/84/1080335384.db2.gz HNEBZUGMOSFJJX-NJAFHUGGSA-N 0 0 402.451 2.049 20 0 HEADRN CCCCCn1cc(CNC(=O)C(=O)Nc2ccc(C(=O)N(C)OC)cc2)c(C)n1 ZINC000768120164 1080335995 /nfs/dbraw/zinc/33/59/95/1080335995.db2.gz BFPQGQHIJCFAII-UHFFFAOYSA-N 0 0 415.494 2.270 20 0 HEADRN C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)[C@H]1CO ZINC000786012560 1080336289 /nfs/dbraw/zinc/33/62/89/1080336289.db2.gz VUMSHUNBDUBMFE-YOEHRIQHSA-N 0 0 405.495 2.221 20 0 HEADRN C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)[C@@H]1CO ZINC000786012559 1080336495 /nfs/dbraw/zinc/33/64/95/1080336495.db2.gz VUMSHUNBDUBMFE-WMLDXEAASA-N 0 0 405.495 2.221 20 0 HEADRN CC[C@]1(C)CN(C(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)CCO1 ZINC000786011951 1080336919 /nfs/dbraw/zinc/33/69/19/1080336919.db2.gz RAAWBCVPZLZDCM-QGZVFWFLSA-N 0 0 413.268 2.186 20 0 HEADRN CC1(C)CN(C(=O)C(=O)NCc2ccc(-n3ccnc3)nc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000786014784 1080336988 /nfs/dbraw/zinc/33/69/88/1080336988.db2.gz OVEVAFSOZYHZLL-QSAZIKIQSA-N 0 0 423.517 2.080 20 0 HEADRN Cc1ccc(COc2cccc(NC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)c2)cc1 ZINC000786022731 1080338963 /nfs/dbraw/zinc/33/89/63/1080338963.db2.gz OQJMWKOOPDAIPH-IAGOWNOFSA-N 0 0 400.475 2.103 20 0 HEADRN CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCCOCC1 ZINC000786020781 1080338976 /nfs/dbraw/zinc/33/89/76/1080338976.db2.gz YHMPRGSJNSLWMT-KRWDZBQOSA-N 0 0 406.479 2.262 20 0 HEADRN CN1CCO[C@@H]([C@H](NC(=O)N2CCCC3(C2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000768103688 1080340027 /nfs/dbraw/zinc/34/00/27/1080340027.db2.gz VNRJIPZYMJOVHO-QZTJIDSGSA-N 0 0 409.914 2.260 20 0 HEADRN CC[C@]1(C)Oc2ccc(NC(=O)C(=O)NC[C@H](O)c3ccccc3OC)cc2O1 ZINC000785981318 1080341691 /nfs/dbraw/zinc/34/16/91/1080341691.db2.gz TWFFGZPGXRKKOH-YCRPNKLZSA-N 0 0 400.431 2.381 20 0 HEADRN CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 ZINC000768106664 1080341977 /nfs/dbraw/zinc/34/19/77/1080341977.db2.gz DGUCYZWYEFEURL-GFCCVEGCSA-N 0 0 420.437 2.057 20 0 HEADRN COC(=O)c1cc(Cl)cc(NC(=O)C(=O)N[C@@H](C[S@](C)=O)c2ccccc2)c1 ZINC000768108421 1080342995 /nfs/dbraw/zinc/34/29/95/1080342995.db2.gz QQCRGYGWEARBLE-OLRZCDJHSA-N 0 0 422.890 2.301 20 0 HEADRN CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCC1CCS(=O)(=O)CC1)c1ccccc1 ZINC000768108171 1080343697 /nfs/dbraw/zinc/34/36/97/1080343697.db2.gz CSSVWMKWCRLTKT-HXUWFJFHSA-N 0 0 410.536 2.368 20 0 HEADRN O=C(COC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)NC1CCCC1 ZINC000785983001 1080344065 /nfs/dbraw/zinc/34/40/65/1080344065.db2.gz VPJANKHGUBYRFP-INIZCTEOSA-N 0 0 417.462 2.056 20 0 HEADRN C[C@H]1Oc2ccc(C(=O)COC(=O)c3cc4c(cc3F)NC(=O)CC4)cc2NC1=O ZINC000768109751 1080344249 /nfs/dbraw/zinc/34/42/49/1080344249.db2.gz QZYSBVYQYLKCMP-SNVBAGLBSA-N 0 0 412.373 2.470 20 0 HEADRN Cc1cccc([C@H](O)CNC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c1 ZINC000768109594 1080344317 /nfs/dbraw/zinc/34/43/17/1080344317.db2.gz VPIDKSAEURHFCP-HXUWFJFHSA-N 0 0 404.470 2.458 20 0 HEADRN COc1ccc2c(c1)OC[C@H](NC(=O)NC[C@H](O)c1cc(OC)ccc1OC)C2 ZINC000768110650 1080344766 /nfs/dbraw/zinc/34/47/66/1080344766.db2.gz FFXIAJSGOHNHRL-KDOFPFPSSA-N 0 0 402.447 2.049 20 0 HEADRN COc1ccc2c(c1)OC[C@H](NC(=O)N1Cc3c(OC)ccc(OC)c3[C@H](O)C1)C2 ZINC000768110600 1080344869 /nfs/dbraw/zinc/34/48/69/1080344869.db2.gz DIUXSJMLXOWNLA-RHSMWYFYSA-N 0 0 414.458 2.275 20 0 HEADRN O=C(OC[C@H]1CC2(CC2)C(=O)O1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000785982834 1080345200 /nfs/dbraw/zinc/34/52/00/1080345200.db2.gz 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COc1ccc2c(c1)OC[C@H](NC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1)C2 ZINC000768111429 1080346763 /nfs/dbraw/zinc/34/67/63/1080346763.db2.gz GPSHCWRMFMWRKA-NUJGCVRESA-N 0 0 402.447 2.126 20 0 HEADRN CN(CCOc1ccc(Cl)cc1)C(=O)C(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000785986482 1080347113 /nfs/dbraw/zinc/34/71/13/1080347113.db2.gz DIHMNQWHQCMCEN-UHFFFAOYSA-N 0 0 413.865 2.074 20 0 HEADRN O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)C(=O)Nc1ccnn1-c1ccccc1 ZINC000768113731 1080347981 /nfs/dbraw/zinc/34/79/81/1080347981.db2.gz RYTKHZADQUBEMC-INIZCTEOSA-N 0 0 402.813 2.453 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)Nc2cnn(-c3ncccn3)c2)C1 ZINC000768142788 1080348966 /nfs/dbraw/zinc/34/89/66/1080348966.db2.gz MFWIUIIQDDIXRD-HNNXBMFYSA-N 0 0 402.455 2.017 20 0 HEADRN O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)OCCOc1cccc(Cl)n1 ZINC000768143508 1080350799 /nfs/dbraw/zinc/35/07/99/1080350799.db2.gz BABWFPBRYRTUKJ-UHFFFAOYSA-N 0 0 420.821 2.304 20 0 HEADRN O=C(COC(=O)c1c[nH]nc1-c1c(F)cccc1F)Nc1nnc([C@H]2CCCO2)o1 ZINC000768144874 1080351526 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HEADRN C[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C[C@@H]1O ZINC000768809735 1080787219 /nfs/dbraw/zinc/78/72/19/1080787219.db2.gz BOYWHZZBMCUVLU-BBRMVZONSA-N 0 0 400.928 2.358 20 0 HEADRN CC[C@H]1CN(c2ccccc2)CCN1C(=O)C(=O)NCCCNC(=O)OC(C)(C)C ZINC000786738565 1080787377 /nfs/dbraw/zinc/78/73/77/1080787377.db2.gz RRZCSMMCWFGUNE-KRWDZBQOSA-N 0 0 418.538 2.145 20 0 HEADRN CCS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000746599716 1080787845 /nfs/dbraw/zinc/78/78/45/1080787845.db2.gz BOZBZYKJHKMHBW-LBPRGKRZSA-N 0 0 405.428 2.393 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@@H]2CCc3c2cccc3OC)n1 ZINC000786740117 1080788186 /nfs/dbraw/zinc/78/81/86/1080788186.db2.gz PFJKLIJRVUOCBH-MRXNPFEDSA-N 0 0 406.508 2.444 20 0 HEADRN CC(=O)[C@H](Cc1c(F)cccc1F)OC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000768774255 1080790591 /nfs/dbraw/zinc/79/05/91/1080790591.db2.gz GPMDORJDAHTTLE-LAUBAEHRSA-N 0 0 416.380 2.377 20 0 HEADRN CCNC(=O)c1cccc(OC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)c1 ZINC000768775544 1080791116 /nfs/dbraw/zinc/79/11/16/1080791116.db2.gz NGNNGVGLRLTFRS-OAQYLSRUSA-N 0 0 401.463 2.233 20 0 HEADRN O=C([O-])c1ccccc1OCC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000768775875 1080792063 /nfs/dbraw/zinc/79/20/63/1080792063.db2.gz IXZGNBXQYLTQCN-UHFFFAOYSA-N 0 0 410.517 2.268 20 0 HEADRN CC(C)(C)OC(=O)NCCCNC(=O)C(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000786747559 1080792815 /nfs/dbraw/zinc/79/28/15/1080792815.db2.gz QJWCBOHRUJCGJZ-GOSISDBHSA-N 0 0 403.523 2.499 20 0 HEADRN CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC001170063788 1080793687 /nfs/dbraw/zinc/79/36/87/1080793687.db2.gz DDAXYVLEQKCJRC-INIZCTEOSA-N 0 0 410.877 2.025 20 0 HEADRN CN(CCCNC(=O)OC(C)(C)C)C(=O)C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000786751156 1080794109 /nfs/dbraw/zinc/79/41/09/1080794109.db2.gz AFDAXULQPHTGKK-UHFFFAOYSA-N 0 0 420.485 2.339 20 0 HEADRN COCCc1cccc(OC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 ZINC000786752806 1080794806 /nfs/dbraw/zinc/79/48/06/1080794806.db2.gz 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CC(C)(C)OC(=O)NCCCNC(=O)C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000786755187 1080796163 /nfs/dbraw/zinc/79/61/63/1080796163.db2.gz VMCHCYKZPDVLGH-UHFFFAOYSA-N 0 0 415.494 2.018 20 0 HEADRN O=C(NCCc1c[nH]c2cc(F)ccc12)C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000786754681 1080796523 /nfs/dbraw/zinc/79/65/23/1080796523.db2.gz SCLRYAXHQSKXRM-UHFFFAOYSA-N 0 0 405.433 2.468 20 0 HEADRN COc1ccc([C@H](C)NC(=O)C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000786757496 1080797327 /nfs/dbraw/zinc/79/73/27/1080797327.db2.gz BVCWGPRMMLRUDE-OXJNMPFZSA-N 0 0 409.486 2.132 20 0 HEADRN CS(=O)(=O)c1ccc(F)c(NC(=O)Cn2ccnc2[C@H](O)c2ccc(F)cc2)c1 ZINC000786757259 1080797621 /nfs/dbraw/zinc/79/76/21/1080797621.db2.gz MVMHQJLDFKAONX-GOSISDBHSA-N 0 0 421.425 2.285 20 0 HEADRN CC(C)(C)OC(=O)NCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000786720442 1080798125 /nfs/dbraw/zinc/79/81/25/1080798125.db2.gz YGWOINQWDOTMAO-GFCCVEGCSA-N 0 0 407.433 2.208 20 0 HEADRN CC1(C)[C@@H]2OCC[C@@H]2[C@@H]1OC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 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CC(=O)[C@@H](Cc1ccc(F)cc1F)OC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 ZINC000768855779 1080807677 /nfs/dbraw/zinc/80/76/77/1080807677.db2.gz PMRYDHRPTHZEQZ-GOSISDBHSA-N 0 0 401.369 2.206 20 0 HEADRN COc1cccc([C@@H](C)NC(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)c1 ZINC000786765308 1080807606 /nfs/dbraw/zinc/80/76/06/1080807606.db2.gz BMKBSLWWTYAXMK-CQSZACIVSA-N 0 0 405.495 2.436 20 0 HEADRN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCc1ncnn1C ZINC000768815370 1080809207 /nfs/dbraw/zinc/80/92/07/1080809207.db2.gz RZATUESRLGVLPP-UHFFFAOYSA-N 0 0 420.425 2.367 20 0 HEADRN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)OCc3ncnn3C)c2)cc1 ZINC000768815064 1080809257 /nfs/dbraw/zinc/80/92/57/1080809257.db2.gz NIRUMXVTGIMZRM-UHFFFAOYSA-N 0 0 416.459 2.372 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)OCc1nnnn1CC1CCOCC1 ZINC000768816404 1080809902 /nfs/dbraw/zinc/80/99/02/1080809902.db2.gz BVZRBFHLTMEFAC-INIZCTEOSA-N 0 0 423.514 2.323 20 0 HEADRN CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3cccc(F)c3)on2)cn1 ZINC000786767904 1080810194 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BADAXZWADSTUIS-OKZBNKHCSA-N 0 0 419.522 2.047 20 0 HEADRN COc1cccc([C@H](C)NC(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000786770899 1080812822 /nfs/dbraw/zinc/81/28/22/1080812822.db2.gz TVNFFBXBSRKCTF-AWEZNQCLSA-N 0 0 405.495 2.388 20 0 HEADRN COc1ccc([C@@H](C)COC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000768825130 1080813166 /nfs/dbraw/zinc/81/31/66/1080813166.db2.gz IUDMCSHXRWMZJO-KRWDZBQOSA-N 0 0 412.490 2.261 20 0 HEADRN COc1ncc(Br)cc1COC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000768824780 1080813795 /nfs/dbraw/zinc/81/37/95/1080813795.db2.gz HYVVMJALTPGCTF-UWVGGRQHSA-N 0 0 411.174 2.353 20 0 HEADRN COc1ccc(C2N=NC(=S)N2CC(=O)N2CCCC[C@H]2c2ncon2)cc1 ZINC000746606860 1080814455 /nfs/dbraw/zinc/81/44/55/1080814455.db2.gz IPQDUMVSNNZUCH-AWEZNQCLSA-N 0 0 400.464 2.379 20 0 HEADRN COc1ccc(C2N=NC(=S)N2CC(=O)N2CCOC[C@@H]2C(F)(F)F)cc1 ZINC000746607198 1080814518 /nfs/dbraw/zinc/81/45/18/1080814518.db2.gz NTZWYUIIHPGXBO-GFCCVEGCSA-N 0 0 402.398 2.032 20 0 HEADRN O=C(OCc1nnnn1CC1CCOCC1)c1sc(N2CCCC2)nc1Cl ZINC000768831608 1080814929 /nfs/dbraw/zinc/81/49/29/1080814929.db2.gz JBGPEANBQRYQNU-UHFFFAOYSA-N 0 0 412.903 2.167 20 0 HEADRN NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCSc1ccccc1 ZINC000786773960 1080815002 /nfs/dbraw/zinc/81/50/02/1080815002.db2.gz VQAVAOJSTISMKK-MRXNPFEDSA-N 0 0 405.907 2.222 20 0 HEADRN CC(C)(C)OC(=O)NCc1nc(C(=O)OCCCc2nc3ncccn3n2)cs1 ZINC000768830964 1080815341 /nfs/dbraw/zinc/81/53/41/1080815341.db2.gz ONRZDYUKNAVOIS-UHFFFAOYSA-N 0 0 418.479 2.395 20 0 HEADRN CCOC(=O)N1CCN(C(=O)CNc2cc(Cl)ccc2O[C@@H](C)COC)CC1 ZINC000786774974 1080816179 /nfs/dbraw/zinc/81/61/79/1080816179.db2.gz GHPDGUMWCNFPDR-AWEZNQCLSA-N 0 0 413.902 2.466 20 0 HEADRN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Br)nc1 ZINC000746609400 1080816492 /nfs/dbraw/zinc/81/64/92/1080816492.db2.gz ZLBGQJJNRBFGDL-HNNXBMFYSA-N 0 0 401.264 2.413 20 0 HEADRN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)OCc3ncnn3C)ccc2Cl)C1 ZINC000768832772 1080816652 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/nfs/dbraw/zinc/54/60/72/1076546072.db2.gz XIBDRJQIHWEQLI-UHFFFAOYSA-N 0 0 415.534 2.483 20 0 HEADRN C=CC(=O)Nc1ccc(C(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000741588438 1076546999 /nfs/dbraw/zinc/54/69/99/1076546999.db2.gz HHVKYXFZAPJNEX-MRXNPFEDSA-N 0 0 414.487 2.497 20 0 HEADRN CC(C)COC(=O)N1CCC(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000741593836 1076549196 /nfs/dbraw/zinc/54/91/96/1076549196.db2.gz XTIMMGJLXHIAHQ-SJORKVTESA-N 0 0 402.557 2.305 20 0 HEADRN C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 ZINC000741576252 1076550226 /nfs/dbraw/zinc/55/02/26/1076550226.db2.gz GDSBGCLUHOSVSH-HOYKHHGWSA-N 0 0 407.514 2.485 20 0 HEADRN CCOC(=O)N1CCC[C@H](C(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)C1 ZINC000741577146 1076550833 /nfs/dbraw/zinc/55/08/33/1076550833.db2.gz JKKDRUJQBZCPGW-MOPGFXCFSA-N 0 0 402.539 2.182 20 0 HEADRN COC(=O)C[C@@H]1CN(C(=O)c2nc3ncc(Br)cn3n2)c2ccccc21 ZINC000741579182 1076551799 /nfs/dbraw/zinc/55/17/99/1076551799.db2.gz 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CS(=O)(=O)CCOCCNC(=O)C1(c2ccc(Br)cc2)CCCC1 ZINC000741618149 1076556822 /nfs/dbraw/zinc/55/68/22/1076556822.db2.gz COTITTOEAYNUNR-UHFFFAOYSA-N 0 0 418.353 2.438 20 0 HEADRN Cc1ccc(N2CC[C@H](NC(=O)C3=NN(Cc4ccccc4)C(=O)CC3)C2=O)cc1 ZINC000741617500 1076557041 /nfs/dbraw/zinc/55/70/41/1076557041.db2.gz AGUBVEGUHIJMPR-FQEVSTJZSA-N 0 0 404.470 2.395 20 0 HEADRN COCCN(CC(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O)C(=O)OC(C)(C)C ZINC000741619130 1076557349 /nfs/dbraw/zinc/55/73/49/1076557349.db2.gz IMSWXYOCRUUKEI-QGZVFWFLSA-N 0 0 405.495 2.100 20 0 HEADRN Cc1cc(Br)ccc1SCC(=O)NCCOCCS(C)(=O)=O ZINC000741619240 1076557432 /nfs/dbraw/zinc/55/74/32/1076557432.db2.gz MBLHITSSTUSWLZ-UHFFFAOYSA-N 0 0 410.355 2.027 20 0 HEADRN CS(=O)(=O)CCOCCNC(=O)c1ccccc1SCc1cscn1 ZINC000741618898 1076557668 /nfs/dbraw/zinc/55/76/68/1076557668.db2.gz NGGRVSYEVQECQM-UHFFFAOYSA-N 0 0 400.547 2.226 20 0 HEADRN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCCOCCS(C)(=O)=O)c12 ZINC000741619891 1076558463 /nfs/dbraw/zinc/55/84/63/1076558463.db2.gz QXJHNDLZTAQXMG-UHFFFAOYSA-N 0 0 421.450 2.128 20 0 HEADRN Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3CSCN3C(=O)C3CCCC3)C2=O)cc1 ZINC000741621478 1076559419 /nfs/dbraw/zinc/55/94/19/1076559419.db2.gz KINAOJXLFAZZPN-QZTJIDSGSA-N 0 0 401.532 2.308 20 0 HEADRN Cc1ccc(N2CC[C@H](NC(=O)CCN3c4ccccc4O[C@H](C)C3=O)C2=O)cc1 ZINC000741622306 1076559515 /nfs/dbraw/zinc/55/95/15/1076559515.db2.gz OTHDDVFAVUWFPL-AEFFLSMTSA-N 0 0 407.470 2.421 20 0 HEADRN Cc1ccc(N2CC[C@H](NC(=O)CS(=O)(=O)CCCc3ccccc3)C2=O)cc1 ZINC000741622913 1076560520 /nfs/dbraw/zinc/56/05/20/1076560520.db2.gz QAAWQLZKTDPXJM-FQEVSTJZSA-N 0 0 414.527 2.264 20 0 HEADRN CNC(=O)c1cncc(/C=C\C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1 ZINC000741601444 1076561038 /nfs/dbraw/zinc/56/10/38/1076561038.db2.gz AQHKDSJZLHWWHJ-XZVRFQMRSA-N 0 0 412.877 2.420 20 0 HEADRN O=C(Nc1cccc(N2CCOC2=O)c1)C(=O)NC1CC(OCc2ccccc2)C1 ZINC000766272904 1076561165 /nfs/dbraw/zinc/56/11/65/1076561165.db2.gz CHWQMADXKKAPLT-UHFFFAOYSA-N 0 0 409.442 2.446 20 0 HEADRN CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)C1(C)C ZINC000766272801 1076561862 /nfs/dbraw/zinc/56/18/62/1076561862.db2.gz WDLANZSYFYKFAA-SJORKVTESA-N 0 0 403.479 2.286 20 0 HEADRN Cc1cc(NC(=O)C(=O)N[C@H]2C[C@@H](OC(C)C)C2(C)C)ccc1N1CCOCC1 ZINC000766272833 1076562276 /nfs/dbraw/zinc/56/22/76/1076562276.db2.gz XCOHBVUANVDRFL-RBUKOAKNSA-N 0 0 403.523 2.478 20 0 HEADRN CCN(CC)S(=O)(=O)c1cc(C(=O)NCCCOC2CCOCC2)ccc1F ZINC000741604201 1076562714 /nfs/dbraw/zinc/56/27/14/1076562714.db2.gz ULJOWZFJFHPGRI-UHFFFAOYSA-N 0 0 416.515 2.172 20 0 HEADRN CN(C)C(=O)Nc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c1 ZINC000741608391 1076564016 /nfs/dbraw/zinc/56/40/16/1076564016.db2.gz JCGSJAYVBDGAQS-UHFFFAOYSA-N 0 0 420.491 2.088 20 0 HEADRN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2coc(-c3ccccc3)n2)C1=O ZINC000741606580 1076564222 /nfs/dbraw/zinc/56/42/22/1076564222.db2.gz AMGFTTWKBDEWKN-JOCHJYFZSA-N 0 0 404.426 2.425 20 0 HEADRN Cc1nnnn1/C(=C\c1ccccc1)C(=O)NCc1cccc(NC(=O)N(C)C)c1 ZINC000741610952 1076565352 /nfs/dbraw/zinc/56/53/52/1076565352.db2.gz QSCCLCIOZUUYAE-UYRXBGFRSA-N 0 0 405.462 2.390 20 0 HEADRN CC(C)(C)n1cc(-n2c(Cl)cncc2=NS(=O)(=O)c2ccc(N)cc2)cn1 ZINC001212574435 1076565835 /nfs/dbraw/zinc/56/58/35/1076565835.db2.gz FSMGLOCJCRRRMR-UHFFFAOYSA-N 0 0 406.899 2.349 20 0 HEADRN COc1ccc(C)cc1N1C[C@@H](C(=O)Oc2ccc(O[C@H](C)C(N)=O)cc2)CC1=O ZINC000741637991 1076566544 /nfs/dbraw/zinc/56/65/44/1076566544.db2.gz KFQYSPNDVBGKJP-CABCVRRESA-N 0 0 412.442 2.215 20 0 HEADRN CC1=C(C(=O)N(C)Cc2ccccc2Cl)[C@H](c2cn(C)nn2)NC(=S)N1C ZINC000741646332 1076568585 /nfs/dbraw/zinc/56/85/85/1076568585.db2.gz AKGFWTXBHGWAQU-INIZCTEOSA-N 0 0 404.927 2.262 20 0 HEADRN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cn(C)nn2)NC(=O)N1C[C@@H]1CCCO1 ZINC000741646916 1076569178 /nfs/dbraw/zinc/56/91/78/1076569178.db2.gz IWGJZGGTWBQFRL-QFBILLFUSA-N 0 0 411.462 2.078 20 0 HEADRN COc1ccc([C@@H](CC(=O)Oc2ccc(O[C@@H](C)C(N)=O)cc2)NC(C)=O)cc1 ZINC000741628775 1076571643 /nfs/dbraw/zinc/57/16/43/1076571643.db2.gz 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CN(C)C(=O)C[C@H]1CN(S(=O)(=O)c2ncn(C)c2Cl)c2ccc(Cl)cc21 ZINC000741650847 1076576097 /nfs/dbraw/zinc/57/60/97/1076576097.db2.gz BEHDWTAKDOGKCQ-JTQLQIEISA-N 0 0 417.318 2.498 20 0 HEADRN CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)ccc1Cl ZINC000741651727 1076576843 /nfs/dbraw/zinc/57/68/43/1076576843.db2.gz JMYMIXXWKJYYSA-MAZHCROVSA-N 0 0 416.927 2.455 20 0 HEADRN COC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(CCNC(C)=O)cc2)c2ccccc21 ZINC000741655745 1076578769 /nfs/dbraw/zinc/57/87/69/1076578769.db2.gz KNJWWIPCWOHSAX-QGZVFWFLSA-N 0 0 416.499 2.221 20 0 HEADRN Cn1cc(-c2cccc(C(=O)N3CCN([C@H](C(N)=O)c4ccccc4)CC3)c2)cn1 ZINC000741666326 1076581283 /nfs/dbraw/zinc/58/12/83/1076581283.db2.gz WUDSUDWSBBOKBE-NRFANRHFSA-N 0 0 403.486 2.072 20 0 HEADRN CC(C)c1nn(C)c(Cl)c1C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000741666267 1076581355 /nfs/dbraw/zinc/58/13/55/1076581355.db2.gz VLGIMRRMIPODMT-QGZVFWFLSA-N 0 0 403.914 2.181 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCc2ccccc2C1 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DXBDKEFFTVWBQE-CQSZACIVSA-N 0 0 409.962 2.402 20 0 HEADRN Cc1cc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc(C)c1OCC(=O)N1CCCCC1 ZINC000741691256 1076588154 /nfs/dbraw/zinc/58/81/54/1076588154.db2.gz QNPMNCMHVDXCFR-GOSISDBHSA-N 0 0 422.547 2.002 20 0 HEADRN CC(C)c1ccc(N2CC[C@H](C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)C2=O)cc1 ZINC000741691794 1076588553 /nfs/dbraw/zinc/58/85/53/1076588553.db2.gz VBIBSVDGAUZEGY-CVEARBPZSA-N 0 0 411.424 2.442 20 0 HEADRN O=C(CNC(=O)OCc1ccccc1)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000741715537 1076590053 /nfs/dbraw/zinc/59/00/53/1076590053.db2.gz XNKCKGDTTWJVRS-UHFFFAOYSA-N 0 0 405.458 2.138 20 0 HEADRN COC(=O)[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)CC(C)C ZINC000741715216 1076590300 /nfs/dbraw/zinc/59/03/00/1076590300.db2.gz VFGUMJQFHRCKML-GFCCVEGCSA-N 0 0 404.916 2.155 20 0 HEADRN COC[C@H]1CN(C(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)CCO1 ZINC000741715211 1076590306 /nfs/dbraw/zinc/59/03/06/1076590306.db2.gz KAOKBGWZTJRIRD-YAJBTMAUSA-N 0 0 411.487 2.274 20 0 HEADRN 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Cn1cc(S(=O)(=O)NCCOC(=O)CCOc2ccc(Cl)c(Cl)c2)cn1 ZINC000744701106 1077548680 /nfs/dbraw/zinc/54/86/80/1077548680.db2.gz CGXHFYDYBBHOQU-UHFFFAOYSA-N 0 0 422.290 2.018 20 0 HEADRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)O[C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)cc1 ZINC000744705086 1077550132 /nfs/dbraw/zinc/55/01/32/1077550132.db2.gz IARIGABOINMHAK-AZUAARDMSA-N 0 0 424.501 2.320 20 0 HEADRN Cc1nnnn1/C(=C/c1ccccc1)C(=O)N(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744677991 1077551055 /nfs/dbraw/zinc/55/10/55/1077551055.db2.gz OSSMIZJMNSRYJE-CLEQQJOVSA-N 0 0 412.494 2.447 20 0 HEADRN Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744677992 1077551105 /nfs/dbraw/zinc/55/11/05/1077551105.db2.gz OSSMIZJMNSRYJE-GFWHJHDHSA-N 0 0 412.494 2.447 20 0 HEADRN CCCCCCc1ccc(C(=O)COC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 ZINC000744677823 1077551526 /nfs/dbraw/zinc/55/15/26/1077551526.db2.gz PLPOYVCUUILQBP-UHFFFAOYSA-N 0 0 410.536 2.451 20 0 HEADRN Cc1ccc(N2CCC[C@H](OC(=O)c3ccc(S(=O)(=O)N(C)C)o3)C2=O)cc1 ZINC000744715866 1077551904 /nfs/dbraw/zinc/55/19/04/1077551904.db2.gz NBWQMEHISSNMFP-HNNXBMFYSA-N 0 0 406.460 2.191 20 0 HEADRN COC(=O)c1cc2cc(COC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)ccc2o1 ZINC000744717168 1077552359 /nfs/dbraw/zinc/55/23/59/1077552359.db2.gz MMYKDAJPJXWTGH-UHFFFAOYSA-N 0 0 408.366 2.378 20 0 HEADRN C[C@@H](OC(=O)c1sccc1-n1cnnn1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000744716874 1077552810 /nfs/dbraw/zinc/55/28/10/1077552810.db2.gz TWAUWFLLEBWMCB-MRVPVSSYSA-N 0 0 423.357 2.229 20 0 HEADRN C[C@@H](OC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000744716742 1077553351 /nfs/dbraw/zinc/55/33/51/1077553351.db2.gz ROKUORWYAQNEPF-OAHLLOKOSA-N 0 0 408.410 2.154 20 0 HEADRN CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)c2ccc(N(C)C)c(F)c2)CC1 ZINC000744720855 1077555559 /nfs/dbraw/zinc/55/55/59/1077555559.db2.gz XTQPTRDTQBXZFT-UHFFFAOYSA-N 0 0 407.486 2.154 20 0 HEADRN C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)C(=O)NCCc1ccccc1 ZINC000744721607 1077556131 /nfs/dbraw/zinc/55/61/31/1077556131.db2.gz SWKMCCFGPZZTRP-APWZRJJASA-N 0 0 410.470 2.287 20 0 HEADRN CC[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1nc(C(F)(F)F)cs1 ZINC000744723632 1077556635 /nfs/dbraw/zinc/55/66/35/1077556635.db2.gz YLUDJOUTQCLKNB-JTQLQIEISA-N 0 0 420.438 2.227 20 0 HEADRN Cn1ccc(N2CCC[C@@H](OC(=O)c3ccc(CN4CCCCC4=O)cc3)C2=O)n1 ZINC000744724698 1077557001 /nfs/dbraw/zinc/55/70/01/1077557001.db2.gz GTQOYHZQXJTFOM-GOSISDBHSA-N 0 0 410.474 2.285 20 0 HEADRN COC(=O)c1ccc(OCCOC(=O)C2CCN(C(=O)N(C)C)CC2)c(Cl)c1 ZINC000744725083 1077557094 /nfs/dbraw/zinc/55/70/94/1077557094.db2.gz ICDNJWCUZATWIY-UHFFFAOYSA-N 0 0 412.870 2.442 20 0 HEADRN C[C@H]1CN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)C[C@H](C(F)(F)F)O1 ZINC000744730647 1077559270 /nfs/dbraw/zinc/55/92/70/1077559270.db2.gz DQYPCJSHOIRAJZ-XHDPSFHLSA-N 0 0 401.360 2.482 20 0 HEADRN CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)O[C@@H](C)C(=O)NCC(F)(F)F ZINC000744709082 1077562462 /nfs/dbraw/zinc/56/24/62/1077562462.db2.gz ILGKEAOBAHVUOQ-GXTWGEPZSA-N 0 0 416.396 2.300 20 0 HEADRN COC(=O)[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)c1ccccc1F ZINC000744710167 1077563053 /nfs/dbraw/zinc/56/30/53/1077563053.db2.gz YPGRQSFGHBDYCP-YGRLFVJLSA-N 0 0 401.437 2.012 20 0 HEADRN CCN(CC1CCN(C(=O)CCC(=O)N2CCOCC2)CC1)C(=O)OC(C)(C)C ZINC000744712312 1077563478 /nfs/dbraw/zinc/56/34/78/1077563478.db2.gz HFFUZJHXEOPLDZ-UHFFFAOYSA-N 0 0 411.543 2.121 20 0 HEADRN CCOC(=O)N[C@H](C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)C(C)C ZINC000744712674 1077564345 /nfs/dbraw/zinc/56/43/45/1077564345.db2.gz QBNIDENHLBCBBM-LBTNJELSSA-N 0 0 422.478 2.337 20 0 HEADRN CCCOC(=O)[C@@H](C)OC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000744745387 1077565765 /nfs/dbraw/zinc/56/57/65/1077565765.db2.gz VLYZKXGVZFQSLB-LLVKDONJSA-N 0 0 414.252 2.450 20 0 HEADRN CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(CC3CC3)c3ccccc32)c1=O ZINC000744748215 1077566623 /nfs/dbraw/zinc/56/66/23/1077566623.db2.gz BYHNTFMUFCDGEB-UHFFFAOYSA-N 0 0 418.497 2.446 20 0 HEADRN NC(=O)[C@H](OC(=O)CCOC[C@H]1CCCO1)c1ccc(Br)cc1F ZINC000744747871 1077566988 /nfs/dbraw/zinc/56/69/88/1077566988.db2.gz HKXYEAPZDUCWSQ-IAQYHMDHSA-N 0 0 404.232 2.244 20 0 HEADRN CN(C)CC(=O)Nc1ccc(NC(=O)CCC(=O)N2CCOc3ccccc32)cc1 ZINC000744754097 1077568812 /nfs/dbraw/zinc/56/88/12/1077568812.db2.gz NZEBOURTYAKJAT-UHFFFAOYSA-N 0 0 410.474 2.331 20 0 HEADRN C[C@H](OC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000744755841 1077569803 /nfs/dbraw/zinc/56/98/03/1077569803.db2.gz NESQYROZJSIPMN-WDSOQIARSA-N 0 0 418.490 2.405 20 0 HEADRN C[C@H](OC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000744755840 1077569992 /nfs/dbraw/zinc/56/99/92/1077569992.db2.gz NESQYROZJSIPMN-UHOSZYNNSA-N 0 0 418.490 2.405 20 0 HEADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)OCCCS(N)(=O)=O ZINC000744758343 1077570237 /nfs/dbraw/zinc/57/02/37/1077570237.db2.gz HORCUNPQSSAXCR-UHFFFAOYSA-N 0 0 400.453 2.283 20 0 HEADRN COC(=O)CNC(=O)[C@@H](C)OC(=O)/C(=C\c1ccc(O)c(OC)c1)c1ccccc1 ZINC000744759031 1077571112 /nfs/dbraw/zinc/57/11/12/1077571112.db2.gz LAAFPOOKMMJBRH-RQNDZEIBSA-N 0 0 413.426 2.162 20 0 HEADRN Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)cc(C)c1F ZINC000744736650 1077573276 /nfs/dbraw/zinc/57/32/76/1077573276.db2.gz OOQPCYYUZKDJHK-CQSZACIVSA-N 0 0 423.462 2.141 20 0 HEADRN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)O[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000744736833 1077573432 /nfs/dbraw/zinc/57/34/32/1077573432.db2.gz KNBQQLIPFFRDMM-GFCCVEGCSA-N 0 0 417.443 2.276 20 0 HEADRN Cc1ccc(-c2nc(CNC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)co2)cc1 ZINC000744740274 1077574471 /nfs/dbraw/zinc/57/44/71/1077574471.db2.gz HTAWITPYIWASFI-LJQANCHMSA-N 0 0 403.442 2.386 20 0 HEADRN NC(=O)[C@@H](OC(=O)CN1CCCCCCC1=O)c1ccc(Br)cc1F ZINC000744789327 1077575978 /nfs/dbraw/zinc/57/59/78/1077575978.db2.gz CVIGCSUPVVZENJ-INIZCTEOSA-N 0 0 415.259 2.451 20 0 HEADRN CCC[C@@H](C)C(=O)O[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000744768475 1077576674 /nfs/dbraw/zinc/57/66/74/1077576674.db2.gz DVBRALVVNQHONL-IAGOWNOFSA-N 0 0 410.536 2.196 20 0 HEADRN CCC[C@H](C)C(=O)O[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000744768473 1077576755 /nfs/dbraw/zinc/57/67/55/1077576755.db2.gz DVBRALVVNQHONL-DLBZAZTESA-N 0 0 410.536 2.196 20 0 HEADRN O=C(NCc1ccccc1OCCN1CCOCC1)Nc1ccc(-n2nccn2)cc1 ZINC000744774187 1077578653 /nfs/dbraw/zinc/57/86/53/1077578653.db2.gz YPUDTNKSIDFBQI-UHFFFAOYSA-N 0 0 422.489 2.300 20 0 HEADRN COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(N(C)C(C)=O)c2)c1 ZINC000744774910 1077579092 /nfs/dbraw/zinc/57/90/92/1077579092.db2.gz ZRFPVMJELACIPM-UHFFFAOYSA-N 0 0 419.503 2.155 20 0 HEADRN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000744775017 1077579391 /nfs/dbraw/zinc/57/93/91/1077579391.db2.gz RAMNKAXRTSNPNA-SJLPKXTDSA-N 0 0 410.536 2.169 20 0 HEADRN Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000744775035 1077579423 /nfs/dbraw/zinc/57/94/23/1077579423.db2.gz REWDVYXJBXBPJU-DOMZBBRYSA-N 0 0 402.900 2.333 20 0 HEADRN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000744775015 1077579503 /nfs/dbraw/zinc/57/95/03/1077579503.db2.gz RAMNKAXRTSNPNA-AEFFLSMTSA-N 0 0 410.536 2.169 20 0 HEADRN O=C(NC[C@H](O)c1ccccc1F)C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000065390271 1077579924 /nfs/dbraw/zinc/57/99/24/1077579924.db2.gz DTEGTCHAJLIKRO-IBGZPJMESA-N 0 0 413.449 2.127 20 0 HEADRN C[C@H](OC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)Nc1ncc(Cl)cc1Cl ZINC000744775867 1077580122 /nfs/dbraw/zinc/58/01/22/1077580122.db2.gz YICWLEMCFDVVJF-CABZTGNLSA-N 0 0 424.306 2.073 20 0 HEADRN CSc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000744776027 1077580189 /nfs/dbraw/zinc/58/01/89/1077580189.db2.gz ZXDRTEJABVOQOS-DOMZBBRYSA-N 0 0 400.522 2.093 20 0 HEADRN C[C@H](OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC1CCCC1 ZINC000744778975 1077580882 /nfs/dbraw/zinc/58/08/82/1077580882.db2.gz LXQJBEYZSXHRIS-ZFWWWQNUSA-N 0 0 414.549 2.282 20 0 HEADRN CC(C)c1c(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cnc2ncnn21 ZINC000744780612 1077581277 /nfs/dbraw/zinc/58/12/77/1077581277.db2.gz JFZJUTZDJVHYTC-GFCCVEGCSA-N 0 0 411.418 2.203 20 0 HEADRN CC(C)c1c(C(=O)O[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)cnc2ncnn21 ZINC000744780927 1077582226 /nfs/dbraw/zinc/58/22/26/1077582226.db2.gz JYNIHPGRPDAQKY-CJNGLKHVSA-N 0 0 409.446 2.433 20 0 HEADRN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)COC(=O)c1n[nH]c2c1CCC2 ZINC000744786989 1077583687 /nfs/dbraw/zinc/58/36/87/1077583687.db2.gz MUDRZHGKWAASLI-UHFFFAOYSA-N 0 0 423.429 2.056 20 0 HEADRN CCCNC(=O)[C@@H](C)OC(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F ZINC000744811526 1077584626 /nfs/dbraw/zinc/58/46/26/1077584626.db2.gz HZYISIFOPCYZJP-MRVPVSSYSA-N 0 0 405.764 2.406 20 0 HEADRN COc1ccc(CNC(=O)[C@H](C)OC(=O)c2c[nH]nc2-c2ccncc2)cc1OC ZINC000744812597 1077584929 /nfs/dbraw/zinc/58/49/29/1077584929.db2.gz BLHYMOCWXWCRKD-ZDUSSCGKSA-N 0 0 410.430 2.351 20 0 HEADRN C[C@H](OC(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F)C(=O)NC1CC1 ZINC000744813410 1077585303 /nfs/dbraw/zinc/58/53/03/1077585303.db2.gz WPNUMFXMBILBTR-ZETCQYMHSA-N 0 0 403.748 2.158 20 0 HEADRN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000744815676 1077587243 /nfs/dbraw/zinc/58/72/43/1077587243.db2.gz IUUBEXRGQFAZHN-WMZOPIPTSA-N 0 0 410.536 2.171 20 0 HEADRN CCC(=O)N1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000744816255 1077587558 /nfs/dbraw/zinc/58/75/58/1077587558.db2.gz GLQYJNYTBUJFKW-ZMSDIMECSA-N 0 0 418.490 2.358 20 0 HEADRN Cc1cc(NC(=O)COC(=O)c2cnn3c2[nH]c(=O)c2ccccc23)n(C(C)(C)C)n1 ZINC000744815951 1077587625 /nfs/dbraw/zinc/58/76/25/1077587625.db2.gz MNIQDJHHXAKYCW-UHFFFAOYSA-N 0 0 422.445 2.231 20 0 HEADRN CCC(=O)N1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000744816470 1077587724 /nfs/dbraw/zinc/58/77/24/1077587724.db2.gz GRLIYZFKHQYWRK-YESZJQIVSA-N 0 0 418.490 2.008 20 0 HEADRN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000744816667 1077588014 /nfs/dbraw/zinc/58/80/14/1077588014.db2.gz LUEHCWGQMLXWMC-YJBOKZPZSA-N 0 0 408.520 2.102 20 0 HEADRN 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CS(=O)(=O)N1C[C@H]2CCCN(C(F)(F)c3cnc(Cl)nc3Cl)[C@@H]2C1 ZINC001164949300 721982069 /nfs/dbraw/zinc/98/20/69/721982069.db2.gz OLFHZGSDYZEQOI-PSASIEDQSA-N 0 0 401.266 2.189 20 0 HEADRN Cc1ccc(Cl)nc1C(F)(F)N1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001164953406 721988896 /nfs/dbraw/zinc/98/88/96/721988896.db2.gz SEGNVIPDWHLPKM-OLZOCXBDSA-N 0 0 408.902 2.153 20 0 HEADRN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3COC[C@]3(COC)C2)cnc1Cl ZINC001164950823 721997435 /nfs/dbraw/zinc/99/74/35/721997435.db2.gz KIKPALNKVWZUAP-IUODEOHRSA-N 0 0 410.870 2.173 20 0 HEADRN O=C1COC2(CCN([C@H](F)Oc3ccc(Cl)nn3)CC2)CN1Cc1cccnc1 ZINC001164954565 722003078 /nfs/dbraw/zinc/00/30/78/722003078.db2.gz YKRYCPKBKSROTI-SFHVURJKSA-N 0 0 421.860 2.051 20 0 HEADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(c3ccnc(N4CCN(C)CC4)n3)C[C@H]21 ZINC001164951716 722005231 /nfs/dbraw/zinc/00/52/31/722005231.db2.gz IRNRPWFFPKLDFO-OALUTQOASA-N 0 0 415.545 2.405 20 0 HEADRN CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(C(F)(F)c3cc(N)cc(Cl)n3)C2)C1 ZINC001164955341 722009395 /nfs/dbraw/zinc/00/93/95/722009395.db2.gz UVYMDCHQUXYQPW-BLLLJJGKSA-N 0 0 403.861 2.261 20 0 HEADRN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001164961529 722035374 /nfs/dbraw/zinc/03/53/74/722035374.db2.gz WDYJOFGVJGTTEJ-SUMWQHHRSA-N 0 0 409.824 2.483 20 0 HEADRN O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001164961526 722035529 /nfs/dbraw/zinc/03/55/29/722035529.db2.gz WDYJOFGVJGTTEJ-DYVFJYSZSA-N 0 0 409.824 2.483 20 0 HEADRN Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2ccc(F)c(Cl)n2)[C@H]2COC[C@H]21 ZINC001164956297 722036220 /nfs/dbraw/zinc/03/62/20/722036220.db2.gz DKKFTQWIWIBBKB-SUHUHFCYSA-N 0 0 414.815 2.391 20 0 HEADRN Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(F)c2)[C@H]2COC[C@@H]21 ZINC001164959381 722036666 /nfs/dbraw/zinc/03/66/66/722036666.db2.gz GVEPDHMJSGZLCH-KYOSRNDESA-N 0 0 414.815 2.391 20 0 HEADRN Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2F)[C@@H]2COC[C@H]12 ZINC001164961007 722036738 /nfs/dbraw/zinc/03/67/38/722036738.db2.gz LDPKHUAJDBMEMJ-WDBKCZKBSA-N 0 0 414.815 2.391 20 0 HEADRN COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2O[C@@H](Cc3nc(C)no3)C[C@H]2C1 ZINC001164957300 722042662 /nfs/dbraw/zinc/04/26/62/722042662.db2.gz BBGKCGCECKDDIY-UMNHJUIQSA-N 0 0 401.801 2.211 20 0 HEADRN CC(=O)N1[C@@H]2CCN(C(F)(F)c3ccc(Cl)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164969621 722080229 /nfs/dbraw/zinc/08/02/29/722080229.db2.gz LQVMABBHOGIOPE-SOUVJXGZSA-N 0 0 410.856 2.387 20 0 HEADRN CC(=O)N1[C@@H]2CCN(C(F)(F)c3cncc(Cl)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164969545 722080871 /nfs/dbraw/zinc/08/08/71/722080871.db2.gz LHHDYTLVHHMZNW-QLFBSQMISA-N 0 0 410.856 2.387 20 0 HEADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCO[C@@]2(CCCN(C(C)=O)C2)C1 ZINC001164970374 722083475 /nfs/dbraw/zinc/08/34/75/722083475.db2.gz XFYOSFKGAOGTLN-QGZVFWFLSA-N 0 0 417.840 2.284 20 0 HEADRN CC(C)C(=O)N1CCN(C(F)(F)c2nccc(Cl)n2)C[C@@]2(CCCC(=O)N2)C1 ZINC001164973504 722087964 /nfs/dbraw/zinc/08/79/64/722087964.db2.gz ODWAPNCQQYWIJJ-QGZVFWFLSA-N 0 0 415.872 2.018 20 0 HEADRN Cn1cc(N2C[C@H]3CN(C(F)(F)c4nc(Cl)cc(Cl)n4)C[C@@H]3C2=O)cn1 ZINC001164984963 722094319 /nfs/dbraw/zinc/09/43/19/722094319.db2.gz YGWQOBOOCTXSSI-SCZZXKLOSA-N 0 0 403.220 2.161 20 0 HEADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ccc(CN4CCOCC4)cn3)C[C@H]21 ZINC001164983909 722096916 /nfs/dbraw/zinc/09/69/16/722096916.db2.gz UJMZLFHSVCOCFY-MQSCRBSSSA-N 0 0 421.545 2.460 20 0 HEADRN COCc1nc(OC)cc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)n1 ZINC001164993341 722186496 /nfs/dbraw/zinc/18/64/96/722186496.db2.gz YZFHMLSAFKKDSK-SJORKVTESA-N 0 0 419.551 2.266 20 0 HEADRN CC(C)C(=O)NCc1nnc2n1CCCN(C(F)(F)Oc1cccnc1Cl)C2 ZINC001164989341 722189962 /nfs/dbraw/zinc/18/99/62/722189962.db2.gz MGARXUSTFMAYCS-UHFFFAOYSA-N 0 0 414.844 2.434 20 0 HEADRN CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)[C@H]2C1 ZINC001164998458 722216145 /nfs/dbraw/zinc/21/61/45/722216145.db2.gz VQAZGIGXPLZLFK-DCAQKATOSA-N 0 0 414.844 2.011 20 0 HEADRN CCOc1cc(Cl)nc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)c1 ZINC001164996839 722232514 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Cc1cc(N2CCCC2)nc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)n1 ZINC001165003499 722259371 /nfs/dbraw/zinc/25/93/71/722259371.db2.gz GWGQFTRTKZBRQC-HSZRJFAPSA-N 0 0 424.524 2.452 20 0 HEADRN COC(=O)c1ccc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1C ZINC001165006127 722263689 /nfs/dbraw/zinc/26/36/89/722263689.db2.gz GUUXKFGWZBPLHH-JOCHJYFZSA-N 0 0 412.465 2.243 20 0 HEADRN CCN(CC)c1cc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)ncn1 ZINC001165007767 722266240 /nfs/dbraw/zinc/26/62/40/722266240.db2.gz UFGAMPRLUGDWFA-JOCHJYFZSA-N 0 0 412.513 2.389 20 0 HEADRN Cc1cn(-c2ccc(N3CC[C@@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)nn2)cn1 ZINC001165005376 722266415 /nfs/dbraw/zinc/26/64/15/722266415.db2.gz BJMHIZLOGYLECN-JOCHJYFZSA-N 0 0 421.480 2.037 20 0 HEADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN([C@H](F)Oc1ccc(Cl)nn1)C2 ZINC001165008007 722270599 /nfs/dbraw/zinc/27/05/99/722270599.db2.gz ZUOOQNJPGIVZMS-OALUTQOASA-N 0 0 423.851 2.324 20 0 HEADRN CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C(=O)[O-])C3CCCCC3)cn2)CC1 ZINC000780431312 939120352 /nfs/dbraw/zinc/12/03/52/939120352.db2.gz HAMJMRXHODCYGS-IBGZPJMESA-N 0 0 403.527 2.056 20 0 HEADRN O=C([O-])[C@@]1(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CCC[N@H+](Cc2ccccc2)C1 ZINC001263627271 939827714 /nfs/dbraw/zinc/82/77/14/939827714.db2.gz GFOVNAJJRYJSEY-NTKDMRAZSA-N 0 0 421.497 2.275 20 0 HEADRN O=C([O-])[C@]1(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CCC[N@H+](Cc2ccccc2)C1 ZINC001263627269 939827995 /nfs/dbraw/zinc/82/79/95/939827995.db2.gz GFOVNAJJRYJSEY-CYFREDJKSA-N 0 0 421.497 2.275 20 0 HEADRN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1nccn2c(Br)cnc12 ZINC000769621775 1078475920 /nfs/dbraw/zinc/47/59/20/1078475920.db2.gz QOMDNHGMSFHYNQ-NSHDSACASA-N 0 0 400.236 2.348 20 0 HEADRN COC(=O)[C@H](NC(=O)c1ccc(-n2c(C)c[nH]c2=O)cc1)c1ccc2c(c1)CCO2 ZINC000769623915 1078477246 /nfs/dbraw/zinc/47/72/46/1078477246.db2.gz CUIPTEFGNBGILD-LJQANCHMSA-N 0 0 407.426 2.465 20 0 HEADRN COC(=O)[C@H](NC(=O)CCc1c(C)[nH]c2nn(C)c(=O)c-2c1C)c1ccc(C)c(C)c1 ZINC000769623911 1078477375 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Cc1noc(C)c1S(=O)(=O)N1CCN(Cn2nc(Cl)c3ccccc32)CC1 ZINC000769647846 1078483995 /nfs/dbraw/zinc/48/39/95/1078483995.db2.gz RKWLQVVZXMKHJY-UHFFFAOYSA-N 0 0 409.899 2.259 20 0 HEADRN CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)C(C)(C)C(N)=O)sc2c1CC[C@@H](C)C2 ZINC000769686405 1078481279 /nfs/dbraw/zinc/48/12/79/1078481279.db2.gz FAEUXXHUYJSDFP-GHMZBOCLSA-N 0 0 424.519 2.431 20 0 HEADRN C[C@@H]1CN(C(=O)COC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)C[C@H](C)O1 ZINC000745441317 1078481685 /nfs/dbraw/zinc/48/16/85/1078481685.db2.gz ATKBVZJLRPZYSB-TXEJJXNPSA-N 0 0 409.389 2.471 20 0 HEADRN Cc1ncc2c(n1)CC[C@H](NC(=O)N1CCc3c(cccc3N3CCOC3=O)C1)C2 ZINC000745440300 1078481710 /nfs/dbraw/zinc/48/17/10/1078481710.db2.gz ZHBMGJHQUPVQMR-KRWDZBQOSA-N 0 0 407.474 2.367 20 0 HEADRN Clc1nn(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c2ccccc12 ZINC000769648238 1078483312 /nfs/dbraw/zinc/48/33/12/1078483312.db2.gz WKQUOWXQSCLGLN-UHFFFAOYSA-N 0 0 413.913 2.096 20 0 HEADRN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCC(=O)c2ccc(Cl)cn2)C1=O ZINC000769648951 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JLQQFAIGRGGKMO-UHFFFAOYSA-N 0 0 410.261 2.264 20 0 HEADRN COc1c(C)cnc(CNC(=O)C(=O)Nc2ccnn2CCc2ccccc2)c1C ZINC000746383644 1078889224 /nfs/dbraw/zinc/88/92/24/1078889224.db2.gz AGEMBDVEAVFJAD-UHFFFAOYSA-N 0 0 407.474 2.401 20 0 HEADRN Cc1ccc(Cn2nccc2NC(=O)C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)o1 ZINC000746401980 1078899135 /nfs/dbraw/zinc/89/91/35/1078899135.db2.gz DPJQIOOQJWDXNN-CYBMUJFWSA-N 0 0 419.482 2.143 20 0 HEADRN CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)cn1 ZINC000770540174 1078889788 /nfs/dbraw/zinc/88/97/88/1078889788.db2.gz JSGLNGQHWQVHEP-ZDUSSCGKSA-N 0 0 400.501 2.331 20 0 HEADRN O=C(CN1CCCOCC1)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000746386389 1078890135 /nfs/dbraw/zinc/89/01/35/1078890135.db2.gz PFLSKJIBRQPCAY-VBKFSLOCSA-N 0 0 423.922 2.215 20 0 HEADRN CCOC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)C1 ZINC000770541559 1078890627 /nfs/dbraw/zinc/89/06/27/1078890627.db2.gz ZYUQIYVTXJTGOU-CHWSQXEVSA-N 0 0 403.405 2.479 20 0 HEADRN C[C@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)[C@H](C)N1CCOCC1 ZINC000770544595 1078891642 /nfs/dbraw/zinc/89/16/42/1078891642.db2.gz JEPHSFXBJCELSA-XYJFISCASA-N 0 0 412.575 2.478 20 0 HEADRN O=C(NN1CCc2ccccc2C1=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000770550217 1078892503 /nfs/dbraw/zinc/89/25/03/1078892503.db2.gz NXLMMVSIYPBYRV-UHFFFAOYSA-N 0 0 413.499 2.205 20 0 HEADRN Cc1nn(C)c(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C ZINC000746391302 1078892777 /nfs/dbraw/zinc/89/27/77/1078892777.db2.gz RRYUSTHXDJRFRO-LSDHHAIUSA-N 0 0 407.515 2.127 20 0 HEADRN Cc1nnc(-c2cccc(NC(=O)C(=O)NC[C@@]3(O)CCCc4ccccc43)c2)n1C ZINC000746394543 1078894014 /nfs/dbraw/zinc/89/40/14/1078894014.db2.gz QGDLRWNFJZNRQO-QHCPKHFHSA-N 0 0 419.485 2.069 20 0 HEADRN COC(=O)C[C@H](NC(=O)C(=O)Nc1ccnn1CC1CC1)c1ccc(SC)cc1 ZINC000746396028 1078894490 /nfs/dbraw/zinc/89/44/90/1078894490.db2.gz QJPFFOUACRFFKN-INIZCTEOSA-N 0 0 416.503 2.374 20 0 HEADRN Cc1nn(C)c(NC(=O)C(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C ZINC000746395322 1078894499 /nfs/dbraw/zinc/89/44/99/1078894499.db2.gz TUIBHZQJJGNMEE-OAHLLOKOSA-N 0 0 407.515 2.129 20 0 HEADRN Cc1ccc(Cn2nccc2NC(=O)C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)o1 ZINC000746395723 1078895378 /nfs/dbraw/zinc/89/53/78/1078895378.db2.gz NBDLCODZSGGHON-AWEZNQCLSA-N 0 0 421.457 2.168 20 0 HEADRN CC(C)(CNS(=O)(=O)c1cc2ccc(Cl)nc2cc1F)N1CCOCC1 ZINC000746401489 1078899787 /nfs/dbraw/zinc/89/97/87/1078899787.db2.gz UHSWTWJAZHWVHC-UHFFFAOYSA-N 0 0 401.891 2.416 20 0 HEADRN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000804266729 1078895724 /nfs/dbraw/zinc/89/57/24/1078895724.db2.gz RKZAQDJNECETQK-DOTOQJQBSA-N 0 0 419.522 2.297 20 0 HEADRN COc1cccc2c1CC[C@H]2NC(=O)C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000804266727 1078895759 /nfs/dbraw/zinc/89/57/59/1078895759.db2.gz RKNCLYODZPUZIH-WMLDXEAASA-N 0 0 417.506 2.314 20 0 HEADRN COc1cc(C(=O)NCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000104953747 1078896133 /nfs/dbraw/zinc/89/61/33/1078896133.db2.gz GJPYYYJAEJKRQW-GFCCVEGCSA-N 0 0 412.446 2.196 20 0 HEADRN Cc1ccc([C@H](O)CNC(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1 ZINC000770581747 1078896414 /nfs/dbraw/zinc/89/64/14/1078896414.db2.gz FGOFQFYAJRIPGE-LJQANCHMSA-N 0 0 421.494 2.207 20 0 HEADRN CCCCOC(=O)COC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000770584764 1078897493 /nfs/dbraw/zinc/89/74/93/1078897493.db2.gz NKYCUGJXAHGFAI-SFHVURJKSA-N 0 0 414.817 2.133 20 0 HEADRN COc1ccc(COC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)nc1 ZINC000770586206 1078897544 /nfs/dbraw/zinc/89/75/44/1078897544.db2.gz RXQACJXRHMFMTG-IBGZPJMESA-N 0 0 421.812 2.393 20 0 HEADRN CCN(CC)C(=O)CN1CCN(C(=O)c2cnc(SC)n2-c2ccccc2)CC1 ZINC000105235973 1078897611 /nfs/dbraw/zinc/89/76/11/1078897611.db2.gz GHCWTDVHBVJLMM-UHFFFAOYSA-N 0 0 415.563 2.220 20 0 HEADRN CCc1nnc([C@H](C)OC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)o1 ZINC000770584534 1078897618 /nfs/dbraw/zinc/89/76/18/1078897618.db2.gz UADOAKKZIZAPQA-NIVTXAMTSA-N 0 0 424.816 2.496 20 0 HEADRN C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)OCc2nnc(C3CC3)o2)C1=O ZINC000770585762 1078897897 /nfs/dbraw/zinc/89/78/97/1078897897.db2.gz RAKMHTOWXRXUSW-GOSISDBHSA-N 0 0 422.800 2.250 20 0 HEADRN Cc1ccncc1[C@H](C)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000770589399 1078898684 /nfs/dbraw/zinc/89/86/84/1078898684.db2.gz MGWCYARAKHOLPS-HNNXBMFYSA-N 0 0 420.560 2.459 20 0 HEADRN COCCOc1cccc(CNC(=O)C(=O)Nc2ccc(Br)nc2)c1 ZINC000766350828 1078901646 /nfs/dbraw/zinc/90/16/46/1078901646.db2.gz QBBOQHALZBNAEM-UHFFFAOYSA-N 0 0 408.252 2.124 20 0 HEADRN CC(=O)N1CCC[C@@H](C(=O)OCC[C@H](C)CCOC(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC000770599539 1078902574 /nfs/dbraw/zinc/90/25/74/1078902574.db2.gz XXNXOBDQRXQTFW-PDFPEKILSA-N 0 0 424.538 2.006 20 0 HEADRN Cc1cccc(N2CCN(C(=O)COC(=O)c3cccc([S@](C)=O)c3)CC2)c1 ZINC000770602080 1078903101 /nfs/dbraw/zinc/90/31/01/1078903101.db2.gz FWIWOBPBGWODGU-NDEPHWFRSA-N 0 0 400.500 2.238 20 0 HEADRN CN(C)c1ncc(CNc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)s1 ZINC000770561832 1078904234 /nfs/dbraw/zinc/90/42/34/1078904234.db2.gz SRRNEJRIYZQRKT-UHFFFAOYSA-N 0 0 402.568 2.031 20 0 HEADRN CC(C)CCn1nccc1NC(=O)C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000746406592 1078904380 /nfs/dbraw/zinc/90/43/80/1078904380.db2.gz LBAQLOMXVUNDOD-UHFFFAOYSA-N 0 0 418.929 2.261 20 0 HEADRN O=C(OCc1noc(-c2ccc(F)cc2)n1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000746408550 1078905416 /nfs/dbraw/zinc/90/54/16/1078905416.db2.gz GVCWNLUHWYGJIS-UHFFFAOYSA-N 0 0 423.408 2.273 20 0 HEADRN CCN(CCNC(=O)C(=O)Nc1ccnn1Cc1ccc(C)o1)C(=O)OC(C)(C)C ZINC000746410570 1078906215 /nfs/dbraw/zinc/90/62/15/1078906215.db2.gz BEYGHVWBHMMYJE-UHFFFAOYSA-N 0 0 419.482 2.145 20 0 HEADRN COc1ccc(-n2nc(C(=O)NCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2C)cc1 ZINC000770635558 1078907033 /nfs/dbraw/zinc/90/70/33/1078907033.db2.gz RZPAYMAGWYPANG-UHFFFAOYSA-N 0 0 420.429 2.140 20 0 HEADRN COc1ccc(C(=O)OCc2nnc(C)[nH]2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC000770641391 1078909365 /nfs/dbraw/zinc/90/93/65/1078909365.db2.gz ZRXOIFPBWZJRTF-WFASDCNBSA-N 0 0 422.507 2.336 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCC(c2cccnc2)CC1 ZINC000804268077 1078910141 /nfs/dbraw/zinc/91/01/41/1078910141.db2.gz ZIFRPHHCKZIJTJ-GOSISDBHSA-N 0 0 416.522 2.303 20 0 HEADRN CS[C@H](CNC(=O)C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)C(C)(C)C ZINC000804266614 1078912407 /nfs/dbraw/zinc/91/24/07/1078912407.db2.gz QWCUTWCLPSUOAX-ZIAGYGMSSA-N 0 0 401.573 2.396 20 0 HEADRN Cc1cccc2c1CN(C(=O)C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C)CC2 ZINC000804266382 1078912874 /nfs/dbraw/zinc/91/28/74/1078912874.db2.gz BNFMKVOKMRONJU-KRWDZBQOSA-N 0 0 401.507 2.395 20 0 HEADRN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C1=NN(CC(C)C)C(=O)CC1 ZINC000766356272 1078912906 /nfs/dbraw/zinc/91/29/06/1078912906.db2.gz KQWGBEAGCOAKKH-UHFFFAOYSA-N 0 0 422.507 2.166 20 0 HEADRN CCOc1ccc([C@H]2CCCN2C(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1 ZINC000766356442 1078912915 /nfs/dbraw/zinc/91/29/15/1078912915.db2.gz ABAFGBLZCDKQPF-QGZVFWFLSA-N 0 0 405.495 2.390 20 0 HEADRN C[C@H](OC(=O)c1cccc([S@@](C)=O)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000770605855 1078913596 /nfs/dbraw/zinc/91/35/96/1078913596.db2.gz OUKHUSOIIAPRHE-PEGYKEAPSA-N 0 0 418.490 2.457 20 0 HEADRN CC(=O)N1CCc2sc(C(=O)COC(=O)c3cccc([S@](C)=O)c3)cc2C1 ZINC000770607373 1078914281 /nfs/dbraw/zinc/91/42/81/1078914281.db2.gz SBQDWVHPYLZUOW-MHZLTWQESA-N 0 0 405.497 2.430 20 0 HEADRN CC(C)OCCN1CCN(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000746418839 1078914869 /nfs/dbraw/zinc/91/48/69/1078914869.db2.gz XXKPEUKOWCOGOW-GOSISDBHSA-N 0 0 412.575 2.386 20 0 HEADRN C[S@@](=O)c1cccc(C(=O)OCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000770608829 1078915112 /nfs/dbraw/zinc/91/51/12/1078915112.db2.gz YELGKMAZDMBWJK-DEXQXJORSA-N 0 0 400.500 2.224 20 0 HEADRN C[C@H](OC(=O)C1(CCOCc2ccccc2)CC1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000770609220 1078915172 /nfs/dbraw/zinc/91/51/72/1078915172.db2.gz FNNGOWSDDMOLIM-WMZOPIPTSA-N 0 0 402.491 2.029 20 0 HEADRN COc1ccccc1Nc1nc(N)nc(COC(=O)c2cccc([S@](C)=O)c2)n1 ZINC000770610332 1078915182 /nfs/dbraw/zinc/91/51/82/1078915182.db2.gz WCJYZWJTIYJYRS-LJAQVGFWSA-N 0 0 413.459 2.300 20 0 HEADRN Cc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)CC2 ZINC000745801143 1078924192 /nfs/dbraw/zinc/92/41/92/1078924192.db2.gz UDDNCNGGTUTIJY-DLBZAZTESA-N 0 0 414.510 2.467 20 0 HEADRN C[C@@H](C(=O)OCC(=O)N(CCC#N)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000145040911 1078915776 /nfs/dbraw/zinc/91/57/76/1078915776.db2.gz XRDPCUSMNKRIFU-HNNXBMFYSA-N 0 0 418.446 2.478 20 0 HEADRN CCn1c2nnc(COC(=O)c3cccc([S@@](C)=O)c3)n2c2ccccc2c1=O ZINC000770610766 1078916002 /nfs/dbraw/zinc/91/60/02/1078916002.db2.gz XMRROALMQRPNCY-GDLZYMKVSA-N 0 0 410.455 2.159 20 0 HEADRN O=C(NC[C@@H](O)c1c(F)cccc1Cl)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000746419452 1078916242 /nfs/dbraw/zinc/91/62/42/1078916242.db2.gz IZQIZGDGUJDGHO-SNVBAGLBSA-N 0 0 408.739 2.026 20 0 HEADRN CN(C)[C@@H](CNS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)c1ccccc1 ZINC000770645128 1078916412 /nfs/dbraw/zinc/91/64/12/1078916412.db2.gz PRGIEATUSLSIRG-LBPRGKRZSA-N 0 0 422.981 2.386 20 0 HEADRN Cc1cn(-c2ccccc2)nc1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 ZINC000770612358 1078916475 /nfs/dbraw/zinc/91/64/75/1078916475.db2.gz OUAIUYCNVONTBQ-UHFFFAOYSA-N 0 0 401.444 2.064 20 0 HEADRN CCOc1cccc(CNC(=O)COC(=O)C(C)(C)N2C(=O)c3ccccc3C2=O)c1 ZINC000770645159 1078917195 /nfs/dbraw/zinc/91/71/95/1078917195.db2.gz NIUFRSIYZTUJSX-UHFFFAOYSA-N 0 0 424.453 2.320 20 0 HEADRN O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)NC[C@H](O)c1ccc(F)cc1 ZINC000065465013 1078918674 /nfs/dbraw/zinc/91/86/74/1078918674.db2.gz MCYDUHXBWYDMTK-INIZCTEOSA-N 0 0 400.859 2.286 20 0 HEADRN CNS(=O)(=O)c1csc(C(=O)OCCNc2ccc(C(F)(F)F)cn2)c1 ZINC000770619988 1078918880 /nfs/dbraw/zinc/91/88/80/1078918880.db2.gz LGBKNOGPJSRRHZ-UHFFFAOYSA-N 0 0 409.411 2.339 20 0 HEADRN O=C(NCCNC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1)NC1CCCCC1 ZINC000770622634 1078920111 /nfs/dbraw/zinc/92/01/11/1078920111.db2.gz SKGYLSMOUUYXHG-GOSISDBHSA-N 0 0 416.522 2.393 20 0 HEADRN 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C[C@@](O)(CNC(=O)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1)c1cccs1 ZINC000740523248 1076203703 /nfs/dbraw/zinc/20/37/03/1076203703.db2.gz PYKXRIFTKAWOAA-OXQOHEQNSA-N 0 0 404.488 2.268 20 0 HEADRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)NC[C@@](C)(O)c1cccs1 ZINC000740523789 1076204760 /nfs/dbraw/zinc/20/47/60/1076204760.db2.gz SBYJXVOOCLBEEB-OAQYLSRUSA-N 0 0 417.531 2.405 20 0 HEADRN C[C@H](c1cccc(NC(=O)C(=O)NC[C@@](C)(O)c2cccs2)c1)N1CCOCC1 ZINC000740524415 1076205584 /nfs/dbraw/zinc/20/55/84/1076205584.db2.gz ZKXHPXJPDYYSRL-QVKFZJNVSA-N 0 0 417.531 2.104 20 0 HEADRN CN(C)S(=O)(=O)c1cccc(NC(=S)NCCCOCC2CCOCC2)c1 ZINC000740632526 1076207566 /nfs/dbraw/zinc/20/75/66/1076207566.db2.gz UHSXJKMYDPKZLR-UHFFFAOYSA-N 0 0 415.581 2.057 20 0 HEADRN CS(=O)(=O)c1ccccc1NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000740646187 1076208002 /nfs/dbraw/zinc/20/80/02/1076208002.db2.gz RQAJLZUGMPXAAR-UHFFFAOYSA-N 0 0 403.428 2.268 20 0 HEADRN COC(=O)COc1cccc(NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000740647290 1076208308 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2.151 20 0 HEADRN Cc1ccc([C@@H](O)CNC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC000741270545 1076438865 /nfs/dbraw/zinc/43/88/65/1076438865.db2.gz QUEOBFQYSPOBMF-SFHVURJKSA-N 0 0 421.519 2.295 20 0 HEADRN CCOC(=O)[C@@H]1CN(C(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)CCO1 ZINC000741271373 1076439217 /nfs/dbraw/zinc/43/92/17/1076439217.db2.gz MKXINKJFARXIRL-IBGZPJMESA-N 0 0 420.506 2.025 20 0 HEADRN CCOC(=O)[C@H]1CN(C(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)CCO1 ZINC000741271374 1076439226 /nfs/dbraw/zinc/43/92/26/1076439226.db2.gz MKXINKJFARXIRL-LJQANCHMSA-N 0 0 420.506 2.025 20 0 HEADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)C1CC1 ZINC000741276319 1076441955 /nfs/dbraw/zinc/44/19/55/1076441955.db2.gz MTDLITGPQAPWTB-QZTJIDSGSA-N 0 0 416.522 2.390 20 0 HEADRN Cn1c2ccc(F)cc2nc1CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000741254399 1076445307 /nfs/dbraw/zinc/44/53/07/1076445307.db2.gz RJPOECXEXSTCPR-UHFFFAOYSA-N 0 0 402.451 2.318 20 0 HEADRN COc1cccc([C@H](O)CNC(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000741280945 1076446141 /nfs/dbraw/zinc/44/61/41/1076446141.db2.gz KOCGFAUZHPSMPW-ZPMCFJSWSA-N 0 0 413.518 2.317 20 0 HEADRN CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC000741256345 1076446240 /nfs/dbraw/zinc/44/62/40/1076446240.db2.gz WSAJZRBSTDQUSD-GFCCVEGCSA-N 0 0 401.790 2.311 20 0 HEADRN CCO[C@@H]1C[C@H](O)C12CCN(CC(=O)Nc1ccccc1C(=O)NCC(C)C)CC2 ZINC000741257204 1076446594 /nfs/dbraw/zinc/44/65/94/1076446594.db2.gz UDYQHRHVRZXRHG-VQTJNVASSA-N 0 0 417.550 2.263 20 0 HEADRN C[C@@H](NS(=O)(=O)Cc1ccc(Cl)nc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000741260363 1076447979 /nfs/dbraw/zinc/44/79/79/1076447979.db2.gz SELLYPCQQDOXHX-QAPCUYQASA-N 0 0 409.939 2.444 20 0 HEADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)NCc1ccc(N2CCOCC2)nc1)C1CC1 ZINC000741263441 1076448884 /nfs/dbraw/zinc/44/88/84/1076448884.db2.gz JSIPCCVASQZAPZ-KRWDZBQOSA-N 0 0 419.526 2.021 20 0 HEADRN O=C(CN1CCN(Cc2ccccc2)CC1)NC[C@@H](O)c1c(F)cccc1Cl ZINC000741295422 1076449287 /nfs/dbraw/zinc/44/92/87/1076449287.db2.gz GFPCGELCXWUDQG-LJQANCHMSA-N 0 0 405.901 2.447 20 0 HEADRN Cc1ccc([C@H](O)CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)o1 ZINC000741296963 1076449636 /nfs/dbraw/zinc/44/96/36/1076449636.db2.gz AJFZFSDZCBMQQM-LJQANCHMSA-N 0 0 420.531 2.455 20 0 HEADRN Cc1ccc([C@@H](O)CNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)o1 ZINC000741296273 1076449761 /nfs/dbraw/zinc/44/97/61/1076449761.db2.gz JUVWGNMEKRGUNF-VUVZNRFTSA-N 0 0 418.515 2.450 20 0 HEADRN Cc1ccc([C@H](O)CNC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)o1 ZINC000741298136 1076450185 /nfs/dbraw/zinc/45/01/85/1076450185.db2.gz HBJQZNHUAJFLJU-GOSISDBHSA-N 0 0 402.472 2.259 20 0 HEADRN CCn1c(=O)[nH]c2cc(C(=O)NC[C@H](O)c3c(F)cccc3Cl)ccc2c1=O ZINC000741299175 1076451044 /nfs/dbraw/zinc/45/10/44/1076451044.db2.gz QPSUZYFXAQTVMK-HNNXBMFYSA-N 0 0 405.813 2.378 20 0 HEADRN Cc1ccc([C@H](O)CNC(=O)c2ccc(C(=O)NC[C@H](O)c3ccc(C)o3)cc2)o1 ZINC000741300968 1076452046 /nfs/dbraw/zinc/45/20/46/1076452046.db2.gz JXDILOFZLLSBQZ-HDICACEKSA-N 0 0 412.442 2.416 20 0 HEADRN Cc1nc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c2ccccn12 ZINC000741282894 1076454008 /nfs/dbraw/zinc/45/40/08/1076454008.db2.gz BMNKHLUAZHFFIS-UHFFFAOYSA-N 0 0 400.460 2.385 20 0 HEADRN C[C@H](NC(=O)NC[C@@H](O)c1ccccc1F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741285189 1076455910 /nfs/dbraw/zinc/45/59/10/1076455910.db2.gz ZHIOEBIXMVVUHM-ZLGUVYLKSA-N 0 0 401.482 2.448 20 0 HEADRN Cc1cccc(CN(C)C(=O)c2cc(S(N)(=O)=O)c(Br)s2)n1 ZINC000741285723 1076455984 /nfs/dbraw/zinc/45/59/84/1076455984.db2.gz INCUFAQDRJFFLQ-UHFFFAOYSA-N 0 0 404.311 2.134 20 0 HEADRN Cc1ccc(C(=O)NCCC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)c(O)c1 ZINC000741291549 1076460522 /nfs/dbraw/zinc/46/05/22/1076460522.db2.gz ANSKDJCNTATPFO-MRXNPFEDSA-N 0 0 405.495 2.240 20 0 HEADRN COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)OCC(=O)c2cnn(C)c2)cc1OC ZINC000741293182 1076461088 /nfs/dbraw/zinc/46/10/88/1076461088.db2.gz AZBUEWHMCXYWSX-WCQYABFASA-N 0 0 401.419 2.072 20 0 HEADRN Cc1cc(C(=O)N2CCN(CC[S@](C)=O)CC2)c2ccc(Br)cc2n1 ZINC000741294502 1076462310 /nfs/dbraw/zinc/46/23/10/1076462310.db2.gz HDDMGGMBEXFNTP-VWLOTQADSA-N 0 0 424.364 2.442 20 0 HEADRN Cc1ccc([C@@H](O)CNC(=O)COc2ccc(I)cc2)o1 ZINC000741294744 1076462323 /nfs/dbraw/zinc/46/23/23/1076462323.db2.gz GBRWFPSNZDSTPR-ZDUSSCGKSA-N 0 0 401.200 2.421 20 0 HEADRN CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@@H](O)c3ccc(C)o3)cc(C3CC3)nc21 ZINC000741306431 1076462887 /nfs/dbraw/zinc/46/28/87/1076462887.db2.gz XVOFWFZMRLOELK-OAHLLOKOSA-N 0 0 412.446 2.149 20 0 HEADRN C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)OCC(=O)c2cnn(C)c2)c1 ZINC000741311762 1076464199 /nfs/dbraw/zinc/46/41/99/1076464199.db2.gz LWYXKEGZWVBLCB-CQSZACIVSA-N 0 0 405.476 2.023 20 0 HEADRN O=C(OCCOC[C@@H]1CCCO1)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000741312343 1076464673 /nfs/dbraw/zinc/46/46/73/1076464673.db2.gz OAJKECBFUHEPJE-PDANQNNMSA-N 0 0 423.531 2.438 20 0 HEADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)OCC(=O)c2cnn(C)c2)CC1 ZINC000741314237 1076465669 /nfs/dbraw/zinc/46/56/69/1076465669.db2.gz JRTVSUZUGMPBOC-UHFFFAOYSA-N 0 0 419.865 2.360 20 0 HEADRN O=C(OCCOC[C@H]1CCCO1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000741322552 1076467445 /nfs/dbraw/zinc/46/74/45/1076467445.db2.gz WEIXRHWOEZZTKU-HUUCEWRRSA-N 0 0 403.522 2.030 20 0 HEADRN O=C(OCCOC[C@H]1CCCO1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000741322550 1076467469 /nfs/dbraw/zinc/46/74/69/1076467469.db2.gz WEIXRHWOEZZTKU-CABCVRRESA-N 0 0 403.522 2.030 20 0 HEADRN CON(C)C(=O)[C@H](CCSC)NC(=O)c1cccc(Nc2ccc(C)nn2)c1 ZINC000766268633 1076467864 /nfs/dbraw/zinc/46/78/64/1076467864.db2.gz NYPOJXDYODMTAT-INIZCTEOSA-N 0 0 403.508 2.400 20 0 HEADRN CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](CC(=O)OC(C)C)C2)cc1C ZINC000766268389 1076468683 /nfs/dbraw/zinc/46/86/83/1076468683.db2.gz AYZPCDPMECHANV-MRXNPFEDSA-N 0 0 403.479 2.472 20 0 HEADRN Cc1ccc([C@@H](O)CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1 ZINC000741302381 1076468729 /nfs/dbraw/zinc/46/87/29/1076468729.db2.gz SDWYFYIIVHNJNT-SFHVURJKSA-N 0 0 406.504 2.472 20 0 HEADRN COC(=O)c1sccc1NC(=O)COC(=O)c1cccc(CN2CCOCC2)c1 ZINC000741339031 1076471460 /nfs/dbraw/zinc/47/14/60/1076471460.db2.gz VZIIOJOUKHHRNU-UHFFFAOYSA-N 0 0 418.471 2.162 20 0 HEADRN O=C(COC(=O)c1cccc(CN2CCOCC2)c1)N[C@@H]1CCOc2ccccc21 ZINC000741338822 1076471528 /nfs/dbraw/zinc/47/15/28/1076471528.db2.gz SQHGCUJSYLIHAA-HXUWFJFHSA-N 0 0 410.470 2.316 20 0 HEADRN C[C@@H]1Oc2ccc(C(=O)COC(=O)c3cccc(CN4CCOCC4)c3)cc2NC1=O ZINC000741338979 1076471566 /nfs/dbraw/zinc/47/15/66/1076471566.db2.gz UBUOCOQMTQWMDD-HNNXBMFYSA-N 0 0 424.453 2.278 20 0 HEADRN CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(CN3CCOCC3)c2)o1 ZINC000741339446 1076472897 /nfs/dbraw/zinc/47/28/97/1076472897.db2.gz YSSCSJQCURCMNP-OAHLLOKOSA-N 0 0 414.458 2.176 20 0 HEADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OCCOC[C@@H]3CCCO3)C2)s1 ZINC000741325059 1076476284 /nfs/dbraw/zinc/47/62/84/1076476284.db2.gz WBMSLQACPRBXCU-HOTGVXAUSA-N 0 0 417.549 2.196 20 0 HEADRN COc1cc2c(cc1OC)CN(C(=O)COC(=O)CN1CCc3ccccc31)CC2 ZINC000741330090 1076478652 /nfs/dbraw/zinc/47/86/52/1076478652.db2.gz FSWWMWOMTHMFAG-UHFFFAOYSA-N 0 0 410.470 2.194 20 0 HEADRN COc1cccc(CNC(=O)[C@H](C)OC(=O)c2cccc(CN3CCOCC3)c2)c1 ZINC000741335120 1076480465 /nfs/dbraw/zinc/48/04/65/1076480465.db2.gz SLJPPRCJSSZSOA-KRWDZBQOSA-N 0 0 412.486 2.389 20 0 HEADRN COc1ccc(CCNC(=O)[C@@H](C)OC(=O)CN2CCc3ccccc32)cc1OC ZINC000741333476 1076480511 /nfs/dbraw/zinc/48/05/11/1076480511.db2.gz VURYANRAJPIVJS-MRXNPFEDSA-N 0 0 412.486 2.357 20 0 HEADRN O=C(CCCc1ccccn1)OCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000741335173 1076480806 /nfs/dbraw/zinc/48/08/06/1076480806.db2.gz MFVGYUUDFLINNI-LJQANCHMSA-N 0 0 422.547 2.296 20 0 HEADRN C[C@@H](OC(=O)c1cccc(CN2CCOCC2)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000741336222 1076481282 /nfs/dbraw/zinc/48/12/82/1076481282.db2.gz KMFNHDSDPAMVHL-MRXNPFEDSA-N 0 0 423.469 2.049 20 0 HEADRN COC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(CN2CCOCC2)c1 ZINC000741336789 1076481475 /nfs/dbraw/zinc/48/14/75/1076481475.db2.gz MHSGDWZCSGGTJO-UHFFFAOYSA-N 0 0 412.442 2.101 20 0 HEADRN COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1nc(C)n3ccccc13)CC2 ZINC000741359074 1076483863 /nfs/dbraw/zinc/48/38/63/1076483863.db2.gz UARVXRJMPSDHRW-UHFFFAOYSA-N 0 0 409.442 2.402 20 0 HEADRN COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)cc1 ZINC000741362155 1076485168 /nfs/dbraw/zinc/48/51/68/1076485168.db2.gz RRJVNOIUOKOSCF-INIZCTEOSA-N 0 0 419.478 2.033 20 0 HEADRN COc1ccccc1[C@@H](C)NC(=O)COC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000741360381 1076485249 /nfs/dbraw/zinc/48/52/49/1076485249.db2.gz KZNTUHDQIGIGST-SJORKVTESA-N 0 0 419.522 2.493 20 0 HEADRN CCN1CCN(c2ccc(C(=O)OCCc3nnnn3-c3ccccc3)cc2F)CC1 ZINC000741344863 1076488109 /nfs/dbraw/zinc/48/81/09/1076488109.db2.gz KOGFPPMILCDYSX-UHFFFAOYSA-N 0 0 424.480 2.343 20 0 HEADRN CON(C)C(=O)[C@H](CCSC)NC(=O)c1nc(C(C)C)n(-c2ccccc2F)n1 ZINC000766270304 1076488132 /nfs/dbraw/zinc/48/81/32/1076488132.db2.gz YYIJJFYZBHLZRN-AWEZNQCLSA-N 0 0 423.514 2.401 20 0 HEADRN CCN1CCN(c2ccc(C(=O)OCC(=O)NC(=O)c3cccs3)cc2F)CC1 ZINC000741344760 1076488144 /nfs/dbraw/zinc/48/81/44/1076488144.db2.gz ZUAXFHJYAQRSTN-UHFFFAOYSA-N 0 0 419.478 2.143 20 0 HEADRN CCN1CCN(c2ccc(C(=O)OCC(=O)N(C)Cc3ccco3)cc2F)CC1 ZINC000741344872 1076488182 /nfs/dbraw/zinc/48/81/82/1076488182.db2.gz KZNGEIWARQKRQU-UHFFFAOYSA-N 0 0 403.454 2.376 20 0 HEADRN CN(C)C(=O)c1cccc(NC(=O)COC(=O)c2ccccc2Cn2cccn2)c1 ZINC000741347021 1076489523 /nfs/dbraw/zinc/48/95/23/1076489523.db2.gz PIYDOIZSMRBQES-UHFFFAOYSA-N 0 0 406.442 2.429 20 0 HEADRN O=C(COC(=O)c1ccccc1Cn1cccn1)N1CCN(Cc2ccsc2)CC1 ZINC000741348986 1076490669 /nfs/dbraw/zinc/49/06/69/1076490669.db2.gz SNGAXBHZWFCKRO-UHFFFAOYSA-N 0 0 424.526 2.494 20 0 HEADRN CCCCN(C(=O)COC(=O)Cc1c[nH]c2c1cccc2C)[C@@H]1CCS(=O)(=O)C1 ZINC000741348836 1076490703 /nfs/dbraw/zinc/49/07/03/1076490703.db2.gz IPAGGGNUFBJNRO-QGZVFWFLSA-N 0 0 420.531 2.378 20 0 HEADRN Cc1cccc2c(CC(=O)O[C@@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)C(C)C)c[nH]c21 ZINC000741350231 1076491522 /nfs/dbraw/zinc/49/15/22/1076491522.db2.gz CSQRQARKETZOKO-TZIWHRDSSA-N 0 0 420.531 2.280 20 0 HEADRN COc1cccc(CNC(=O)COC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000741351210 1076492138 /nfs/dbraw/zinc/49/21/38/1076492138.db2.gz FSMUFLRREJRCEN-NRFANRHFSA-N 0 0 412.486 2.146 20 0 HEADRN CCOC(=O)C1=C(COC(=O)[C@H]2CCCCN2Cc2ccccc2)NC(=O)N[C@H]1C ZINC000741352866 1076492661 /nfs/dbraw/zinc/49/26/61/1076492661.db2.gz NCXOIWJYSFUCQC-MAUKXSAKSA-N 0 0 415.490 2.103 20 0 HEADRN CC(C)[C@@H](OC(=O)[C@H]1CN(Cc2ccccc2)CCO1)C(=O)NCc1ccco1 ZINC000741388136 1076495642 /nfs/dbraw/zinc/49/56/42/1076495642.db2.gz RCDPFXSPGAFUKD-WOJBJXKFSA-N 0 0 400.475 2.365 20 0 HEADRN CC(C)CNC(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CCc3sccc3C2)C1 ZINC000741363566 1076499306 /nfs/dbraw/zinc/49/93/06/1076499306.db2.gz ZPFVBHRFFSQSBY-MRXNPFEDSA-N 0 0 407.536 2.254 20 0 HEADRN C[C@H](OC(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1)C(=O)N1CCOCC1 ZINC000741363346 1076499314 /nfs/dbraw/zinc/49/93/14/1076499314.db2.gz NGDIKHGBQOESOK-INIZCTEOSA-N 0 0 417.483 2.065 20 0 HEADRN COCC(=O)N[C@H](C(=O)OCC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C(C)C ZINC000741364524 1076499698 /nfs/dbraw/zinc/49/96/98/1076499698.db2.gz ZFADDTAQWFTWIF-VLIAUNLRSA-N 0 0 404.463 2.283 20 0 HEADRN NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000741366156 1076499994 /nfs/dbraw/zinc/49/99/94/1076499994.db2.gz GSNBXZBEEBWZQN-RDBSUJKOSA-N 0 0 414.380 2.098 20 0 HEADRN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)OCC(=O)c1ccccc1 ZINC000741366900 1076500227 /nfs/dbraw/zinc/50/02/27/1076500227.db2.gz IOVIGEPEYOULGW-UHFFFAOYSA-N 0 0 404.440 2.438 20 0 HEADRN C[C@H]1CCCN(C(=O)COC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)C1 ZINC000741367200 1076500289 /nfs/dbraw/zinc/50/02/89/1076500289.db2.gz AANSEHYFQYIHCR-ZWKOTPCHSA-N 0 0 402.491 2.106 20 0 HEADRN COCC(=O)N[C@H](C(=O)OCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000741366738 1076500393 /nfs/dbraw/zinc/50/03/93/1076500393.db2.gz MUTMVJPZXPKWTA-KRWDZBQOSA-N 0 0 419.305 2.282 20 0 HEADRN CCCNC(=O)c1cccc(C(=O)O[C@H](C)C(=O)NC(=O)NCc2ccccc2)c1 ZINC000741367340 1076500749 /nfs/dbraw/zinc/50/07/49/1076500749.db2.gz FZVZEUZGIIQZIO-OAHLLOKOSA-N 0 0 411.458 2.398 20 0 HEADRN Cc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)on1 ZINC000741370186 1076500951 /nfs/dbraw/zinc/50/09/51/1076500951.db2.gz MSPUCZJXXKBFAZ-JKSUJKDBSA-N 0 0 415.446 2.171 20 0 HEADRN CCCNC(=O)c1cccc(C(=O)OCC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000741369496 1076501297 /nfs/dbraw/zinc/50/12/97/1076501297.db2.gz YUASUVSFKWJFAC-UHFFFAOYSA-N 0 0 418.471 2.238 20 0 HEADRN C[C@H](OC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1)C(=O)N1CCC(C)CC1 ZINC000741372809 1076502128 /nfs/dbraw/zinc/50/21/28/1076502128.db2.gz JVDWLEJUFLRWMP-RBUKOAKNSA-N 0 0 416.518 2.494 20 0 HEADRN CC(C)(C)OC(=O)N1CCN(CC(=O)OCCCOc2ccc(F)cc2)C(=O)C1 ZINC000741374104 1076502423 /nfs/dbraw/zinc/50/24/23/1076502423.db2.gz OZDAOPZJAQZISY-UHFFFAOYSA-N 0 0 410.442 2.217 20 0 HEADRN Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)C[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000741374266 1076503091 /nfs/dbraw/zinc/50/30/91/1076503091.db2.gz MKFNCJNIRPAIBZ-IRXDYDNUSA-N 0 0 421.542 2.375 20 0 HEADRN O=C(COC(=O)c1ccncc1F)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000741377598 1076504035 /nfs/dbraw/zinc/50/40/35/1076504035.db2.gz JEJYCCOYHFXIEX-UHFFFAOYSA-N 0 0 421.450 2.191 20 0 HEADRN CC(=O)Nc1nc(COC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)cs1 ZINC000741376367 1076504059 /nfs/dbraw/zinc/50/40/59/1076504059.db2.gz RKYCBQSOWLGJTP-OAHLLOKOSA-N 0 0 417.487 2.462 20 0 HEADRN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COC(=O)c1ccncc1F ZINC000741380335 1076506024 /nfs/dbraw/zinc/50/60/24/1076506024.db2.gz WPGWFWUEDYHWCH-UHFFFAOYSA-N 0 0 413.327 2.493 20 0 HEADRN O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741384616 1076508439 /nfs/dbraw/zinc/50/84/39/1076508439.db2.gz DFOBWTXUBXKBQN-GOSISDBHSA-N 0 0 413.861 2.292 20 0 HEADRN Cc1ccc2cccc(C(=O)O[C@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)C(C)C)c2n1 ZINC000741384599 1076508748 /nfs/dbraw/zinc/50/87/48/1076508748.db2.gz RVFHZDSPQFODEA-RXVVDRJESA-N 0 0 418.515 2.418 20 0 HEADRN CN(Cc1ccc(F)cc1)C(=O)COC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741385505 1076509693 /nfs/dbraw/zinc/50/96/93/1076509693.db2.gz RMBDKHVSIBWHCD-HXUWFJFHSA-N 0 0 400.450 2.228 20 0 HEADRN NS(=O)(=O)c1cc(F)cc(NC(=O)NC[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000741395912 1076510011 /nfs/dbraw/zinc/51/00/11/1076510011.db2.gz QGWWJLUVNBDLFB-CYBMUJFWSA-N 0 0 405.810 2.121 20 0 HEADRN CCOC(=O)Cn1ccc2cc(NC(=O)N3CCO[C@H](C(=O)OCC)C3)ccc21 ZINC000741397966 1076510343 /nfs/dbraw/zinc/51/03/43/1076510343.db2.gz QMFLZHMDZOJFMD-KRWDZBQOSA-N 0 0 403.435 2.000 20 0 HEADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)N[C@@H](CCO)C3CC3)cc2)C1 ZINC000741402312 1076511426 /nfs/dbraw/zinc/51/14/26/1076511426.db2.gz AKKIWQZTEWAOEX-BEFAXECRSA-N 0 0 409.552 2.067 20 0 HEADRN CCOC(=O)[C@@H]1CN(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)CCO1 ZINC000741403873 1076511715 /nfs/dbraw/zinc/51/17/15/1076511715.db2.gz AXERMAUQMSVQGM-IBGZPJMESA-N 0 0 418.490 2.243 20 0 HEADRN Cc1ccc([C@@H](O)CNC(=O)NCCNC(=O)c2ccc(Br)cc2)o1 ZINC000741405317 1076512124 /nfs/dbraw/zinc/51/21/24/1076512124.db2.gz MXIYRMSMGSVWPE-AWEZNQCLSA-N 0 0 410.268 2.113 20 0 HEADRN CC(C)(C)[S@@](=O)CCNC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000741406146 1076512132 /nfs/dbraw/zinc/51/21/32/1076512132.db2.gz COGOEWMTEFCEMS-NDEPHWFRSA-N 0 0 404.536 2.183 20 0 HEADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)NCc1ccnc(-n2ccnc2)c1)C1CC1 ZINC000741408781 1076512717 /nfs/dbraw/zinc/51/27/17/1076512717.db2.gz QTIGUDYPTGFPGP-MRXNPFEDSA-N 0 0 400.483 2.370 20 0 HEADRN CN(CCN1CCN(c2ccccc2)CC1)C(=O)NCc1nnc(-c2ccccc2)[nH]1 ZINC000741410297 1076513339 /nfs/dbraw/zinc/51/33/39/1076513339.db2.gz IUGVIPVHIWMHSU-UHFFFAOYSA-N 0 0 419.533 2.435 20 0 HEADRN COc1ccc(OC)c(CN(CCO)C(=O)NCc2nnc(-c3ccccc3)[nH]2)c1 ZINC000741412202 1076513780 /nfs/dbraw/zinc/51/37/80/1076513780.db2.gz GTDAHXCPOXDTSA-UHFFFAOYSA-N 0 0 411.462 2.193 20 0 HEADRN COc1ccc(-c2nnc(CNC(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)[nH]2)cc1 ZINC000741419154 1076517461 /nfs/dbraw/zinc/51/74/61/1076517461.db2.gz QYPFRCCGPVHWMV-UHFFFAOYSA-N 0 0 419.445 2.471 20 0 HEADRN CCOC(=O)[C@H]1CN(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)CCO1 ZINC000741391057 1076518583 /nfs/dbraw/zinc/51/85/83/1076518583.db2.gz MDDRQNRXGZTXEE-CRAIPNDOSA-N 0 0 403.479 2.497 20 0 HEADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)Nc1ccc(NS(C)(=O)=O)cc1)C1CC1 ZINC000741393300 1076519288 /nfs/dbraw/zinc/51/92/88/1076519288.db2.gz KDDBSGXHXTUDQC-OAHLLOKOSA-N 0 0 412.512 2.483 20 0 HEADRN Cc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)o1 ZINC000741430178 1076522087 /nfs/dbraw/zinc/52/20/87/1076522087.db2.gz DMESGGUAKWHWLE-LBPRGKRZSA-N 0 0 424.335 2.445 20 0 HEADRN Cc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)o1 ZINC000741429605 1076522526 /nfs/dbraw/zinc/52/25/26/1076522526.db2.gz FNIJZJYYQKSAGU-NVXWUHKLSA-N 0 0 402.447 2.243 20 0 HEADRN C[C@H](NC(=O)N1CCCC[C@H]1C1OCCO1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741430761 1076522992 /nfs/dbraw/zinc/52/29/92/1076522992.db2.gz DRVNTRFQZYNREI-YSIASYRMSA-N 0 0 403.523 2.213 20 0 HEADRN Cc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)o1 ZINC000741430559 1076523422 /nfs/dbraw/zinc/52/34/22/1076523422.db2.gz INQYHRXOUPZDRS-MRXNPFEDSA-N 0 0 421.881 2.416 20 0 HEADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1)C1CC1 ZINC000741432117 1076523948 /nfs/dbraw/zinc/52/39/48/1076523948.db2.gz IXJKAAKHIITYFL-SJORKVTESA-N 0 0 402.495 2.172 20 0 HEADRN CCOC(=O)N1CCCN(C(=O)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000741432171 1076523971 /nfs/dbraw/zinc/52/39/71/1076523971.db2.gz JODJLVRNZBJLOH-QUCCMNQESA-N 0 0 418.538 2.150 20 0 HEADRN O=C(NC[C@H](O)c1c(F)cccc1Cl)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000741431732 1076524277 /nfs/dbraw/zinc/52/42/77/1076524277.db2.gz RHMYANPXMMDXGV-PBHICJAKSA-N 0 0 422.840 2.435 20 0 HEADRN Cc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)o1 ZINC000741431851 1076524294 /nfs/dbraw/zinc/52/42/94/1076524294.db2.gz KJJYRQMQXAINNL-ZBFHGGJFSA-N 0 0 406.410 2.073 20 0 HEADRN COC(=O)NCc1ccc(NC(=O)C(=O)NC[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000741431340 1076524668 /nfs/dbraw/zinc/52/46/68/1076524668.db2.gz RGMGUMXLDIGJQE-OAHLLOKOSA-N 0 0 423.828 2.123 20 0 HEADRN O=C(NC[C@@H](O)c1c(F)cccc1Cl)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000741433094 1076524861 /nfs/dbraw/zinc/52/48/61/1076524861.db2.gz WAXIRXBEFUQDLL-CQSZACIVSA-N 0 0 408.813 2.429 20 0 HEADRN O=C(NC[C@@H](O)c1c(F)cccc1Cl)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000741433121 1076524864 /nfs/dbraw/zinc/52/48/64/1076524864.db2.gz VYMRFVAXLIDABB-LLVKDONJSA-N 0 0 421.734 2.387 20 0 HEADRN NC(=O)c1cc(NC(=O)C(=O)NC[C@H](O)c2c(F)cccc2Cl)ccc1Cl ZINC000741433044 1076525267 /nfs/dbraw/zinc/52/52/67/1076525267.db2.gz VQHALOFSXFXXNM-ZDUSSCGKSA-N 0 0 414.220 2.020 20 0 HEADRN COC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000741432398 1076525531 /nfs/dbraw/zinc/52/55/31/1076525531.db2.gz SSBCPSXXPWBSRL-AWEZNQCLSA-N 0 0 409.801 2.446 20 0 HEADRN Cc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc(C)c(NC(=O)c3ccncc3)c2)o1 ZINC000741435207 1076526267 /nfs/dbraw/zinc/52/62/67/1076526267.db2.gz YOJGKVYDKUUAKG-GOSISDBHSA-N 0 0 422.441 2.332 20 0 HEADRN CCOc1ccc(COC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cc1OC ZINC000741434969 1076526459 /nfs/dbraw/zinc/52/64/59/1076526459.db2.gz 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CCc1nn(C)c(Cl)c1C(=O)N1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000767714939 1080048644 /nfs/dbraw/zinc/04/86/44/1080048644.db2.gz NKYDKCCDTGEUOZ-DGCLKSJQSA-N 0 0 400.907 2.390 20 0 HEADRN COc1ccc([C@@H](NC(=O)C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)C(C)C)cc1 ZINC000785540708 1080049603 /nfs/dbraw/zinc/04/96/03/1080049603.db2.gz AWZFNSZEYYHCKX-SFHVURJKSA-N 0 0 419.522 2.492 20 0 HEADRN O=C(OCc1ccc(N2CCOCC2)cc1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000785540804 1080049717 /nfs/dbraw/zinc/04/97/17/1080049717.db2.gz CYYPIHDWLRPCDE-UHFFFAOYSA-N 0 0 405.454 2.485 20 0 HEADRN CC1(c2ccc(S(=O)(=O)N3CCC(c4nnc5n4CCC5)CC3)cc2)OCCO1 ZINC000767718526 1080050208 /nfs/dbraw/zinc/05/02/08/1080050208.db2.gz JRYMLQPVURHKFD-UHFFFAOYSA-N 0 0 418.519 2.012 20 0 HEADRN CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)C(=O)NCCc2cccc(F)c2)C1 ZINC000785543446 1080050894 /nfs/dbraw/zinc/05/08/94/1080050894.db2.gz ZIRGPHAFFNQZAI-KRWDZBQOSA-N 0 0 407.486 2.390 20 0 HEADRN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)CC1 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ZINC000767747197 1080064224 /nfs/dbraw/zinc/06/42/24/1080064224.db2.gz WGNSJHFSXSVFIY-CYBMUJFWSA-N 0 0 402.417 2.444 20 0 HEADRN CCN(CC)C(=O)[C@@H](C)OC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000767747098 1080064429 /nfs/dbraw/zinc/06/44/29/1080064429.db2.gz STBROFQQIZKGJA-WZYMTQMTSA-N 0 0 410.511 2.249 20 0 HEADRN CCCCNC(=O)[C@H](C)OC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000767747216 1080064482 /nfs/dbraw/zinc/06/44/82/1080064482.db2.gz SVURMBMHXNOKKW-HNSVSWJLSA-N 0 0 410.511 2.297 20 0 HEADRN COc1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cnc1Cl ZINC000767747112 1080064794 /nfs/dbraw/zinc/06/47/94/1080064794.db2.gz TVNVTKIPIURFSG-MRXNPFEDSA-N 0 0 423.922 2.256 20 0 HEADRN CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000767747659 1080065376 /nfs/dbraw/zinc/06/53/76/1080065376.db2.gz VIUZMGBFRDIUJL-YZDRTPDPSA-N 0 0 410.511 2.295 20 0 HEADRN CCCN(C(=O)[C@H](C)OC(=O)c1cc(F)c(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000785591742 1080065785 /nfs/dbraw/zinc/06/57/85/1080065785.db2.gz GSTUHDOXEDVQCG-WDEREUQCSA-N 0 0 407.410 2.075 20 0 HEADRN CCCCn1c2nc(COC(=O)c3cccc4n[nH]cc43)n(CC)c2c(=O)[nH]c1=O ZINC000785592510 1080066195 /nfs/dbraw/zinc/06/61/95/1080066195.db2.gz NUAOKMHIILKQDH-UHFFFAOYSA-N 0 0 410.434 2.352 20 0 HEADRN CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)OCc3nc(C4CC4)no3)C[C@@H](C1)C2=O ZINC000767749148 1080066609 /nfs/dbraw/zinc/06/66/09/1080066609.db2.gz KOGIPEHDNSGKEH-AGUYFDCRSA-N 0 0 405.451 2.452 20 0 HEADRN CC(C)CCNC(=O)C1CCN(C(=O)COC(=O)c2cccc3n[nH]cc32)CC1 ZINC000785593708 1080066816 /nfs/dbraw/zinc/06/68/16/1080066816.db2.gz ZUWHZWFIJCFKAA-UHFFFAOYSA-N 0 0 400.479 2.121 20 0 HEADRN Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)c3cc(F)cnc3Cl)n12 ZINC000767749701 1080067198 /nfs/dbraw/zinc/06/71/98/1080067198.db2.gz IHNWSLJTTYEDJV-UHFFFAOYSA-N 0 0 401.785 2.434 20 0 HEADRN CC(C)CN1C[C@@H]2CN(C(=O)CSC(=S)N3CCC(C)CC3)CCN2C1=O ZINC000785595930 1080067544 /nfs/dbraw/zinc/06/75/44/1080067544.db2.gz OXUCBFGGTOTUDC-INIZCTEOSA-N 0 0 412.625 2.341 20 0 HEADRN CCN(CCc1ccccn1)C(=O)C(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000785596789 1080068551 /nfs/dbraw/zinc/06/85/51/1080068551.db2.gz AYMMZRLMCMLBAJ-IBGZPJMESA-N 0 0 409.465 2.251 20 0 HEADRN Cn1ccnc1[C@@H](NC(=O)C(=O)NCCc1ccc(Cl)nc1)c1cccc(F)c1 ZINC000785599626 1080070219 /nfs/dbraw/zinc/07/02/19/1080070219.db2.gz DRWQTUUCMQJDDP-KRWDZBQOSA-N 0 0 415.856 2.172 20 0 HEADRN CSCC[C@@H](NC(=O)C(=O)NCc1ccc(Cl)nc1)c1nnc2ccccn21 ZINC000785601376 1080070593 /nfs/dbraw/zinc/07/05/93/1080070593.db2.gz LETVAGARDNPJIH-CYBMUJFWSA-N 0 0 418.910 2.005 20 0 HEADRN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000767754912 1080071414 /nfs/dbraw/zinc/07/14/14/1080071414.db2.gz HVPYKZCQCTWZOA-LJQANCHMSA-N 0 0 423.510 2.186 20 0 HEADRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N[C@@H](c1nccn1C)c1ccccc1F ZINC000785601230 1080071512 /nfs/dbraw/zinc/07/15/12/1080071512.db2.gz APDBVMFFTVKKNJ-RBUKOAKNSA-N 0 0 422.464 2.057 20 0 HEADRN C[C@@H](CNC(=O)C(=O)NCc1ccc(C(F)(F)F)cc1)NC(=O)OC(C)(C)C 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DXVMEOHFJFSFDQ-SFHVURJKSA-N 0 0 415.534 2.274 20 0 HEADRN CC(=O)Nc1ccc(CCNS(=O)(=O)c2ccc(C3(C)OCCO3)cc2)cc1 ZINC000767761229 1080074660 /nfs/dbraw/zinc/07/46/60/1080074660.db2.gz FBYRZWOAKDIUAE-UHFFFAOYSA-N 0 0 404.488 2.386 20 0 HEADRN COc1ccccc1CN1CCN(S(=O)(=O)c2cnc(Cl)c(OC)c2)CC1 ZINC000767762327 1080074996 /nfs/dbraw/zinc/07/49/96/1080074996.db2.gz KGLQCBRRPDDPAW-UHFFFAOYSA-N 0 0 411.911 2.259 20 0 HEADRN CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)C1 ZINC000767765431 1080076008 /nfs/dbraw/zinc/07/60/08/1080076008.db2.gz KTKPKJVDAOSDJW-HNNXBMFYSA-N 0 0 412.508 2.194 20 0 HEADRN CN(CCNC(=O)C(=O)NCc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C ZINC000785606578 1080075998 /nfs/dbraw/zinc/07/59/98/1080075998.db2.gz UGKSFDFGZJOZNL-UHFFFAOYSA-N 0 0 403.401 2.305 20 0 HEADRN CC(C)CN(C(=O)COC(=O)c1cc(F)c(Cl)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000785609330 1080076889 /nfs/dbraw/zinc/07/68/89/1080076889.db2.gz KJRBGPPZFOVQEC-LLVKDONJSA-N 0 0 423.865 2.447 20 0 HEADRN COC(=O)c1ccccc1CC(=O)OCC(=O)N1CCN([C@H](C)c2ccccc2)CC1 ZINC000767769180 1080077822 /nfs/dbraw/zinc/07/78/22/1080077822.db2.gz RULMAQYJGSQYPA-GOSISDBHSA-N 0 0 424.497 2.464 20 0 HEADRN NC(=O)NCCCCC(=O)OCc1noc(Cc2ccc(Br)cc2)n1 ZINC000785562946 1080078506 /nfs/dbraw/zinc/07/85/06/1080078506.db2.gz RPDZTFQOXVTPLE-UHFFFAOYSA-N 0 0 411.256 2.305 20 0 HEADRN COC(=O)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(C2(C)OCCO2)cc1 ZINC000767770522 1080078640 /nfs/dbraw/zinc/07/86/40/1080078640.db2.gz GNGFAHYYCHIATE-GOSISDBHSA-N 0 0 405.472 2.441 20 0 HEADRN C[C@@H](OCCCNC(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1)c1ccccc1 ZINC000785562736 1080078973 /nfs/dbraw/zinc/07/89/73/1080078973.db2.gz PCBFEEVLLXCWBK-MJGOQNOKSA-N 0 0 404.507 2.463 20 0 HEADRN CSC[C@@H]1CCCN1Cn1nc(N2CCOCC2)n(C[C@H]2CCCO2)c1=S ZINC000767771161 1080079086 /nfs/dbraw/zinc/07/90/86/1080079086.db2.gz OYJDJVRYNIQMDU-JKSUJKDBSA-N 0 0 413.613 2.215 20 0 HEADRN CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCC(=O)c2cccc(F)c2)CC1 ZINC000767772550 1080080438 /nfs/dbraw/zinc/08/04/38/1080080438.db2.gz CBYATBDJJFCNOL-CQSZACIVSA-N 0 0 408.426 2.021 20 0 HEADRN CCn1c2ccc(S(=O)(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)cc2oc1=O ZINC000767773926 1080082020 /nfs/dbraw/zinc/08/20/20/1080082020.db2.gz JMJCQMKWMDCWEX-LBPRGKRZSA-N 0 0 413.496 2.148 20 0 HEADRN COc1cc(C(=O)Nc2c3nsnc3ccc2Cl)cc(OC)c1OCC(N)=O ZINC000742204015 1080082492 /nfs/dbraw/zinc/08/24/92/1080082492.db2.gz ZULYLIJXXVYDNW-UHFFFAOYSA-N 0 0 422.850 2.478 20 0 HEADRN NC(=O)NCCCCC(=O)OCC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000785572939 1080083194 /nfs/dbraw/zinc/08/31/94/1080083194.db2.gz SUUSGDSLKJNAIJ-UHFFFAOYSA-N 0 0 418.519 2.384 20 0 HEADRN O=C(CSc1nnc(-c2ccncc2)n1CC(F)(F)F)N[C@H]1CCSC1=O ZINC000742206472 1080084092 /nfs/dbraw/zinc/08/40/92/1080084092.db2.gz FLKFUKCPEPXJIL-JTQLQIEISA-N 0 0 417.438 2.143 20 0 HEADRN CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)C1 ZINC000767753172 1080086634 /nfs/dbraw/zinc/08/66/34/1080086634.db2.gz ZUEJSDGHHYFCGW-MRXNPFEDSA-N 0 0 410.536 2.223 20 0 HEADRN CCc1ccc(NC(=O)c2nnc(CN3CCN(CCCCO)CC3)s2)cc1 ZINC000746488395 1080086725 /nfs/dbraw/zinc/08/67/25/1080086725.db2.gz RWOPCLRXYXCISQ-UHFFFAOYSA-N 0 0 403.552 2.243 20 0 HEADRN O=C(NCc1ccccc1Cn1cccn1)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000785639577 1080086831 /nfs/dbraw/zinc/08/68/31/1080086831.db2.gz FTRINYWEFICBDN-FQEVSTJZSA-N 0 0 404.470 2.058 20 0 HEADRN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCc1ccccc1Cn1cccn1 ZINC000785641327 1080088208 /nfs/dbraw/zinc/08/82/08/1080088208.db2.gz SAIFILBANCJSMG-QFIPXVFZSA-N 0 0 420.513 2.438 20 0 HEADRN Cc1cncc(COC(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)[C@H](C)O)c1 ZINC000785641801 1080089659 /nfs/dbraw/zinc/08/96/59/1080089659.db2.gz SMKSGTWJRIPCIC-YWZLYKJASA-N 0 0 414.483 2.314 20 0 HEADRN CCOC(=O)c1ccc2c(c1)n(CN1CCS[C@@H]3COCC[C@H]31)c(=O)n2CC ZINC000767781129 1080089881 /nfs/dbraw/zinc/08/98/81/1080089881.db2.gz GNBGWPRODZKJSD-SJLPKXTDSA-N 0 0 405.520 2.163 20 0 HEADRN CC(=O)c1ccc(N2CCN(C(=O)COC(=O)c3ccc(F)nc3)CC2)c(F)c1 ZINC000785641450 1080089930 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2.249 20 0 HEADRN CCOC(=O)N1CCC(NC(=O)COC(=O)CCC(=O)c2cccc(F)c2)CC1 ZINC000767787101 1080093964 /nfs/dbraw/zinc/09/39/64/1080093964.db2.gz QYZJBLJCWDRNJG-UHFFFAOYSA-N 0 0 408.426 2.069 20 0 HEADRN O=C(CN(CCO)Cc1ccc(Cl)c(Cl)c1)N1CCC2(CC1)OCCO2 ZINC000767788020 1080094619 /nfs/dbraw/zinc/09/46/19/1080094619.db2.gz JJFXTZGJZUZAJA-UHFFFAOYSA-N 0 0 403.306 2.153 20 0 HEADRN O=S(=O)(NC[C@@H](O)c1ccccc1F)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000767789720 1080095613 /nfs/dbraw/zinc/09/56/13/1080095613.db2.gz ZRCVOXVADMAAQV-SCLBCKFNSA-N 0 0 413.442 2.392 20 0 HEADRN COc1ccc(CN(C)C(=O)C(=O)N[C@@H](c2nccn2C)c2ccccc2OC)cc1 ZINC000785648308 1080095953 /nfs/dbraw/zinc/09/59/53/1080095953.db2.gz YZWGNFSTJLOLRX-HXUWFJFHSA-N 0 0 422.485 2.302 20 0 HEADRN O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000785647857 1080096537 /nfs/dbraw/zinc/09/65/37/1080096537.db2.gz NZNKCJZOUNVYSC-BPQIPLTHSA-N 0 0 417.531 2.131 20 0 HEADRN Cc1cncc(COC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000785648694 1080097620 /nfs/dbraw/zinc/09/76/20/1080097620.db2.gz YYTMPFRSDIHYHL-UHFFFAOYSA-N 0 0 404.366 2.310 20 0 HEADRN COc1ccc(-c2nc(=S)n(CN3CCOC4(CCOCC4)C3)[nH]2)c(OC)c1 ZINC000767792980 1080097632 /nfs/dbraw/zinc/09/76/32/1080097632.db2.gz YNPYSHMBJJPHPP-UHFFFAOYSA-N 0 0 406.508 2.464 20 0 HEADRN COc1ccccc1[C@H](NC(=O)C(=O)NC[C@H]1CCC(F)(F)C1)c1nccn1C ZINC000785649769 1080099064 /nfs/dbraw/zinc/09/90/64/1080099064.db2.gz RIEASKGMHPPBIQ-BBRMVZONSA-N 0 0 406.433 2.186 20 0 HEADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000767798508 1080101135 /nfs/dbraw/zinc/10/11/35/1080101135.db2.gz HGYGHJSLJQJDJQ-WBVHZDCISA-N 0 0 413.559 2.316 20 0 HEADRN CCOc1ccnc(N2CCCN(CN3C(=O)[C@@H](C)N(c4ccccc4)C3=O)CC2)n1 ZINC000767798634 1080102881 /nfs/dbraw/zinc/10/28/81/1080102881.db2.gz XZBZOWNLGFOIRQ-QGZVFWFLSA-N 0 0 424.505 2.202 20 0 HEADRN COc1ccc(CNC(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)cn1 ZINC000767800066 1080103654 /nfs/dbraw/zinc/10/36/54/1080103654.db2.gz ZLPVBWGQMLQWHP-MQVJKMGUSA-N 0 0 403.479 2.169 20 0 HEADRN CC(C)NC(=O)c1ccc(C(=O)OCC(=O)NCCOc2ccc(F)cc2)cc1 ZINC000767801349 1080104664 /nfs/dbraw/zinc/10/46/64/1080104664.db2.gz MZDGURCAGDLROR-UHFFFAOYSA-N 0 0 402.422 2.316 20 0 HEADRN COc1cc(CNC(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)ccn1 ZINC000767802321 1080105970 /nfs/dbraw/zinc/10/59/70/1080105970.db2.gz SMBJDCUHMZWWGA-MQVJKMGUSA-N 0 0 403.479 2.169 20 0 HEADRN CCOc1ncc(C)cc1NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC001129376467 1080106494 /nfs/dbraw/zinc/10/64/94/1080106494.db2.gz CSCVGCFOUXOJTI-UHFFFAOYSA-N 0 0 411.505 2.457 20 0 HEADRN COC(=O)C1CCN(C(=O)[C@H](OC(=O)c2cccc(-c3nc[nH]n3)c2)C(C)C)CC1 ZINC000767807005 1080106819 /nfs/dbraw/zinc/10/68/19/1080106819.db2.gz JMJUXGFEUVPUFW-QGZVFWFLSA-N 0 0 414.462 2.065 20 0 HEADRN CN(C)C(=O)Cn1cnc(NC(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000767802785 1080107982 /nfs/dbraw/zinc/10/79/82/1080107982.db2.gz YTONOJBNLLRLAY-CYBMUJFWSA-N 0 0 410.400 2.407 20 0 HEADRN 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JYIAEXKYLJEFHG-RCDICMHDSA-N 0 0 408.458 2.219 20 0 HEADRN CC(C)(CNC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)c1ccncc1 ZINC000769123012 1080945087 /nfs/dbraw/zinc/94/50/87/1080945087.db2.gz WFYSOXZYZAZDRM-UHFFFAOYSA-N 0 0 418.450 2.285 20 0 HEADRN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)OC[C@H]3CC4(CC4)C(=O)O3)n[nH]2)C1 ZINC000786991671 1080945330 /nfs/dbraw/zinc/94/53/30/1080945330.db2.gz NDEFQLDCYPFKMU-CHWSQXEVSA-N 0 0 405.451 2.387 20 0 HEADRN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NC[C@@H](O)c1c(F)cccc1F)C2=O ZINC000769126388 1080946015 /nfs/dbraw/zinc/94/60/15/1080946015.db2.gz LBPTZMDBYPRJJZ-JLTOFOAXSA-N 0 0 409.433 2.005 20 0 HEADRN COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1ccc(Cn2cccn2)o1 ZINC000769127767 1080946076 /nfs/dbraw/zinc/94/60/76/1080946076.db2.gz DVHQODWXKSRJCX-LBPRGKRZSA-N 0 0 414.393 2.207 20 0 HEADRN C[C@H](CN1CCOCC1)OC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 ZINC000786990834 1080947052 /nfs/dbraw/zinc/94/70/52/1080947052.db2.gz GZVIXIMDGCYXEK-HUUCEWRRSA-N 0 0 408.499 2.012 20 0 HEADRN COc1ccc2ccccc2c1CNC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C ZINC000787017338 1080947414 /nfs/dbraw/zinc/94/74/14/1080947414.db2.gz MGEQOTGTYDMCLK-UHFFFAOYSA-N 0 0 415.490 2.448 20 0 HEADRN COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC000769129224 1080948120 /nfs/dbraw/zinc/94/81/20/1080948120.db2.gz KEWMFBYWISBJNH-JQWIXIFHSA-N 0 0 404.442 2.210 20 0 HEADRN COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)Cc1ccc(NC(C)=O)cc1 ZINC000769130765 1080948644 /nfs/dbraw/zinc/94/86/44/1080948644.db2.gz BHEXSIQUEBCFKL-GFCCVEGCSA-N 0 0 415.421 2.257 20 0 HEADRN CCN(C(=O)COC(=O)c1ccc(CS(N)(=O)=O)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000746625519 1080949524 /nfs/dbraw/zinc/94/95/24/1080949524.db2.gz DQZXZMZGKYMCMO-AWEZNQCLSA-N 0 0 422.478 2.381 20 0 HEADRN COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)Cc1ccc(-n2cccn2)cc1 ZINC000769131129 1080949909 /nfs/dbraw/zinc/94/99/09/1080949909.db2.gz RPOGMCQCVWSQKX-CQSZACIVSA-N 0 0 424.432 2.484 20 0 HEADRN CC(C)(C)c1cnc(CNC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)o1 ZINC000746625545 1080949875 /nfs/dbraw/zinc/94/98/75/1080949875.db2.gz HQBLLAUDFMXDRT-YRYLYKBFSA-N 0 0 424.501 2.392 20 0 HEADRN COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC000769132910 1080950298 /nfs/dbraw/zinc/95/02/98/1080950298.db2.gz XKTYRLFEPNZDQJ-WCQYABFASA-N 0 0 418.469 2.285 20 0 HEADRN O=C(OCc1ccccc1)N1CCN(CN2C(=O)CN(c3ccccc3)C2=O)CC1 ZINC000746626505 1080950902 /nfs/dbraw/zinc/95/09/02/1080950902.db2.gz SEDAAUCSHIESAO-UHFFFAOYSA-N 0 0 408.458 2.367 20 0 HEADRN COc1ccc2ccccc2c1CNC(=O)C(=O)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000787020420 1080951493 /nfs/dbraw/zinc/95/14/93/1080951493.db2.gz SVLZURVESHIBLP-KRWDZBQOSA-N 0 0 412.486 2.466 20 0 HEADRN COc1cccc(CNC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)c1OC ZINC000787020414 1080951597 /nfs/dbraw/zinc/95/15/97/1080951597.db2.gz SQRYYXBSFXHOCR-JKSUJKDBSA-N 0 0 402.447 2.028 20 0 HEADRN COc1cccc(CNC(=O)C(=O)N(C[C@@H](O)c2ccc(F)cc2)C2CC2)c1OC ZINC000787020391 1080951636 /nfs/dbraw/zinc/95/16/36/1080951636.db2.gz SAWNGPGAOBFEEU-GOSISDBHSA-N 0 0 416.449 2.184 20 0 HEADRN Cc1cnc(CC(=O)OCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)s1 ZINC000787021734 1080951993 /nfs/dbraw/zinc/95/19/93/1080951993.db2.gz BLUVRWRRYIFHQY-UHFFFAOYSA-N 0 0 407.536 2.178 20 0 HEADRN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)O[C@@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC000769133159 1080952012 /nfs/dbraw/zinc/95/20/12/1080952012.db2.gz HQWRJXNJTLBARG-QGZVFWFLSA-N 0 0 424.375 2.154 20 0 HEADRN COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000769133997 1080953278 /nfs/dbraw/zinc/95/32/78/1080953278.db2.gz YBAPWQRBDXMKDN-LLVKDONJSA-N 0 0 404.394 2.387 20 0 HEADRN C[C@H](OC(=O)c1ccc(CS(N)(=O)=O)cc1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000746627493 1080954618 /nfs/dbraw/zinc/95/46/18/1080954618.db2.gz LJGJMXKJSISOEY-CABCVRRESA-N 0 0 416.499 2.388 20 0 HEADRN COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000769137647 1080954840 /nfs/dbraw/zinc/95/48/40/1080954840.db2.gz ZYBOUDBHGWTMKT-LBPRGKRZSA-N 0 0 416.405 2.069 20 0 HEADRN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)OCC(=O)NC2CCCCC2)cc1 ZINC000769137775 1080954885 /nfs/dbraw/zinc/95/48/85/1080954885.db2.gz CRKCULXNFVDFCL-UHFFFAOYSA-N 0 0 412.433 2.238 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)C(=O)NCCCC(C)(C)CO)C1 ZINC000787026858 1080955140 /nfs/dbraw/zinc/95/51/40/1080955140.db2.gz IWBPWLVHSUAOFF-NRFANRHFSA-N 0 0 413.559 2.055 20 0 HEADRN COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)[C@@H]1OCCc2ccccc21 ZINC000769137302 1080955237 /nfs/dbraw/zinc/95/52/37/1080955237.db2.gz YSWURMBLXWOVKS-KPZWWZAWSA-N 0 0 400.406 2.370 20 0 HEADRN COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1cccc(OC)c1OC ZINC000769139806 1080955931 /nfs/dbraw/zinc/95/59/31/1080955931.db2.gz NTBQWXCPUIGZBI-LLVKDONJSA-N 0 0 404.394 2.387 20 0 HEADRN CNC(=O)c1cccc(COC(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)c1 ZINC000769141443 1080956930 /nfs/dbraw/zinc/95/69/30/1080956930.db2.gz YTCDCKIHJXANQD-UHFFFAOYSA-N 0 0 420.412 2.348 20 0 HEADRN CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000769147664 1080960970 /nfs/dbraw/zinc/96/09/70/1080960970.db2.gz RBSKPWOBCKVLLC-JOCHJYFZSA-N 0 0 408.458 2.476 20 0 HEADRN C[C@@H](NC(=O)C(=O)NCc1cc(F)ccc1F)c1cccc(N2CCOC2=O)c1 ZINC000787038507 1080961289 /nfs/dbraw/zinc/96/12/89/1080961289.db2.gz KDJBZHPSSCBEBK-GFCCVEGCSA-N 0 0 403.385 2.415 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N2CCc3ccccc3[C@@H]2C(N)=O)C1 ZINC000769189477 1080963279 /nfs/dbraw/zinc/96/32/79/1080963279.db2.gz MCLZNQQPNJDKJK-QFBILLFUSA-N 0 0 417.506 2.014 20 0 HEADRN CN(C)c1ccc(NC(=O)CNC(=O)c2ccccc2C(F)(F)F)c(C(N)=O)c1 ZINC000769190756 1080964055 /nfs/dbraw/zinc/96/40/55/1080964055.db2.gz VFCMRMCOHMZMDU-UHFFFAOYSA-N 0 0 408.380 2.239 20 0 HEADRN CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(Cc2cn3cccc(F)c3n2)C1 ZINC000769191782 1080965439 /nfs/dbraw/zinc/96/54/39/1080965439.db2.gz DIOLHNIEHSLUNO-HNNXBMFYSA-N 0 0 419.501 2.326 20 0 HEADRN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COC(=O)[C@@H]1CCC=CO1 ZINC000787043650 1080965755 /nfs/dbraw/zinc/96/57/55/1080965755.db2.gz VLKIWWQQISDAMF-AWEZNQCLSA-N 0 0 400.353 2.338 20 0 HEADRN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)C(=O)NCc3cc(F)ccc3F)C2)C1 ZINC000787043506 1080966298 /nfs/dbraw/zinc/96/62/98/1080966298.db2.gz BVUQAIZVYYBTSQ-OAQYLSRUSA-N 0 0 423.460 2.441 20 0 HEADRN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C[C@H](c2ccccc2)N2CCOC2=O)CCO1 ZINC000746623096 1080966479 /nfs/dbraw/zinc/96/64/79/1080966479.db2.gz CBYJKTBPDJEMIA-SJORKVTESA-N 0 0 404.463 2.139 20 0 HEADRN Cc1cc(-n2c(C)cn(CN3CCN(C(=O)OCc4ccccc4)CC3)c2=O)no1 ZINC000746623463 1080969040 /nfs/dbraw/zinc/96/90/40/1080969040.db2.gz CDEJCNBKRZQTHS-UHFFFAOYSA-N 0 0 411.462 2.156 20 0 HEADRN Cc1cc(S(N)(=O)=O)sc1C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000746622588 1080969061 /nfs/dbraw/zinc/96/90/61/1080969061.db2.gz YYJGHUFNFRHLCL-AWEZNQCLSA-N 0 0 408.501 2.055 20 0 HEADRN CC[C@](C)(CCCNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)C1OCCO1 ZINC000769149151 1080969650 /nfs/dbraw/zinc/96/96/50/1080969650.db2.gz AYTHVXNFOXCUCZ-NHCUHLMSSA-N 0 0 403.479 2.040 20 0 HEADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC1(C)Cc2ccccc2C1 ZINC000769152855 1080971135 /nfs/dbraw/zinc/97/11/35/1080971135.db2.gz JQEGGTCLUMTYAV-SFHVURJKSA-N 0 0 403.523 2.326 20 0 HEADRN C[C@H](NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)[C@@H](O)c1c(F)cccc1Cl ZINC000769152958 1080971148 /nfs/dbraw/zinc/97/11/48/1080971148.db2.gz VVQPRRRYEKDZTM-OJTOOCJTSA-N 0 0 419.840 2.386 20 0 HEADRN O=S(=O)(c1ccc2nc(Cl)sc2c1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000746624450 1080971130 /nfs/dbraw/zinc/97/11/30/1080971130.db2.gz GXSKXBMQMQPICV-SNVBAGLBSA-N 0 0 406.938 2.290 20 0 HEADRN CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000769152292 1080971568 /nfs/dbraw/zinc/97/15/68/1080971568.db2.gz PCEVDUQMIYNDTN-LBPRGKRZSA-N 0 0 405.451 2.328 20 0 HEADRN COC(=O)c1cccc(CCNC(=O)/C(=C\c2cccc(OC)c2)n2nnnc2C)c1 ZINC000769153590 1080972413 /nfs/dbraw/zinc/97/24/13/1080972413.db2.gz KPQWKBVZHZGBMM-XSFVSMFZSA-N 0 0 421.457 2.134 20 0 HEADRN C[C@@H](OC(=O)Cc1ccccc1CO)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000787063936 1080975626 /nfs/dbraw/zinc/97/56/26/1080975626.db2.gz STKOBNPZSLAVOG-KWJFTMPMSA-N 0 0 414.502 2.448 20 0 HEADRN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ncc(C(C)(C)C)o3)C2=O)cc1 ZINC000746628806 1080977312 /nfs/dbraw/zinc/97/73/12/1080977312.db2.gz VPINIHIJPRFOAQ-OAQYLSRUSA-N 0 0 414.462 2.064 20 0 HEADRN C[C@@H](NC(=O)[C@H](C)OC(=O)[C@@H](F)c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000769160828 1080979026 /nfs/dbraw/zinc/97/90/26/1080979026.db2.gz RKQYWONVEMLCRL-IGCXYCKISA-N 0 0 408.451 2.154 20 0 HEADRN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)OC(=O)C(F)(F)C1(O)CCCC1 ZINC000769161054 1080979500 /nfs/dbraw/zinc/97/95/00/1080979500.db2.gz OWAJRTILLLUHEQ-LLVKDONJSA-N 0 0 414.405 2.464 20 0 HEADRN C[C@H](CC1CCCCC1)NC(=O)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F ZINC000787073315 1080979558 /nfs/dbraw/zinc/97/95/58/1080979558.db2.gz UFBFZNLMQWUXPN-ACJLOTCBSA-N 0 0 418.460 2.151 20 0 HEADRN CC(=O)Nc1cccc([C@H](C)NC(=O)C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000787077384 1080981409 /nfs/dbraw/zinc/98/14/09/1080981409.db2.gz BYKDGBRGUHPLPB-KBPBESRZSA-N 0 0 420.510 2.099 20 0 HEADRN CC(=O)Nc1cccc([C@H](C)NC(=O)C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000787078523 1080982606 /nfs/dbraw/zinc/98/26/06/1080982606.db2.gz DEJGJENUOLXKMU-KBPBESRZSA-N 0 0 420.510 2.194 20 0 HEADRN CC(=O)Nc1cccc([C@H](C)NC(=O)C(=O)NCc2cccc(N3CCOC3=O)c2)c1 ZINC000787081825 1080984796 /nfs/dbraw/zinc/98/47/96/1080984796.db2.gz KEDRDYFYNNLECO-AWEZNQCLSA-N 0 0 424.457 2.095 20 0 HEADRN COc1cc(OC)cc(C(=O)N2CCN(Cc3cc(Br)nn3C)CC2)c1 ZINC000787081239 1080985536 /nfs/dbraw/zinc/98/55/36/1080985536.db2.gz XEXIHXAUZAOAKX-UHFFFAOYSA-N 0 0 423.311 2.158 20 0 HEADRN Cn1nc(Br)cc1CN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000787082168 1080986130 /nfs/dbraw/zinc/98/61/30/1080986130.db2.gz QFNOUECEEPCMPM-UHFFFAOYSA-N 0 0 417.311 2.149 20 0 HEADRN CN(C)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c(C(N)=O)c1 ZINC000769169745 1080986330 /nfs/dbraw/zinc/98/63/30/1080986330.db2.gz QQQHIVCYGIBOGX-AWEZNQCLSA-N 0 0 414.893 2.492 20 0 HEADRN C[C@@H]1CCC[C@H]1CC(=O)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000769170346 1080987015 /nfs/dbraw/zinc/98/70/15/1080987015.db2.gz CEOGFRIRZCJZKC-MJGOQNOKSA-N 0 0 422.547 2.030 20 0 HEADRN CN(C)c1ccc(NC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)c(C(N)=O)c1 ZINC000769170473 1080987239 /nfs/dbraw/zinc/98/72/39/1080987239.db2.gz YFYJXIMKICATGA-CYBMUJFWSA-N 0 0 400.426 2.339 20 0 HEADRN C[C@H](NC(=O)N(C)Cc1ncnn1CC(F)F)c1cccc(N2CCOC2=O)c1 ZINC000787083306 1080987827 /nfs/dbraw/zinc/98/78/27/1080987827.db2.gz XEHQIURIRFUQCS-LBPRGKRZSA-N 0 0 408.409 2.402 20 0 HEADRN CC[C@@H](NC(=O)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F)C1CCCCC1 ZINC000787085823 1080989252 /nfs/dbraw/zinc/98/92/52/1080989252.db2.gz XZBFHCXYEJIQJU-RDTXWAMCSA-N 0 0 418.460 2.151 20 0 HEADRN CC(=O)Nc1cccc([C@H](C)NC(=O)C(=O)N(C)CCCNC(=O)OC(C)(C)C)c1 ZINC000787086048 1080990626 /nfs/dbraw/zinc/99/06/26/1080990626.db2.gz 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CCS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000771038630 1079112404 /nfs/dbraw/zinc/11/24/04/1079112404.db2.gz ITCBGZGTYOFSSH-CQSZACIVSA-N 0 0 400.928 2.117 20 0 HEADRN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N[C@@H](CO)C2CC2)c1 ZINC000771055418 1079115595 /nfs/dbraw/zinc/11/55/95/1079115595.db2.gz SJLAXWHXUYGTFL-LIRRHRJNSA-N 0 0 400.500 2.327 20 0 HEADRN COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)c2ncccc2Br)CCO1 ZINC001169076592 1079114054 /nfs/dbraw/zinc/11/40/54/1079114054.db2.gz WWZSBSIIUMCPKU-QGZVFWFLSA-N 0 0 415.284 2.043 20 0 HEADRN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@H](CO)C1CC1 ZINC000771054418 1079115611 /nfs/dbraw/zinc/11/56/11/1079115611.db2.gz QFXWJYZNTADGEM-LJQANCHMSA-N 0 0 408.454 2.382 20 0 HEADRN O=C(Cc1noc(C[C@H]2CSCCS2)n1)N1CCn2c3ccccc3nc21 ZINC000771055526 1079116053 /nfs/dbraw/zinc/11/60/53/1079116053.db2.gz CQCHZMRNSBPIPD-LBPRGKRZSA-N 0 0 401.517 2.400 20 0 HEADRN COc1c[nH]c(C(=O)Nc2ccc(N3CC[C@@H](CO)C3)c(Br)c2)cc1=O ZINC001169050984 1079116589 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/nfs/dbraw/zinc/42/23/68/1076422368.db2.gz WJISPYWBCYZQCU-IBGZPJMESA-N 0 0 417.483 2.065 20 0 HEADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)COc1ccc2c(c1)CCC(=O)N2)C1CC1 ZINC000741228012 1076423002 /nfs/dbraw/zinc/42/30/02/1076423002.db2.gz JLLREEVAQNLZKE-KRWDZBQOSA-N 0 0 403.479 2.370 20 0 HEADRN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000741227203 1076423471 /nfs/dbraw/zinc/42/34/71/1076423471.db2.gz GHZLJKCXDDHBOK-HNNXBMFYSA-N 0 0 417.510 2.253 20 0 HEADRN CCOC(=O)[C@H]1CN(C(=O)CSc2nnc(-c3ccccc3C)n2CC)CCO1 ZINC000741227208 1076423527 /nfs/dbraw/zinc/42/35/27/1076423527.db2.gz WSRRTBISXXNGGV-MRXNPFEDSA-N 0 0 418.519 2.156 20 0 HEADRN CCOC(=O)[C@H]1CN(C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)CCO1 ZINC000741228717 1076423976 /nfs/dbraw/zinc/42/39/76/1076423976.db2.gz HIKYEMHOHURSAF-LJQANCHMSA-N 0 0 402.447 2.203 20 0 HEADRN CCOC(=O)[C@H]1CN(C(=O)c2ccccc2OCc2cn3ccccc3n2)CCO1 ZINC000741228799 1076423983 /nfs/dbraw/zinc/42/39/83/1076423983.db2.gz JFXKCKQPOLOHJS-LJQANCHMSA-N 0 0 409.442 2.317 20 0 HEADRN CCOC(=O)[C@H]1CN(C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2CC)CCO1 ZINC000741229659 1076424288 /nfs/dbraw/zinc/42/42/88/1076424288.db2.gz XHOZWMJHJWDGIN-GOSISDBHSA-N 0 0 416.478 2.021 20 0 HEADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)C1CC1 ZINC000741230789 1076425199 /nfs/dbraw/zinc/42/51/99/1076425199.db2.gz BCGKJCSSFQTTPR-OAHLLOKOSA-N 0 0 403.479 2.222 20 0 HEADRN CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)CCO1 ZINC000741230378 1076425700 /nfs/dbraw/zinc/42/57/00/1076425700.db2.gz MBSXZDSTOXYWCM-UKRRQHHQSA-N 0 0 415.412 2.107 20 0 HEADRN C[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000741232644 1076427258 /nfs/dbraw/zinc/42/72/58/1076427258.db2.gz IYOOKFILFACJBN-UZLBHIALSA-N 0 0 417.531 2.077 20 0 HEADRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)CC2 ZINC000741232640 1076427272 /nfs/dbraw/zinc/42/72/72/1076427272.db2.gz IQILXHBFDOKAEW-HUUCEWRRSA-N 0 0 403.447 2.075 20 0 HEADRN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)CN1C(=S)N=NC1c1ccc(C)cc1)CC2 ZINC000741234845 1076428463 /nfs/dbraw/zinc/42/84/63/1076428463.db2.gz WXSPBSJPQFWEOG-IAGOWNOFSA-N 0 0 416.547 2.321 20 0 HEADRN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CN1C(=S)N=NC1c1ccc(C)cc1)CC2 ZINC000741234847 1076428486 /nfs/dbraw/zinc/42/84/86/1076428486.db2.gz WXSPBSJPQFWEOG-SJORKVTESA-N 0 0 416.547 2.321 20 0 HEADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)C1CC1 ZINC000741235763 1076428846 /nfs/dbraw/zinc/42/88/46/1076428846.db2.gz QYRDKWUNTDELJF-INIZCTEOSA-N 0 0 413.478 2.004 20 0 HEADRN Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000741236551 1076429756 /nfs/dbraw/zinc/42/97/56/1076429756.db2.gz IMTCRPQOGGTMRJ-UHFFFAOYSA-N 0 0 419.532 2.153 20 0 HEADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)Cn1cc(Br)ccc1=O)C1CC1 ZINC000741236453 1076430096 /nfs/dbraw/zinc/43/00/96/1076430096.db2.gz KTTITABFCUWVGU-ZDUSSCGKSA-N 0 0 414.300 2.030 20 0 HEADRN CS(=O)(=O)CCn1ccc(NC(=O)c2cc3c(cccc3Br)[nH]2)n1 ZINC000741237268 1076430804 /nfs/dbraw/zinc/43/08/04/1076430804.db2.gz UCUCDCPCWQOINC-UHFFFAOYSA-N 0 0 411.281 2.424 20 0 HEADRN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000741239441 1076432134 /nfs/dbraw/zinc/43/21/34/1076432134.db2.gz ZLWWTHLJOGZMHJ-ROUUACIJSA-N 0 0 414.510 2.185 20 0 HEADRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C[C@@H]1c3ccccc3CCN1C(C)=O)CC2 ZINC000741241206 1076433052 /nfs/dbraw/zinc/43/30/52/1076433052.db2.gz QDZPXEQVODUDRU-QHAWAJNXSA-N 0 0 400.519 2.301 20 0 HEADRN CCOC(=O)[C@H]1CN(Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CCO1 ZINC000741242772 1076433300 /nfs/dbraw/zinc/43/33/00/1076433300.db2.gz RYAFOGQWBORUFY-LJQANCHMSA-N 0 0 411.433 2.424 20 0 HEADRN O=C(c1cc2occc2s1)N1CCN(CN2C(=O)C[C@@]3(CCSC3)C2=O)CC1 ZINC000741245836 1076434475 /nfs/dbraw/zinc/43/44/75/1076434475.db2.gz JXRVBRNOELDACO-LJQANCHMSA-N 0 0 419.528 2.092 20 0 HEADRN CCOC(=O)[C@H]1CN(CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CCO1 ZINC000741249009 1076435608 /nfs/dbraw/zinc/43/56/08/1076435608.db2.gz QDKSWTOZRKQGNX-HXUWFJFHSA-N 0 0 400.475 2.071 20 0 HEADRN CCCS(=O)(=O)N1CCC(NC(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000741267023 1076436750 /nfs/dbraw/zinc/43/67/50/1076436750.db2.gz JCEKDDZWQWJIGT-IBGZPJMESA-N 0 0 419.551 2.128 20 0 HEADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)C1CC1 ZINC000741267711 1076437425 /nfs/dbraw/zinc/43/74/25/1076437425.db2.gz CLBQMWGIFMKATL-TZMCWYRMSA-N 0 0 408.465 2.473 20 0 HEADRN Cc1ccc([C@H](O)CNC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)o1 ZINC000741272039 1076438846 /nfs/dbraw/zinc/43/88/46/1076438846.db2.gz ZZLJHJGISMUETD-QGZVFWFLSA-N 0 0 421.519 2.295 20 0 HEADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)NCc1cccnc1-n1cccn1)C1CC1 ZINC000741271144 1076438857 /nfs/dbraw/zinc/43/88/57/1076438857.db2.gz UYJJQAGUHNDBHD-INIZCTEOSA-N 0 0 400.483 2.370 20 0 HEADRN Cc1ccc([C@H](O)CNC(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)o1 ZINC000741271412 1076439211 /nfs/dbraw/zinc/43/92/11/1076439211.db2.gz MZADEPLNVORRBQ-MRXNPFEDSA-N 0 0 402.447 2.398 20 0 HEADRN Cc1cccc([C@H](C)CNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000741275193 1076440867 /nfs/dbraw/zinc/44/08/67/1076440867.db2.gz IVDXWEUHXVIZES-QGZVFWFLSA-N 0 0 418.538 2.477 20 0 HEADRN CCOC(=O)[C@H]1CN(S(=O)(=O)/C=C\c2ccccc2Br)CCO1 ZINC000741254904 1076444850 /nfs/dbraw/zinc/44/48/50/1076444850.db2.gz OJWQMYNUSXEHOB-JKEYDSJLSA-N 0 0 404.282 2.014 20 0 HEADRN CCOC(=O)[C@@H]1CN(S(=O)(=O)/C=C/c2cccc(Br)c2)CCO1 ZINC000741254354 1076445173 /nfs/dbraw/zinc/44/51/73/1076445173.db2.gz NKHDFRIERMBUGV-MRZGDXHCSA-N 0 0 404.282 2.014 20 0 HEADRN COC(=O)c1ccc(S(=O)(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)s1 ZINC000741255519 1076445624 /nfs/dbraw/zinc/44/56/24/1076445624.db2.gz QSPRUFPVFNMPOM-LLVKDONJSA-N 0 0 404.510 2.116 20 0 HEADRN CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCO1 ZINC000741258335 1076447043 /nfs/dbraw/zinc/44/70/43/1076447043.db2.gz SITYROBBJQFEBG-LLVKDONJSA-N 0 0 401.790 2.311 20 0 HEADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)c(F)c1 ZINC000741259744 1076447613 /nfs/dbraw/zinc/44/76/13/1076447613.db2.gz PADGRVQYPFRHGW-OAHLLOKOSA-N 0 0 415.487 2.366 20 0 HEADRN COc1ccc(OC)c(S(=O)(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)c1 ZINC000741259562 1076447637 /nfs/dbraw/zinc/44/76/37/1076447637.db2.gz NGOMAUOMUYJQJV-CQSZACIVSA-N 0 0 400.497 2.285 20 0 HEADRN Cn1ccnc1C(=O)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000741262068 1076448358 /nfs/dbraw/zinc/44/83/58/1076448358.db2.gz AZUGLMRQKPLGON-UHFFFAOYSA-N 0 0 420.395 2.447 20 0 HEADRN COC(=O)c1cc(S(=O)(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)ccc1Br ZINC000741261377 1076448394 /nfs/dbraw/zinc/44/83/94/1076448394.db2.gz ZLGGGHILIJUISO-ZLKJLUDKSA-N 0 0 418.309 2.328 20 0 HEADRN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NC[C@@H](O)c2ccc(C)o2)cc1 ZINC000741295546 1076449218 /nfs/dbraw/zinc/44/92/18/1076449218.db2.gz IYGPFAWSUPZWPR-GOSISDBHSA-N 0 0 422.503 2.041 20 0 HEADRN Cc1ccc([C@@H](O)CNC(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)o1 ZINC000741299065 1076450614 /nfs/dbraw/zinc/45/06/14/1076450614.db2.gz HTTWCTZZIXDGAL-MJGOQNOKSA-N 0 0 400.475 2.445 20 0 HEADRN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3)C[C@@H](C)O)C2=O)cc1 ZINC000741301102 1076452060 /nfs/dbraw/zinc/45/20/60/1076452060.db2.gz XVIVULSLGRGELF-UZUQRXQVSA-N 0 0 409.486 2.172 20 0 HEADRN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000741300398 1076452197 /nfs/dbraw/zinc/45/21/97/1076452197.db2.gz QRQAYGSWYSJPLX-JWRCQZCYSA-N 0 0 415.559 2.367 20 0 HEADRN C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000741300401 1076452257 /nfs/dbraw/zinc/45/22/57/1076452257.db2.gz QRQAYGSWYSJPLX-SFNQZPIRSA-N 0 0 415.559 2.367 20 0 HEADRN Cc1ccc(C(=O)N2CCN(CC[S@](C)=O)CC2)cc1NC(=O)NC(C)(C)C ZINC000741301416 1076452736 /nfs/dbraw/zinc/45/27/36/1076452736.db2.gz QSTNBQWGXCKGLT-NDEPHWFRSA-N 0 0 408.568 2.051 20 0 HEADRN CN(CC(=O)NCc1ccccc1)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000741281412 1076453179 /nfs/dbraw/zinc/45/31/79/1076453179.db2.gz MIENKHANWPJHSC-QGZVFWFLSA-N 0 0 404.511 2.248 20 0 HEADRN C[C@@](O)(CNC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1)c1cccs1 ZINC000741286326 1076456832 /nfs/dbraw/zinc/45/68/32/1076456832.db2.gz ZDJHOEPBQCJRSJ-IIBYNOLFSA-N 0 0 402.516 2.389 20 0 HEADRN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000741290785 1076459172 /nfs/dbraw/zinc/45/91/72/1076459172.db2.gz ZWJPPDLOFPROPS-CQGGRAHPSA-N 0 0 415.559 2.367 20 0 HEADRN NC(=O)c1cc(C(=O)NC[C@@H](O)c2c(F)cccc2Cl)nn1-c1ccccc1 ZINC000741290809 1076459191 /nfs/dbraw/zinc/45/91/91/1076459191.db2.gz FMFNGMBEEYQCAC-MRXNPFEDSA-N 0 0 402.813 2.227 20 0 HEADRN Cc1ccc(C(=O)NCCC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c(O)c1 ZINC000741291548 1076460261 /nfs/dbraw/zinc/46/02/61/1076460261.db2.gz ANSKDJCNTATPFO-INIZCTEOSA-N 0 0 405.495 2.240 20 0 HEADRN C[S@@](=O)CCN1CCN(C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1 ZINC000741291571 1076460534 /nfs/dbraw/zinc/46/05/34/1076460534.db2.gz IRFGIBCFBQJAJK-MUUNZHRXSA-N 0 0 414.453 2.027 20 0 HEADRN O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)OCCOC[C@H]1CCCO1 ZINC000741311433 1076464570 /nfs/dbraw/zinc/46/45/70/1076464570.db2.gz XWLALZOQVADODQ-MRXNPFEDSA-N 0 0 412.446 2.193 20 0 HEADRN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)OCCOC[C@@H]1CCCO1)C2=O ZINC000741311370 1076464613 /nfs/dbraw/zinc/46/46/13/1076464613.db2.gz WDEMCAKSUSOBHE-TZQQIIETSA-N 0 0 410.511 2.252 20 0 HEADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2cnn(C)c2)cc1 ZINC000741313162 1076465047 /nfs/dbraw/zinc/46/50/47/1076465047.db2.gz KJAOCOINBFXEQV-UHFFFAOYSA-N 0 0 419.503 2.413 20 0 HEADRN Cn1cc(C(=O)COC(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)cn1 ZINC000741320900 1076466598 /nfs/dbraw/zinc/46/65/98/1076466598.db2.gz YAEHBUWUQNOKDS-KRWDZBQOSA-N 0 0 412.446 2.123 20 0 HEADRN O=C(CN1CCCCC(=O)C1=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC001129325613 1076469929 /nfs/dbraw/zinc/46/99/29/1076469929.db2.gz XSCOFLMQODTJIG-UHFFFAOYSA-N 0 0 405.252 2.155 20 0 HEADRN O=C(OCCOC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000741324680 1076476812 /nfs/dbraw/zinc/47/68/12/1076476812.db2.gz SQLACKULCSZGKI-AWEZNQCLSA-N 0 0 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CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc3nnnn3c2)n(-c2ccccc2)n1 ZINC000786051933 1080385905 /nfs/dbraw/zinc/38/59/05/1080385905.db2.gz XNVLNOUVALSSSV-UHFFFAOYSA-N 0 0 419.445 2.403 20 0 HEADRN CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000768200442 1080390723 /nfs/dbraw/zinc/39/07/23/1080390723.db2.gz QLKIYBMLWJCKGT-HNNXBMFYSA-N 0 0 405.470 2.464 20 0 HEADRN CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CCO[C@H](c2ncon2)C1)c1ccccc1 ZINC000768202773 1080392592 /nfs/dbraw/zinc/39/25/92/1080392592.db2.gz HMCCYDDLHNFJNK-YWZLYKJASA-N 0 0 402.451 2.410 20 0 HEADRN COCCN(CC(=O)NCc1nc(-c2cccc(F)c2)no1)C(=O)OC(C)(C)C ZINC000786097474 1080393398 /nfs/dbraw/zinc/39/33/98/1080393398.db2.gz SOIABAKWVSNTDC-UHFFFAOYSA-N 0 0 408.430 2.375 20 0 HEADRN C[C@H]1Oc2ccc(C(=O)COC(=O)CC3(N4CCOCC4)CCCC3)cc2NC1=O ZINC000786102249 1080397065 /nfs/dbraw/zinc/39/70/65/1080397065.db2.gz WUISXALEDVBASM-OAHLLOKOSA-N 0 0 416.474 2.167 20 0 HEADRN Cc1nnnn1/C(=C/c1ccccc1)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC000786103906 1080398290 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422.478 2.435 20 0 HEADRN O=C(Nc1ccnn1C1CCCCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000743131178 1076960534 /nfs/dbraw/zinc/96/05/34/1076960534.db2.gz JCNKUOPCDHIJEG-UHFFFAOYSA-N 0 0 422.511 2.056 20 0 HEADRN Cn1cc([C@H](O)CNC(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)cn1 ZINC000743131187 1076963397 /nfs/dbraw/zinc/96/33/97/1076963397.db2.gz JFVYXOBYOSCEQR-OAQYLSRUSA-N 0 0 419.485 2.407 20 0 HEADRN CCOC(=O)N(C)c1ccc(NC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1 ZINC000743124998 1076966118 /nfs/dbraw/zinc/96/61/18/1076966118.db2.gz LHOACJTVDAPFTB-CXAGYDPISA-N 0 0 414.466 2.328 20 0 HEADRN COCCOC(=O)Nc1cccc(NC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000743124419 1076966131 /nfs/dbraw/zinc/96/61/31/1076966131.db2.gz UKIZSMIFCOTUNO-QGZVFWFLSA-N 0 0 416.482 2.406 20 0 HEADRN Cc1cc([C@](C)(O)CNC(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c(C)o1 ZINC000743123485 1076966183 /nfs/dbraw/zinc/96/61/83/1076966183.db2.gz VEBLSKKJGDHDSU-SIKLNZKXSA-N 0 0 414.506 2.375 20 0 HEADRN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)NC[C@@H](O)COc1cccc(F)c1 ZINC000743125600 1076966932 /nfs/dbraw/zinc/96/69/32/1076966932.db2.gz VJQBLMKFKWNVQY-LJQANCHMSA-N 0 0 416.428 2.432 20 0 HEADRN Cc1ccc(NC(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1NS(C)(=O)=O ZINC000743150622 1076967853 /nfs/dbraw/zinc/96/78/53/1076967853.db2.gz DXRQYTYIVCITQP-UHFFFAOYSA-N 0 0 410.540 2.383 20 0 HEADRN CC(=O)NCc1ccc(C(=O)OCC(=O)NCCOc2ccc(Cl)cc2)s1 ZINC000743152643 1076968435 /nfs/dbraw/zinc/96/84/35/1076968435.db2.gz CMSFWSHYYMTWBK-UHFFFAOYSA-N 0 0 410.879 2.390 20 0 HEADRN O=C(COC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000743155297 1076969942 /nfs/dbraw/zinc/96/99/42/1076969942.db2.gz OYWDSFIERAOYJK-DLBZAZTESA-N 0 0 404.438 2.258 20 0 HEADRN COCC[S@@](=O)Cc1cccc(NC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000743157737 1076970522 /nfs/dbraw/zinc/97/05/22/1076970522.db2.gz DWXRGBQEGGKTNK-RBSBEOHCSA-N 0 0 419.551 2.106 20 0 HEADRN C[C@](O)(CNC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)c1ccco1 ZINC000743132897 1076970603 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NGHCLZFTOROGEX-LJQANCHMSA-N 0 0 409.515 2.299 20 0 HEADRN O=C(c1cccc(N2CCOC2=O)c1)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000741612636 1076554961 /nfs/dbraw/zinc/55/49/61/1076554961.db2.gz LITPYGAAIXULIN-UHFFFAOYSA-N 0 0 403.442 2.482 20 0 HEADRN O=C(c1ccc(N2CCOC2=O)cc1)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000741616250 1076555707 /nfs/dbraw/zinc/55/57/07/1076555707.db2.gz USJQJMSBEAYNDG-UHFFFAOYSA-N 0 0 403.442 2.482 20 0 HEADRN Cn1cc(C(C)(C)NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cn1 ZINC000741616305 1076555783 /nfs/dbraw/zinc/55/57/83/1076555783.db2.gz VUWAIMGCBCVTGI-UHFFFAOYSA-N 0 0 408.499 2.399 20 0 HEADRN CCO[C@H]1C[C@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C12CCC2 ZINC000741615717 1076556057 /nfs/dbraw/zinc/55/60/57/1076556057.db2.gz RZAMSRYKMRBGIG-IRXDYDNUSA-N 0 0 404.488 2.071 20 0 HEADRN COCCN(CC(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O)C(=O)OC(C)(C)C ZINC000741619129 1076557371 /nfs/dbraw/zinc/55/73/71/1076557371.db2.gz IMSWXYOCRUUKEI-KRWDZBQOSA-N 0 0 405.495 2.100 20 0 HEADRN CC(=O)[C@H]1CC(C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)=NN1c1ccccc1 ZINC000741618721 1076557687 /nfs/dbraw/zinc/55/76/87/1076557687.db2.gz FKEHJEAFTSSXEW-TZIWHRDSSA-N 0 0 404.470 2.440 20 0 HEADRN COc1ccc([C@H](CC(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)NC(C)=O)cc1 ZINC000741621453 1076558674 /nfs/dbraw/zinc/55/86/74/1076558674.db2.gz ZOFCUXOJOVDWIX-SFTDATJTSA-N 0 0 409.486 2.493 20 0 HEADRN Cc1ccc(N2CC[C@@H](NC(=O)[C@H](C)N3C(=O)c4ccc(C)cc4C3=O)C2=O)cc1 ZINC000741621352 1076558683 /nfs/dbraw/zinc/55/86/83/1076558683.db2.gz WEFPTZWOICUVMH-HNAYVOBHSA-N 0 0 405.454 2.210 20 0 HEADRN Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CSCN3C(=O)c3ccccc3)C2=O)cc1 ZINC000741621380 1076558712 /nfs/dbraw/zinc/55/87/12/1076558712.db2.gz XBNNRQCUSHHOOD-MOPGFXCFSA-N 0 0 409.511 2.432 20 0 HEADRN C[C@@H](Sc1ccc(Br)cc1)C(=O)NCCOCCS(C)(=O)=O ZINC000741621161 1076558796 /nfs/dbraw/zinc/55/87/96/1076558796.db2.gz BMJCROBYVCDAOV-LLVKDONJSA-N 0 0 410.355 2.107 20 0 HEADRN Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3CSCN3C(=O)C3CCCC3)C2=O)cc1 ZINC000741621481 1076559458 /nfs/dbraw/zinc/55/94/58/1076559458.db2.gz KINAOJXLFAZZPN-ROUUACIJSA-N 0 0 401.532 2.308 20 0 HEADRN Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CSCN3C(=O)C3CCCC3)C2=O)cc1 ZINC000741621476 1076559481 /nfs/dbraw/zinc/55/94/81/1076559481.db2.gz KINAOJXLFAZZPN-MSOLQXFVSA-N 0 0 401.532 2.308 20 0 HEADRN O=C(Nc1ccc(N2CCOC2=O)cc1)C(=O)NC1CC(OCc2ccccc2)C1 ZINC000766272926 1076561587 /nfs/dbraw/zinc/56/15/87/1076561587.db2.gz CJQXIXKYYCAICI-UHFFFAOYSA-N 0 0 409.442 2.446 20 0 HEADRN CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)C1(C)C ZINC000766272798 1076561905 /nfs/dbraw/zinc/56/19/05/1076561905.db2.gz WDLANZSYFYKFAA-DLBZAZTESA-N 0 0 403.479 2.286 20 0 HEADRN COC(=O)c1cc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)c(Br)cc1F ZINC000741604840 1076563038 /nfs/dbraw/zinc/56/30/38/1076563038.db2.gz UMMVJHUXENWEMI-QMMMGPOBSA-N 0 0 406.229 2.262 20 0 HEADRN O=C(CN1c2ccccc2OCCC1=O)Nc1ccc(I)cn1 ZINC000741606647 1076564124 /nfs/dbraw/zinc/56/41/24/1076564124.db2.gz DWUSQSCITVRHHS-UHFFFAOYSA-N 0 0 423.210 2.440 20 0 HEADRN CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2coc(-c3ccccc3)n2)C(=O)C1 ZINC000741607939 1076564588 /nfs/dbraw/zinc/56/45/88/1076564588.db2.gz QXYWGYWJRLYELZ-UHFFFAOYSA-N 0 0 414.462 2.037 20 0 HEADRN CN(C)C(=O)c1cccc(CCNC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)c1 ZINC000741609487 1076565328 /nfs/dbraw/zinc/56/53/28/1076565328.db2.gz TYICNQCPJAFEGQ-UHFFFAOYSA-N 0 0 408.433 2.046 20 0 HEADRN C=CC(=O)NCc1ccc(C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)cc1 ZINC000741611777 1076565702 /nfs/dbraw/zinc/56/57/02/1076565702.db2.gz FWWCULDDTXHOLL-UHFFFAOYSA-N 0 0 401.470 2.327 20 0 HEADRN COC[C@@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)C(C)C ZINC000741612040 1076565720 /nfs/dbraw/zinc/56/57/20/1076565720.db2.gz OIONAYJMUNVHOV-CYBMUJFWSA-N 0 0 407.330 2.100 20 0 HEADRN O=C(COc1ccc2ccc(=O)oc2c1)NCCCN1C(=O)COc2ccccc21 ZINC000741636552 1076566180 /nfs/dbraw/zinc/56/61/80/1076566180.db2.gz QLRZIQANSHQUSK-UHFFFAOYSA-N 0 0 408.410 2.104 20 0 HEADRN CCCc1ccc(N2C[C@H](C(=O)N[C@@H](CCSC)C(=O)N(C)OC)CC2=O)cc1 ZINC000766272161 1076567623 /nfs/dbraw/zinc/56/76/23/1076567623.db2.gz YMMUGVMEZLASFL-AEFFLSMTSA-N 0 0 421.563 2.250 20 0 HEADRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000741646377 1076568581 /nfs/dbraw/zinc/56/85/81/1076568581.db2.gz IBTHZKDRDLODQX-UHFFFAOYSA-N 0 0 420.434 2.106 20 0 HEADRN Cc1csc(CCN2C(=O)N[C@H](c3cn(C)nn3)C(C(=O)OCC(C)C)=C2C)n1 ZINC000741645700 1076568645 /nfs/dbraw/zinc/56/86/45/1076568645.db2.gz BRLGGVHOVWEUKS-QGZVFWFLSA-N 0 0 418.523 2.362 20 0 HEADRN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cn(C)nn2)NC(=O)N1C[C@@H]1CCCO1 ZINC000741646915 1076569084 /nfs/dbraw/zinc/56/90/84/1076569084.db2.gz IWGJZGGTWBQFRL-LPHOPBHVSA-N 0 0 411.462 2.078 20 0 HEADRN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000766272124 1076570010 /nfs/dbraw/zinc/57/00/10/1076570010.db2.gz PLJOETVUWWQXBB-GOSISDBHSA-N 0 0 406.486 2.492 20 0 HEADRN CCc1noc(COc2ccc(OC(=O)c3ccc(S(=O)(=O)N(C)C)o3)cc2)n1 ZINC000741625406 1076570164 /nfs/dbraw/zinc/57/01/64/1076570164.db2.gz NEEMABWOGSJXLU-UHFFFAOYSA-N 0 0 421.431 2.274 20 0 HEADRN CCc1noc(COc2ccc(OC(=O)Cn3c4ccccc4n(C)c3=O)cc2)n1 ZINC000741624505 1076570184 /nfs/dbraw/zinc/57/01/84/1076570184.db2.gz GHTLRUFJWSZFCL-UHFFFAOYSA-N 0 0 408.414 2.470 20 0 HEADRN Cc1cc(C)c(N2C[C@H](C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)CC2=O)c(C)c1 ZINC000741630363 1076571607 /nfs/dbraw/zinc/57/16/07/1076571607.db2.gz UXDTVQVHPWAYRP-MOPGFXCFSA-N 0 0 409.534 2.483 20 0 HEADRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Oc1ccc(O[C@H](C)C(N)=O)cc1 ZINC000741632497 1076573048 /nfs/dbraw/zinc/57/30/48/1076573048.db2.gz VFBAFNZTHZQESG-MRXNPFEDSA-N 0 0 423.473 2.297 20 0 HEADRN C[C@@H](Oc1ccc(OC(=O)CCC(=O)N2CCc3sccc3C2)cc1)C(N)=O ZINC000741633403 1076573069 /nfs/dbraw/zinc/57/30/69/1076573069.db2.gz YRDRCTWRDWKEOF-CYBMUJFWSA-N 0 0 402.472 2.271 20 0 HEADRN C[C@H](Oc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)cc1)C(N)=O ZINC000741633882 1076574025 /nfs/dbraw/zinc/57/40/25/1076574025.db2.gz YCYBRAHJZZBWRN-WMLDXEAASA-N 0 0 408.454 2.386 20 0 HEADRN COc1ccc(NC(=O)[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1-n1cnnn1 ZINC000741634515 1076574121 /nfs/dbraw/zinc/57/41/21/1076574121.db2.gz JQSIAYLZGYQVFD-KBPBESRZSA-N 0 0 402.455 2.303 20 0 HEADRN CCN(CC)C(=O)C1=C(C)N(CCc2cccs2)C(=S)N[C@@H]1c1cn(C)nn1 ZINC000741651218 1076575766 /nfs/dbraw/zinc/57/57/66/1076575766.db2.gz BKIWVFCLAGFVES-QGZVFWFLSA-N 0 0 418.592 2.493 20 0 HEADRN CON(C)C(=O)[C@H](CCSC)NC(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1 ZINC000766273237 1076576178 /nfs/dbraw/zinc/57/61/78/1076576178.db2.gz OMZIQPRYILOEER-LRDDRELGSA-N 0 0 413.565 2.383 20 0 HEADRN CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)ccc1Cl ZINC000741651722 1076576493 /nfs/dbraw/zinc/57/64/93/1076576493.db2.gz JMYMIXXWKJYYSA-APHBMKBZSA-N 0 0 416.927 2.455 20 0 HEADRN Cn1cc([C@H]2NC(=S)N(C)C(c3ccccc3)=C2C(=O)Nc2cccnc2)nn1 ZINC000741652806 1076577149 /nfs/dbraw/zinc/57/71/49/1076577149.db2.gz UBUWBTSUHGJNPE-QGZVFWFLSA-N 0 0 405.487 2.121 20 0 HEADRN CC(C)(C)OC(=O)NCc1cc(C(=O)OCCNC(=O)c2ccncc2)ccn1 ZINC000766274854 1076578089 /nfs/dbraw/zinc/57/80/89/1076578089.db2.gz KJCXUOUGLTZEDL-UHFFFAOYSA-N 0 0 400.435 2.088 20 0 HEADRN CC1=C(C(=O)Nc2cccnc2Cl)[C@@H](c2cn(C)nn2)NC(=S)N1C1CC1 ZINC000741656078 1076578495 /nfs/dbraw/zinc/57/84/95/1076578495.db2.gz UCKSECSRIRVBGY-CQSZACIVSA-N 0 0 403.899 2.170 20 0 HEADRN COC(=O)c1ccc(F)c(S(=O)(=O)N2C[C@H](C)C(=O)N(C)c3ccccc32)c1 ZINC000741661440 1076580249 /nfs/dbraw/zinc/58/02/49/1076580249.db2.gz YGNUTJKVKQHHHD-LBPRGKRZSA-N 0 0 406.435 2.420 20 0 HEADRN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000741666106 1076581246 /nfs/dbraw/zinc/58/12/46/1076581246.db2.gz WLGKYRYEUWGNGX-QGZVFWFLSA-N 0 0 405.501 2.347 20 0 HEADRN Cc1cc(C(=O)NCC2(C(N)=O)CCCC2)cc(C)c1OCC(=O)N1CCCCC1 ZINC000741694293 1076582041 /nfs/dbraw/zinc/58/20/41/1076582041.db2.gz XSJLANWGGZWVHE-UHFFFAOYSA-N 0 0 415.534 2.470 20 0 HEADRN CCOC(=O)C(=O)N1CCN(C(=O)c2cc(NC(=O)CC(C)C)ccc2Cl)CC1 ZINC000741695443 1076582084 /nfs/dbraw/zinc/58/20/84/1076582084.db2.gz MJSZQVJMELBIMY-UHFFFAOYSA-N 0 0 423.897 2.172 20 0 HEADRN O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1cc(N2CCOC2=O)ccc1F ZINC000741694696 1076582325 /nfs/dbraw/zinc/58/23/25/1076582325.db2.gz PGBVTLGCPVZUOQ-ZDUSSCGKSA-N 0 0 411.389 2.240 20 0 HEADRN CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1c(F)cc(F)cc1F ZINC000741673256 1076582695 /nfs/dbraw/zinc/58/26/95/1076582695.db2.gz QJOJGCAKTSNUFO-UHFFFAOYSA-N 0 0 415.412 2.255 20 0 HEADRN COc1ccnc(N2CCN(C(=O)[C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)n1 ZINC000741677003 1076583283 /nfs/dbraw/zinc/58/32/83/1076583283.db2.gz RTFGPSJUAJSGDZ-JKSUJKDBSA-N 0 0 419.526 2.217 20 0 HEADRN CCS(=O)(=O)NCc1ccc(C(=O)NCCCN(C)C(=O)OC(C)(C)C)cc1 ZINC000741675594 1076583381 /nfs/dbraw/zinc/58/33/81/1076583381.db2.gz VLHDAVNUGSLWED-UHFFFAOYSA-N 0 0 413.540 2.113 20 0 HEADRN CC(=O)N[C@@H](CC(=O)N1CCN(C(=O)OCC(C)C)CC1)c1ccc(F)cc1F ZINC000741682823 1076584885 /nfs/dbraw/zinc/58/48/85/1076584885.db2.gz SOFUEHSFUBMAEX-SFHVURJKSA-N 0 0 411.449 2.469 20 0 HEADRN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2cc(N3CCOC3=O)ccc2F)c1 ZINC000741683806 1076585221 /nfs/dbraw/zinc/58/52/21/1076585221.db2.gz DLTJSVQVVCIHQB-GFCCVEGCSA-N 0 0 421.450 2.181 20 0 HEADRN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cc(N2CCOC2=O)ccc1F ZINC000741685210 1076585405 /nfs/dbraw/zinc/58/54/05/1076585405.db2.gz RRVVGPSLTTYJFK-LBPRGKRZSA-N 0 0 421.450 2.263 20 0 HEADRN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NCc1nc2cc(F)ccc2n1C ZINC000741685959 1076585526 /nfs/dbraw/zinc/58/55/26/1076585526.db2.gz HSUQXCYPWLKWGW-UHFFFAOYSA-N 0 0 416.478 2.491 20 0 HEADRN CC(C)c1ccc(N2CC[C@@H](C(=O)N(C3CC3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000741685648 1076585545 /nfs/dbraw/zinc/58/55/45/1076585545.db2.gz BKVZGGOVNJZZOE-RTBURBONSA-N 0 0 404.532 2.341 20 0 HEADRN CC/C(=C\C(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1)c1ccc(C)cc1 ZINC000741687069 1076586169 /nfs/dbraw/zinc/58/61/69/1076586169.db2.gz MSEPLRPTNQLHBV-ZMESVYRVSA-N 0 0 401.551 2.474 20 0 HEADRN CC/C(=C/C(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1)c1ccc(C)cc1 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CS(=O)(=O)c1cc(C(=O)N2CCC(c3nnc4ccccn43)CC2)ccc1F ZINC000785723450 1080198716 /nfs/dbraw/zinc/19/87/16/1080198716.db2.gz SMTPDZQCZOHTPA-UHFFFAOYSA-N 0 0 402.451 2.292 20 0 HEADRN CCNC(=O)c1cccc(CNC(=O)CO[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000767880901 1080198840 /nfs/dbraw/zinc/19/88/40/1080198840.db2.gz RBCCLICVOZTQHV-SFHVURJKSA-N 0 0 419.522 2.469 20 0 HEADRN CS(=O)(=O)c1cc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)ccc1F ZINC000785724238 1080200231 /nfs/dbraw/zinc/20/02/31/1080200231.db2.gz VEJYVSXVKVESNG-GOSISDBHSA-N 0 0 406.479 2.033 20 0 HEADRN C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)NC2(CO)CCC2)C[C@H](C)O1 ZINC000767886284 1080202780 /nfs/dbraw/zinc/20/27/80/1080202780.db2.gz HHOHORUZPDQBQA-GJZGRUSLSA-N 0 0 416.547 2.367 20 0 HEADRN COC(=O)c1ccsc1N1CC[C@@H](OC(=O)[C@@H](O)Cc2ccccc2Cl)C1=O ZINC000785729254 1080203353 /nfs/dbraw/zinc/20/33/53/1080203353.db2.gz LAGPAYOPHRBXQO-LSDHHAIUSA-N 0 0 423.874 2.440 20 0 HEADRN O=C(COC(=O)[C@@H](O)Cc1ccccc1Cl)N1CCN(Cc2ccccc2)CC1 ZINC000785729195 1080203366 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C[C@@H](OC(=O)[C@@H](O)Cc1ccccc1Cl)C(=O)N1CC(=O)Nc2ccccc21 ZINC000785739187 1080210230 /nfs/dbraw/zinc/21/02/30/1080210230.db2.gz WWIFWVKQUWFPAU-PXAZEXFGSA-N 0 0 402.834 2.160 20 0 HEADRN O=C(NC1(CO)CC1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl ZINC000767869999 1080210735 /nfs/dbraw/zinc/21/07/35/1080210735.db2.gz OULHPESAFXNZTH-UHFFFAOYSA-N 0 0 420.918 2.342 20 0 HEADRN Cc1c(Br)c(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)nn1C ZINC001129378971 1080212582 /nfs/dbraw/zinc/21/25/82/1080212582.db2.gz FNMPUPCXVHEDKV-SECBINFHSA-N 0 0 411.222 2.022 20 0 HEADRN C[C@H](O)C[C@@H]1COCCN1C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000767874783 1080213493 /nfs/dbraw/zinc/21/34/93/1080213493.db2.gz BAWCAGNZCUOZDQ-WMLDXEAASA-N 0 0 420.510 2.378 20 0 HEADRN COc1cccc(C[C@H](O)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)c1 ZINC000785703639 1080213641 /nfs/dbraw/zinc/21/36/41/1080213641.db2.gz GIFVGYSKOFZNBN-DOXZYTNZSA-N 0 0 401.459 2.416 20 0 HEADRN CCS(=O)(=O)C1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC000767875693 1080214011 /nfs/dbraw/zinc/21/40/11/1080214011.db2.gz YMRFJQCFJBDSND-ZBFHGGJFSA-N 0 0 417.572 2.241 20 0 HEADRN CN(CC1CCOCC1)C(=O)c1cn(CCOc2ccc(C=O)cc2Cl)nn1 ZINC000767915060 1080214441 /nfs/dbraw/zinc/21/44/41/1080214441.db2.gz RIZPVCFWGODPQL-UHFFFAOYSA-N 0 0 406.870 2.322 20 0 HEADRN COC(=O)c1cc(COC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c(C)s1 ZINC000785708845 1080217010 /nfs/dbraw/zinc/21/70/10/1080217010.db2.gz APYDKTACNUOBFP-CVEARBPZSA-N 0 0 407.488 2.328 20 0 HEADRN COCCN(CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000767925644 1080218462 /nfs/dbraw/zinc/21/84/62/1080218462.db2.gz FPZJWNYIOWXNFG-MRXNPFEDSA-N 0 0 405.495 2.039 20 0 HEADRN COCCN(CCNC(=O)c1sc(-c2cnn(C)c2)nc1C)C(=O)OC(C)(C)C ZINC000767926121 1080218998 /nfs/dbraw/zinc/21/89/98/1080218998.db2.gz HLJXYORTYFRROJ-UHFFFAOYSA-N 0 0 423.539 2.465 20 0 HEADRN O=C(COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)Nc1cc(Cl)ccc1F ZINC000785710597 1080219777 /nfs/dbraw/zinc/21/97/77/1080219777.db2.gz 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CS(=O)(=O)c1cccnc1CNC(=O)Nc1cc(N2CCCC2=O)ccc1F ZINC000785713006 1080222183 /nfs/dbraw/zinc/22/21/83/1080222183.db2.gz JCOFNQBTKBXTSB-UHFFFAOYSA-N 0 0 406.439 2.073 20 0 HEADRN COc1cccc(C[C@@H](O)C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)c1 ZINC000785714042 1080222492 /nfs/dbraw/zinc/22/24/92/1080222492.db2.gz IEWQDCWTMYEIFX-QGZVFWFLSA-N 0 0 409.446 2.161 20 0 HEADRN CC(=O)c1ccccc1OCCOC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000785715453 1080223036 /nfs/dbraw/zinc/22/30/36/1080223036.db2.gz AIUAFEJZDZNMPP-OALUTQOASA-N 0 0 401.459 2.252 20 0 HEADRN CN(c1nc(COC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cs1)C1CC1 ZINC000785715224 1080223104 /nfs/dbraw/zinc/22/31/04/1080223104.db2.gz NKYPDGBEBDWCQJ-SJORKVTESA-N 0 0 405.520 2.226 20 0 HEADRN C[C@H](OC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)C(=O)Nc1c(F)cccc1F ZINC000785716321 1080223809 /nfs/dbraw/zinc/22/38/09/1080223809.db2.gz CPZZMCCHFXRZHX-KKUMJFAQSA-N 0 0 422.428 2.276 20 0 HEADRN CC(=O)c1ccc(O)c(CCOC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 ZINC000785715847 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CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2ncnn2C)cc1 ZINC000768809880 1080787311 /nfs/dbraw/zinc/78/73/11/1080787311.db2.gz AYPPSCLPMGLEPJ-UHFFFAOYSA-N 0 0 400.460 2.387 20 0 HEADRN C[C@@H]1[C@@H](C(=O)N[C@@H]2CCCc3[nH]c(=O)c(C(N)=O)cc32)CCN1C(=O)OC(C)(C)C ZINC000786738760 1080787258 /nfs/dbraw/zinc/78/72/58/1080787258.db2.gz LIAQVISWPKOGPP-TYNCELHUSA-N 0 0 418.494 2.025 20 0 HEADRN O=C(CCCNC(=O)NC1CCCCC1)OC[C@@H]1CNC(c2ccccc2)=NO1 ZINC000768810669 1080787704 /nfs/dbraw/zinc/78/77/04/1080787704.db2.gz QFYQVBBBQWVYIP-SFHVURJKSA-N 0 0 402.495 2.292 20 0 HEADRN C[C@@H]1Oc2ccccc2N(CCC(=O)OC[C@H]2CNC(c3ccccc3)=NO2)C1=O ZINC000768812026 1080788351 /nfs/dbraw/zinc/78/83/51/1080788351.db2.gz SUYLNPBJUNELHX-DOTOQJQBSA-N 0 0 409.442 2.084 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N(C)Cc2ncc(C)c(OC)c2C)n1 ZINC000786739556 1080788616 /nfs/dbraw/zinc/78/86/16/1080788616.db2.gz NKCARHGQBOECRM-UHFFFAOYSA-N 0 0 423.539 2.311 20 0 HEADRN Cc1ccc(CN2C[C@@H](C(=O)OC[C@H]3CNC(c4ccccc4)=NO3)CC2=O)cc1 ZINC000768813553 1080788686 /nfs/dbraw/zinc/78/86/86/1080788686.db2.gz VKBAHHLSVXELDY-VQTJNVASSA-N 0 0 407.470 2.237 20 0 HEADRN Cn1nccc1CCOC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000768811734 1080788703 /nfs/dbraw/zinc/78/87/03/1080788703.db2.gz RQMAOGNOTOGJFB-UHFFFAOYSA-N 0 0 419.425 2.283 20 0 HEADRN Cn1ncnc1COC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000768813057 1080788842 /nfs/dbraw/zinc/78/88/42/1080788842.db2.gz MAXKLJJPAUTMAK-LBPRGKRZSA-N 0 0 412.233 2.070 20 0 HEADRN CC(C)(C)OC(=O)N1CC(OC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)C1 ZINC000768772551 1080789854 /nfs/dbraw/zinc/78/98/54/1080789854.db2.gz BPLHVZORHRQQGU-HXUWFJFHSA-N 0 0 409.483 2.040 20 0 HEADRN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CSc3cc(C)cc(C)n3)C2=O)c1 ZINC000786744749 1080790557 /nfs/dbraw/zinc/79/05/57/1080790557.db2.gz WTIIFEWRTSOKON-HXUWFJFHSA-N 0 0 414.487 2.298 20 0 HEADRN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H]2CCC[C@@H](OC)C2)c1 ZINC000768773908 1080790735 /nfs/dbraw/zinc/79/07/35/1080790735.db2.gz XNXMHTORNRWATD-OLZOCXBDSA-N 0 0 405.900 2.379 20 0 HEADRN CCOC(=O)c1csc(CCNC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)n1 ZINC000786746309 1080791003 /nfs/dbraw/zinc/79/10/03/1080791003.db2.gz VOWBBGGTCSHXIF-GFCCVEGCSA-N 0 0 416.503 2.442 20 0 HEADRN CCN1C(=S)N=NC1CCNC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O ZINC000746600979 1080791416 /nfs/dbraw/zinc/79/14/16/1080791416.db2.gz DNDDHTHXDSPJIR-UHFFFAOYSA-N 0 0 415.441 2.213 20 0 HEADRN CC(=O)[C@@H](Cc1ccc(F)cc1F)OC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000768774965 1080791689 /nfs/dbraw/zinc/79/16/89/1080791689.db2.gz PGNCFZJGWBFLPE-DYESRHJHSA-N 0 0 416.380 2.377 20 0 HEADRN Cc1cccc2[nH]cc(CCNC(=O)C(=O)NCCCNC(=O)OC(C)(C)C)c21 ZINC000786745660 1080791761 /nfs/dbraw/zinc/79/17/61/1080791761.db2.gz AKXCLKQIBVUPOS-UHFFFAOYSA-N 0 0 402.495 2.166 20 0 HEADRN CC(C)(C)OC(=O)N1CCOC[C@@H]1C(N)=NOCCOCC(F)(F)C(F)F ZINC000786748143 1080792470 /nfs/dbraw/zinc/79/24/70/1080792470.db2.gz BKQNNCMMVLERSJ-SNVBAGLBSA-N 0 0 403.373 2.038 20 0 HEADRN CC1(C)C(=O)Nc2ccc(C(=O)N(CCCO)S(=O)(=O)c3cccs3)cc21 ZINC000768780463 1080794034 /nfs/dbraw/zinc/79/40/34/1080794034.db2.gz YXERJBLGLPAIMZ-UHFFFAOYSA-N 0 0 408.501 2.191 20 0 HEADRN CCNS(=O)(=O)CCNC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000746601501 1080794074 /nfs/dbraw/zinc/79/40/74/1080794074.db2.gz MGDYZRWQYNQUQY-UHFFFAOYSA-N 0 0 407.439 2.498 20 0 HEADRN O=C(NCc1ccc(F)cc1C(F)(F)F)C(=O)N1CCCC[C@H]1C1OCCO1 ZINC000786751822 1080794411 /nfs/dbraw/zinc/79/44/11/1080794411.db2.gz JWPAUEZTUKXVLH-AWEZNQCLSA-N 0 0 404.360 2.215 20 0 HEADRN C[C@@H](NC(=O)N1C[C@H](O)CC(F)(F)C1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000786754538 1080795442 /nfs/dbraw/zinc/79/54/42/1080795442.db2.gz VELFLUYJQDQJIH-IUODEOHRSA-N 0 0 401.429 2.259 20 0 HEADRN C[C@H](NC(=O)N1C[C@H](O)CC(F)(F)C1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000786754542 1080795478 /nfs/dbraw/zinc/79/54/78/1080795478.db2.gz VELFLUYJQDQJIH-SWLSCSKDSA-N 0 0 401.429 2.259 20 0 HEADRN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cccc3c[nH]nc32)c1 ZINC000768785308 1080796959 /nfs/dbraw/zinc/79/69/59/1080796959.db2.gz GCTSCJKOSVMAQL-UHFFFAOYSA-N 0 0 423.878 2.498 20 0 HEADRN COc1ccc([C@H](C)NC(=O)C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000786757493 1080797292 /nfs/dbraw/zinc/79/72/92/1080797292.db2.gz BVCWGPRMMLRUDE-JXFKEZNVSA-N 0 0 409.486 2.132 20 0 HEADRN COc1ccc([C@@H](C)NC(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000786757530 1080797323 /nfs/dbraw/zinc/79/73/23/1080797323.db2.gz CAGZSJKNDQZDQF-CQSZACIVSA-N 0 0 405.495 2.388 20 0 HEADRN Cn1c(CNC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)nc2cc(F)ccc21 ZINC000746601779 1080797614 /nfs/dbraw/zinc/79/76/14/1080797614.db2.gz QCXRBAJUKFYHBJ-UHFFFAOYSA-N 0 0 412.469 2.288 20 0 HEADRN CCNS(=O)(=O)CCNC(=O)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000786756968 1080797629 /nfs/dbraw/zinc/79/76/29/1080797629.db2.gz BAOLGWNBAWSPPY-NSHDSACASA-N 0 0 412.339 2.341 20 0 HEADRN COc1cccc([C@H](C)NC(=O)C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000786756747 1080797714 /nfs/dbraw/zinc/79/77/14/1080797714.db2.gz ADEUDDRMVGQHSE-GJZGRUSLSA-N 0 0 405.495 2.246 20 0 HEADRN O=C(OCc1ccc2c[nH]nc2c1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000768789305 1080798661 /nfs/dbraw/zinc/79/86/61/1080798661.db2.gz CHIPTHRYZWRXTL-KRWDZBQOSA-N 0 0 415.471 2.377 20 0 HEADRN COc1ccc([C@@H](C)NC(=O)C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000786758380 1080799575 /nfs/dbraw/zinc/79/95/75/1080799575.db2.gz FLMKNQGWIWBCHE-CABCVRRESA-N 0 0 405.495 2.246 20 0 HEADRN CCOc1ccc([C@@H]2CCCN2C(=O)C(=O)NCCNC(=O)OC(C)(C)C)cc1 ZINC000786720658 1080799641 /nfs/dbraw/zinc/79/96/41/1080799641.db2.gz RLPWPTIZSUARQS-KRWDZBQOSA-N 0 0 405.495 2.390 20 0 HEADRN CC(C)(C)OC(=O)NCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000786720791 1080799725 /nfs/dbraw/zinc/79/97/25/1080799725.db2.gz FRUDPHQSWNQLJW-CQSZACIVSA-N 0 0 424.929 2.066 20 0 HEADRN CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1coc(C2CCOCC2)n1 ZINC000786721823 1080800125 /nfs/dbraw/zinc/80/01/25/1080800125.db2.gz XPNPEUCOMKVLCH-KRWDZBQOSA-N 0 0 400.431 2.042 20 0 HEADRN O=C1NC2(CCCC2)C(=O)N1CCCNS(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000768793089 1080800509 /nfs/dbraw/zinc/80/05/09/1080800509.db2.gz ILLXIZZFLFKBKD-KPKJPENVSA-N 0 0 411.911 2.485 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)NC[C@H]2CCCO[C@@H]2C(C)C)n1 ZINC000786723288 1080800519 /nfs/dbraw/zinc/80/05/19/1080800519.db2.gz PQMVKDYFEVOMHO-HZPDHXFCSA-N 0 0 400.545 2.199 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)NCCOc2cccc(Cl)c2)n1 ZINC000786723167 1080801057 /nfs/dbraw/zinc/80/10/57/1080801057.db2.gz JRVNYMOWVQBQSI-UHFFFAOYSA-N 0 0 414.915 2.480 20 0 HEADRN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)OCc1ccc2c[nH]nc2c1 ZINC000768792740 1080801118 /nfs/dbraw/zinc/80/11/18/1080801118.db2.gz AWRSYJGIXUHSDI-UHFFFAOYSA-N 0 0 402.428 2.241 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)NC2CCC(OC(C)C)CC2)n1 ZINC000786722556 1080801559 /nfs/dbraw/zinc/80/15/59/1080801559.db2.gz ZXHSFBOTLNGHAF-UHFFFAOYSA-N 0 0 400.545 2.484 20 0 HEADRN COc1cccc([C@H](C)NC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000786760198 1080802629 /nfs/dbraw/zinc/80/26/29/1080802629.db2.gz LUOSFGOLKXRRMW-CABCVRRESA-N 0 0 405.495 2.340 20 0 HEADRN C[C@@]1(c2ccc(Br)s2)NC(=O)N(CC(=O)[C@@H]2CCCOC2)C1=O ZINC000768798514 1080802732 /nfs/dbraw/zinc/80/27/32/1080802732.db2.gz PTNDTFPPNPUJGO-PSLIRLAXSA-N 0 0 401.282 2.273 20 0 HEADRN COc1ccc([C@H](C)NC(=O)C(=O)NCc2c(OC)cc(OC)cc2OC)cc1 ZINC000786760003 1080803068 /nfs/dbraw/zinc/80/30/68/1080803068.db2.gz JZBMODMXNIKXJX-ZDUSSCGKSA-N 0 0 402.447 2.215 20 0 HEADRN COc1ccc([C@@H](C)NC(=O)C(=O)NCc2c(OC)cc(OC)cc2OC)cc1 ZINC000786760002 1080803118 /nfs/dbraw/zinc/80/31/18/1080803118.db2.gz JZBMODMXNIKXJX-CYBMUJFWSA-N 0 0 402.447 2.215 20 0 HEADRN CCOCCN1CCN(C(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)CC1 ZINC000746603603 1080803656 /nfs/dbraw/zinc/80/36/56/1080803656.db2.gz JACZYLZYECDWEV-UHFFFAOYSA-N 0 0 401.429 2.135 20 0 HEADRN Cc1cc(CCNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc(C)c1O ZINC000786761014 1080804097 /nfs/dbraw/zinc/80/40/97/1080804097.db2.gz JTYQHSJVGZNQTF-UHFFFAOYSA-N 0 0 419.494 2.115 20 0 HEADRN COc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000786762487 1080804528 /nfs/dbraw/zinc/80/45/28/1080804528.db2.gz SSHPWQXXCTUJJE-GOEBONIOSA-N 0 0 405.495 2.388 20 0 HEADRN COc1cc([C@H](C)NC(=O)c2cnn(-c3ccc(F)cc3)n2)ccc1OCCO ZINC000768851445 1080805040 /nfs/dbraw/zinc/80/50/40/1080805040.db2.gz KOOVUSNBPRUMNS-ZDUSSCGKSA-N 0 0 400.410 2.277 20 0 HEADRN CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N[C@H](C)c2cccc(OC)c2)CC1 ZINC000786763064 1080806046 /nfs/dbraw/zinc/80/60/46/1080806046.db2.gz WKUSXJABODBMIP-HUUCEWRRSA-N 0 0 405.495 2.246 20 0 HEADRN C[C@H]1Cc2cc(C(=O)Oc3ccc4c(c3)CN(C)C4=O)ccc2N1S(C)(=O)=O ZINC000768856669 1080807117 /nfs/dbraw/zinc/80/71/17/1080807117.db2.gz KUBFFDWMOGQNCA-LBPRGKRZSA-N 0 0 400.456 2.202 20 0 HEADRN COc1ccc(C(C)=O)c(OS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)c1 ZINC000746605193 1080807130 /nfs/dbraw/zinc/80/71/30/1080807130.db2.gz PYQKGMGPEGZBIV-UHFFFAOYSA-N 0 0 417.443 2.373 20 0 HEADRN O=C(N[C@@H](CCO)c1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000768855970 1080807584 /nfs/dbraw/zinc/80/75/84/1080807584.db2.gz MCFRSTBIEBWHMK-SFHVURJKSA-N 0 0 406.479 2.464 20 0 HEADRN COc1ccc(C2(C(=O)OCc3nnnn3CC3CCOCC3)CCC2)cc1OC ZINC000768857611 1080807604 /nfs/dbraw/zinc/80/76/04/1080807604.db2.gz DNPBBBIKNVYOIC-UHFFFAOYSA-N 0 0 416.478 2.282 20 0 HEADRN CC(C)N1C(=O)c2ccc(C(=O)N[C@@H](CCO)c3ccccc3)cc2S1(=O)=O ZINC000768855923 1080807628 /nfs/dbraw/zinc/80/76/28/1080807628.db2.gz KGYZQRZWLMNIBJ-KRWDZBQOSA-N 0 0 402.472 2.093 20 0 HEADRN C[C@@H](CS(C)(=O)=O)NC(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000786764853 1080807613 /nfs/dbraw/zinc/80/76/13/1080807613.db2.gz UVATUKIMOJUAGM-QFBILLFUSA-N 0 0 418.515 2.246 20 0 HEADRN O=C(CNS(=O)(=O)/C=C\c1cccc(Cl)c1)Nc1ccc(-n2cncn2)cc1 ZINC000768857271 1080808267 /nfs/dbraw/zinc/80/82/67/1080808267.db2.gz IDXMADGQKBPYJU-HJWRWDBZSA-N 0 0 417.878 2.450 20 0 HEADRN CNS(=O)(=O)c1cc(NC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)ccc1C ZINC000768858815 1080808758 /nfs/dbraw/zinc/80/87/58/1080808758.db2.gz MXYWYVUUHQYEOM-UHFFFAOYSA-N 0 0 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ZINC000768820248 1080811438 /nfs/dbraw/zinc/81/14/38/1080811438.db2.gz KBRVPGYWJDKIDE-UHFFFAOYSA-N 0 0 416.459 2.006 20 0 HEADRN CC(=O)[C@H](Cc1c(F)cccc1F)OC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000768823201 1080812535 /nfs/dbraw/zinc/81/25/35/1080812535.db2.gz NYRQMMDTIHMUTB-LIRRHRJNSA-N 0 0 402.397 2.452 20 0 HEADRN CC(=O)[C@@H](Cc1c(F)cccc1F)OC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000768823195 1080812555 /nfs/dbraw/zinc/81/25/55/1080812555.db2.gz NYRQMMDTIHMUTB-IFXJQAMLSA-N 0 0 402.397 2.452 20 0 HEADRN COc1cccc([C@@H](C)NC(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000786770900 1080812833 /nfs/dbraw/zinc/81/28/33/1080812833.db2.gz TVNFFBXBSRKCTF-CQSZACIVSA-N 0 0 405.495 2.388 20 0 HEADRN CCOC(CCNC(=O)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1)OCC ZINC000786772049 1080813365 /nfs/dbraw/zinc/81/33/65/1080813365.db2.gz IMDAOEFDSORYKW-HNNXBMFYSA-N 0 0 411.930 2.330 20 0 HEADRN CC[C@H](COC)NC(=O)C(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000786771909 1080813460 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/nfs/dbraw/zinc/55/16/50/1078551650.db2.gz PIAUTRQNRDZPKE-UHFFFAOYSA-N 0 0 401.810 2.179 20 0 HEADRN Cc1cc2cc(C(=O)OCC(=O)Nc3ccccc3S(N)(=O)=O)oc2cc1C ZINC000745580319 1078551702 /nfs/dbraw/zinc/55/17/02/1078551702.db2.gz KQPQQJXQEPIZHU-UHFFFAOYSA-N 0 0 402.428 2.493 20 0 HEADRN CNC(=O)c1cccc(CNC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000745583623 1078552653 /nfs/dbraw/zinc/55/26/53/1078552653.db2.gz DWPCFVKOLSBTNS-UHFFFAOYSA-N 0 0 408.458 2.271 20 0 HEADRN COc1ccc(C(=O)OCCCn2cnc3c2ncnc3N)cc1Br ZINC000745550198 1078544744 /nfs/dbraw/zinc/54/47/44/1078544744.db2.gz JJJRAKONXHPYIZ-UHFFFAOYSA-N 0 0 406.240 2.427 20 0 HEADRN COc1ccc(-c2ncc(C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC3CC3)s2)cc1 ZINC000745558427 1078546477 /nfs/dbraw/zinc/54/64/77/1078546477.db2.gz NHLYOFJWABXLSL-GFCCVEGCSA-N 0 0 417.487 2.101 20 0 HEADRN CCOC(=O)c1n[nH]c(C2CCN(C(=O)CN(C(=O)OC(C)(C)C)C3CC3)CC2)n1 ZINC000769768278 1078546901 /nfs/dbraw/zinc/54/69/01/1078546901.db2.gz FYVDHAWSGGTCCO-UHFFFAOYSA-N 0 0 421.498 2.087 20 0 HEADRN Cn1ccnc1[C@@H]1CCCN(C(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)C1 ZINC000769770462 1078547915 /nfs/dbraw/zinc/54/79/15/1078547915.db2.gz NNYXFTQQFPIWEU-GFCCVEGCSA-N 0 0 424.473 2.159 20 0 HEADRN CS(=O)(=O)CC1(CC(=O)OCCNC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000769770009 1078547937 /nfs/dbraw/zinc/54/79/37/1078547937.db2.gz IAQNKYDMNUQMFD-UHFFFAOYSA-N 0 0 407.410 2.193 20 0 HEADRN CC(=O)Nc1ccc(NC(=O)COC(=O)c2nccnc2NC(=O)C(C)(C)C)cc1 ZINC000745561952 1078548267 /nfs/dbraw/zinc/54/82/67/1078548267.db2.gz KZVZRCSRNLSBJZ-UHFFFAOYSA-N 0 0 413.434 2.215 20 0 HEADRN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 ZINC000745588198 1078548315 /nfs/dbraw/zinc/54/83/15/1078548315.db2.gz CHUDSQZOUQIWTB-AEFFLSMTSA-N 0 0 412.490 2.407 20 0 HEADRN COC(=O)C1CCN(C(=O)COC(=O)c2ccc(F)c(Br)c2)CC1 ZINC000745574986 1078549686 /nfs/dbraw/zinc/54/96/86/1078549686.db2.gz QCUGHIWMQOGSFS-UHFFFAOYSA-N 0 0 402.216 2.157 20 0 HEADRN COc1cccc([C@H](O)C2CCN(C(=O)[C@@H]3CC[C@H](C(F)(F)F)NC3=O)CC2)c1 ZINC001170010292 1078553262 /nfs/dbraw/zinc/55/32/62/1078553262.db2.gz VCFNQFORRDOKBE-BRWVUGGUSA-N 0 0 414.424 2.424 20 0 HEADRN CC(C)[C@@H](OC(=O)c1cccc(-c2cscn2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000745608031 1078554091 /nfs/dbraw/zinc/55/40/91/1078554091.db2.gz CGXURZRSRGCPAH-NVXWUHKLSA-N 0 0 422.528 2.295 20 0 HEADRN CC(C)(C)OC(=O)N(CCCNC(=O)N1CCC[C@H]1CN1CCOCC1)C1CC1 ZINC000745608672 1078554350 /nfs/dbraw/zinc/55/43/50/1078554350.db2.gz KMLMYWWJKOACDO-SFHVURJKSA-N 0 0 410.559 2.282 20 0 HEADRN Cc1nn(C)c(C)c1NC(=O)COC(=O)COc1ccc(C=O)cc1Br ZINC000745589510 1078555266 /nfs/dbraw/zinc/55/52/66/1078555266.db2.gz PFXMDTYGFFHAAO-UHFFFAOYSA-N 0 0 424.251 2.173 20 0 HEADRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OCc2nnnn2Cc2ccccc2)cc1 ZINC000745591233 1078555796 /nfs/dbraw/zinc/55/57/96/1078555796.db2.gz AFRQSFBYQHFHHM-LJQANCHMSA-N 0 0 405.458 2.264 20 0 HEADRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)OCC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)cc1 ZINC000745592700 1078556564 /nfs/dbraw/zinc/55/65/64/1078556564.db2.gz NNJYKOLCVNMMDL-LPHOPBHVSA-N 0 0 424.501 2.257 20 0 HEADRN CC(C)COC(=O)N1CCCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769746709 1078557496 /nfs/dbraw/zinc/55/74/96/1078557496.db2.gz MOWAQRVWYOQQGR-UHFFFAOYSA-N 0 0 424.299 2.432 20 0 HEADRN O=C(COC(=O)[C@H]1CCc2c[nH]nc2C1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000745628903 1078564411 /nfs/dbraw/zinc/56/44/11/1078564411.db2.gz YFVFZLIUGAMICP-YJBOKZPZSA-N 0 0 411.458 2.193 20 0 HEADRN C[C@H](NC(=O)COC(=O)COc1cc(Cl)cc(Cl)c1)C(=O)N1CCCCC1 ZINC000745600484 1078558252 /nfs/dbraw/zinc/55/82/52/1078558252.db2.gz FZESBIPNNNQGGJ-LBPRGKRZSA-N 0 0 417.289 2.433 20 0 HEADRN COc1cc(C(=O)O[C@H](C)C(=O)NC[C@H]2CCCO2)cc(OC)c1OC(F)F ZINC000745604386 1078558823 /nfs/dbraw/zinc/55/88/23/1078558823.db2.gz KFSHVBWLWKYRMO-ZYHUDNBSSA-N 0 0 403.378 2.146 20 0 HEADRN C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nccn2c(Br)cnc12 ZINC000769749080 1078558865 /nfs/dbraw/zinc/55/88/65/1078558865.db2.gz NJLDJSHFFNWIDI-SNVBAGLBSA-N 0 0 412.288 2.382 20 0 HEADRN C[C@H](OC(=O)c1cccc(-c2cscn2)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000745605283 1078559182 /nfs/dbraw/zinc/55/91/82/1078559182.db2.gz CGUIXUUOUFPQGM-SWLSCSKDSA-N 0 0 408.501 2.001 20 0 HEADRN Cn1cc(N2CCC[C@@H](NC(=O)NCCCN(C(=O)OC(C)(C)C)C3CC3)C2)cn1 ZINC000745607139 1078559614 /nfs/dbraw/zinc/55/96/14/1078559614.db2.gz DHHOJDICNWYLDB-MRXNPFEDSA-N 0 0 420.558 2.478 20 0 HEADRN COc1cc(C(=O)OCC(=O)Nc2c(C)nn(C)c2C)cc(OC)c1OC(F)F ZINC000745606307 1078559651 /nfs/dbraw/zinc/55/96/51/1078559651.db2.gz KXKWCJAUEMVIAM-UHFFFAOYSA-N 0 0 413.377 2.451 20 0 HEADRN COc1cc(NC(=O)COC(=O)C2(N3CCOCC3)CCC2)c(OC)cc1Cl ZINC000769818903 1078560729 /nfs/dbraw/zinc/56/07/29/1078560729.db2.gz SYAAHZPBZPKVBH-UHFFFAOYSA-N 0 0 412.870 2.094 20 0 HEADRN COc1cc(OC)c(NC(=O)COC(=O)C2(N3CCOCC3)CCC2)cc1Cl ZINC000769819611 1078560780 /nfs/dbraw/zinc/56/07/80/1078560780.db2.gz YADNVGXWHWUJOE-UHFFFAOYSA-N 0 0 412.870 2.094 20 0 HEADRN C[C@@H](OC(=O)[C@H](C)C(F)(F)F)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000745618939 1078561311 /nfs/dbraw/zinc/56/13/11/1078561311.db2.gz IPPIBAHACYKKIB-UONOGXRCSA-N 0 0 402.413 2.265 20 0 HEADRN C[C@@H]1CN(c2ccc(NC(=O)COC(=O)[C@@H]3CCc4c[nH]nc4C3)cc2)C[C@H](C)O1 ZINC000745627926 1078564092 /nfs/dbraw/zinc/56/40/92/1078564092.db2.gz UMFKJLDWASGNGU-OWCLPIDISA-N 0 0 412.490 2.310 20 0 HEADRN CCCCCNC(=O)COC(=O)c1ccc(OC)c(I)n1 ZINC000769823497 1078561732 /nfs/dbraw/zinc/56/17/32/1078561732.db2.gz BJJWESBRSTZCSW-UHFFFAOYSA-N 0 0 406.220 2.158 20 0 HEADRN Cc1cc(C(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2O)c(Cl)cc1F ZINC000769785295 1078564406 /nfs/dbraw/zinc/56/44/06/1078564406.db2.gz REZYIIDFFTXIFX-UHFFFAOYSA-N 0 0 401.799 2.180 20 0 HEADRN Cc1cc(N2CC[C@H](OC(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)C2=O)n(C)n1 ZINC000745630754 1078564777 /nfs/dbraw/zinc/56/47/77/1078564777.db2.gz ASFCZUDKNCNVPU-AWEZNQCLSA-N 0 0 418.450 2.309 20 0 HEADRN O=C(COC(=O)[C@@H]1CCc2c[nH]nc2C1)NCCOc1cccc(C(F)(F)F)c1 ZINC000745630496 1078564818 /nfs/dbraw/zinc/56/48/18/1078564818.db2.gz ZTRSESYNKQRUJL-GFCCVEGCSA-N 0 0 411.380 2.272 20 0 HEADRN Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3cc(S(N)(=O)=O)ccc3O)o2)c1 ZINC000769784790 1078564858 /nfs/dbraw/zinc/56/48/58/1078564858.db2.gz PBNIOQODVAONTC-LLVKDONJSA-N 0 0 403.416 2.316 20 0 HEADRN NS(=O)(=O)c1ccc(O)c(C(=O)OCc2ccc(Br)c(F)c2)c1 ZINC000769784953 1078564920 /nfs/dbraw/zinc/56/49/20/1078564920.db2.gz PEJKAQNVUXQUDR-UHFFFAOYSA-N 0 0 404.213 2.298 20 0 HEADRN COc1cc(-c2nnc(COC(=O)[C@H]3CCc4c[nH]nc4C3)o2)cc(OC)c1OC ZINC000745629935 1078564933 /nfs/dbraw/zinc/56/49/33/1078564933.db2.gz UYFATUIZHKXBAD-NSHDSACASA-N 0 0 414.418 2.334 20 0 HEADRN C[C@@H](NCc1nnnn1CC1CCOCC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000769785849 1078565263 /nfs/dbraw/zinc/56/52/63/1078565263.db2.gz GOPRFKVIWNBGIO-OAHLLOKOSA-N 0 0 418.517 2.051 20 0 HEADRN CCOC(=O)c1n[nH]c(C2CCN(C(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC2)n1 ZINC000769787035 1078565822 /nfs/dbraw/zinc/56/58/22/1078565822.db2.gz OEIYCHKCBACMQJ-OLZOCXBDSA-N 0 0 423.514 2.237 20 0 HEADRN C[C@@H](OC(=O)c1cc(S(N)(=O)=O)ccc1O)C(=O)c1ccc(OC(F)F)cc1 ZINC000769787968 1078566780 /nfs/dbraw/zinc/56/67/80/1078566780.db2.gz DRVZLUOUVUGXRC-SECBINFHSA-N 0 0 415.370 2.069 20 0 HEADRN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1O ZINC000769787875 1078566871 /nfs/dbraw/zinc/56/68/71/1078566871.db2.gz DBABOOZXUFTTST-CQSZACIVSA-N 0 0 420.487 2.022 20 0 HEADRN NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000769792722 1078567778 /nfs/dbraw/zinc/56/77/78/1078567778.db2.gz RRJGFYKFBGSCQK-UHFFFAOYSA-N 0 0 419.242 2.142 20 0 HEADRN C[C@H]1CN(C(=O)COC(=O)c2ccccc2SCC(=O)N2CCCC2)C[C@H](C)O1 ZINC000769795099 1078568166 /nfs/dbraw/zinc/56/81/66/1078568166.db2.gz VHROSFGVRZDSCY-HOTGVXAUSA-N 0 0 420.531 2.194 20 0 HEADRN C[C@H](O)CC(C)(C)CNC(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000745617317 1078568889 /nfs/dbraw/zinc/56/88/89/1078568889.db2.gz QCAJCPGYSNIKLP-INIZCTEOSA-N 0 0 400.564 2.026 20 0 HEADRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3nnnn3CC3CCOCC3)C[C@H]21 ZINC000769797144 1078569144 /nfs/dbraw/zinc/56/91/44/1078569144.db2.gz TWBHNIZLCCLCIB-RCCFBDPRSA-N 0 0 420.558 2.225 20 0 HEADRN O=C1C(=O)N(CN2CCSC[C@H]2c2nccs2)C(=O)N1CCc1cccs1 ZINC000769798444 1078569164 /nfs/dbraw/zinc/56/91/64/1078569164.db2.gz LJRVQVYYKQCVIL-ZDUSSCGKSA-N 0 0 422.557 2.286 20 0 HEADRN O=C(CCC1CCOCC1)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000745656915 1078569480 /nfs/dbraw/zinc/56/94/80/1078569480.db2.gz BZVUVYRPYJYYFH-UHFFFAOYSA-N 0 0 403.479 2.113 20 0 HEADRN CC(C)OC[C@@H]1CN(CN2c3cc(OC(F)(F)F)ccc3C(=O)C2=O)CCO1 ZINC000769800377 1078569580 /nfs/dbraw/zinc/56/95/80/1078569580.db2.gz UYNKJCATAHHZHH-ZDUSSCGKSA-N 0 0 402.369 2.198 20 0 HEADRN CC1(C)C[C@]2(NC(=O)N(CN3CCSC[C@@H]3c3nccs3)C2=O)C(C)(C)O1 ZINC000769798749 1078569584 /nfs/dbraw/zinc/56/95/84/1078569584.db2.gz NVYNBGDZPZROCM-KZULUSFZSA-N 0 0 410.565 2.459 20 0 HEADRN O=C(COC(=O)[C@@H]1SCCc2sccc21)N1CCC(C(=O)N2CCCC2)CC1 ZINC000745639326 1078570220 /nfs/dbraw/zinc/57/02/20/1078570220.db2.gz YQZBWKGHEYGXBX-GOSISDBHSA-N 0 0 422.572 2.483 20 0 HEADRN Cc1ccc(NC(=O)NC(=O)COC(=O)CNC(=O)c2cc3ccccc3[nH]2)c(C)c1 ZINC000745640797 1078571190 /nfs/dbraw/zinc/57/11/90/1078571190.db2.gz KZNLGTGRXBAGNQ-UHFFFAOYSA-N 0 0 422.441 2.406 20 0 HEADRN C[C@@H](C(=O)OCC(=O)NCCCN1CCCC1=O)c1ccc(Br)s1 ZINC000745642440 1078571834 /nfs/dbraw/zinc/57/18/34/1078571834.db2.gz IMCXJUGJBMWJOE-LLVKDONJSA-N 0 0 417.325 2.286 20 0 HEADRN C[C@H](OC(=O)CNC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000745641737 1078572153 /nfs/dbraw/zinc/57/21/53/1078572153.db2.gz DSQOXBNUJCMJHX-LBPRGKRZSA-N 0 0 409.398 2.197 20 0 HEADRN COC(=O)c1c(NC(=O)COC(=O)C2(O)CCSCC2)sc2c1CCCC2 ZINC000769809829 1078572230 /nfs/dbraw/zinc/57/22/30/1078572230.db2.gz HESLSGOEQKQBCU-UHFFFAOYSA-N 0 0 413.517 2.153 20 0 HEADRN Cc1ccc(CNC(=O)c2nnc(COC(=O)C3(O)CCSCC3)s2)cc1 ZINC000769810733 1078572831 /nfs/dbraw/zinc/57/28/31/1078572831.db2.gz MYQWDCSXVAXZJG-UHFFFAOYSA-N 0 0 407.517 2.078 20 0 HEADRN COC(=O)Nc1ccc(C(=O)OCC(=O)N[C@H](Cc2ccccc2)C(C)=O)cc1O ZINC000745650867 1078576216 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ZINC000742830070 1076887346 /nfs/dbraw/zinc/88/73/46/1076887346.db2.gz DGGVIYBUUIUYFW-INIZCTEOSA-N 0 0 401.536 2.307 20 0 HEADRN COc1cc(C(=O)Nc2cccc(Cl)c2C(N)=O)cc(Cl)c1OCC(N)=O ZINC000742832109 1076887547 /nfs/dbraw/zinc/88/75/47/1076887547.db2.gz WSOIORMZOUWRAT-UHFFFAOYSA-N 0 0 412.229 2.217 20 0 HEADRN C[C@@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)Oc1ccc(Br)cc1 ZINC000742875329 1076888205 /nfs/dbraw/zinc/88/82/05/1076888205.db2.gz HXPLNYHGCHAECQ-SMDDNHRTSA-N 0 0 422.366 2.253 20 0 HEADRN COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCC2(CCCC2)C1 ZINC000742878349 1076888307 /nfs/dbraw/zinc/88/83/07/1076888307.db2.gz QOAYYZZQXATBKJ-KRWDZBQOSA-N 0 0 422.547 2.021 20 0 HEADRN CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c1 ZINC000742881957 1076888647 /nfs/dbraw/zinc/88/86/47/1076888647.db2.gz CUSCAUTWWSLKCA-OAHLLOKOSA-N 0 0 411.524 2.066 20 0 HEADRN Cc1nsc(N2CCCN(C(=O)[C@H](C)NC(=O)OCc3ccccc3)CC2)n1 ZINC000742850825 1076889061 /nfs/dbraw/zinc/88/90/61/1076889061.db2.gz 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CS(=O)(=O)Nc1cccc(CNS(=O)(=O)C2=Cc3ccccc3OCC2)c1 ZINC000772373596 1079852297 /nfs/dbraw/zinc/85/22/97/1079852297.db2.gz ZGRANDDAMLWJHB-UHFFFAOYSA-N 0 0 408.501 2.301 20 0 HEADRN C[C@H](OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)N(C)Cc1cccc(F)c1 ZINC000767445690 1079853334 /nfs/dbraw/zinc/85/33/34/1079853334.db2.gz JXRRSJVKCGLZFP-WMLDXEAASA-N 0 0 424.469 2.352 20 0 HEADRN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)OCC(=O)Nc2c(F)cccc2F)C1 ZINC000767445403 1079853347 /nfs/dbraw/zinc/85/33/47/1079853347.db2.gz UBKOXYVEXGGTNU-CYBMUJFWSA-N 0 0 400.378 2.082 20 0 HEADRN COc1cc(OC)c(CNC(=O)COC(=O)/C=C\c2cncc(C)c2)c(OC)c1 ZINC000772376275 1079853451 /nfs/dbraw/zinc/85/34/51/1079853451.db2.gz FPJKDNMEWZBYEC-WAYWQWQTSA-N 0 0 400.431 2.289 20 0 HEADRN COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O ZINC000772378292 1079853900 /nfs/dbraw/zinc/85/39/00/1079853900.db2.gz KLVGYTIUJXDXFU-FOIQADDNSA-N 0 0 422.503 2.091 20 0 HEADRN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000772378871 1079854451 /nfs/dbraw/zinc/85/44/51/1079854451.db2.gz QFRJFXIULMHKKN-INIZCTEOSA-N 0 0 419.436 2.188 20 0 HEADRN CCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)c2ccc3c(c2)COC3)c1 ZINC000746538260 1079855522 /nfs/dbraw/zinc/85/55/22/1079855522.db2.gz NAFDOTSHYVUINX-UHFFFAOYSA-N 0 0 403.456 2.363 20 0 HEADRN Cc1cc(NC(=O)COC(=O)/C=C/c2cncc(C)c2)n(-c2nc(C)cc(C)n2)n1 ZINC000772386720 1079857152 /nfs/dbraw/zinc/85/71/52/1079857152.db2.gz UJGMIIFISHGKGM-AATRIKPKSA-N 0 0 406.446 2.486 20 0 HEADRN Cc1cc(NC(=O)COC(=O)/C=C\c2cncc(C)c2)n(-c2nc(C)cc(C)n2)n1 ZINC000772386721 1079857222 /nfs/dbraw/zinc/85/72/22/1079857222.db2.gz UJGMIIFISHGKGM-WAYWQWQTSA-N 0 0 406.446 2.486 20 0 HEADRN CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2c(OC)cccc2OC)cc1 ZINC000772387459 1079858115 /nfs/dbraw/zinc/85/81/15/1079858115.db2.gz MJFDOSXPCALPRG-UHFFFAOYSA-N 0 0 404.488 2.417 20 0 HEADRN Cc1ccc(NC(=O)NC(=O)COC(=O)CCCNC(=O)c2cccnc2)cc1C ZINC000772388490 1079858484 /nfs/dbraw/zinc/85/84/84/1079858484.db2.gz FAPSHLMKVOCKSP-UHFFFAOYSA-N 0 0 412.446 2.100 20 0 HEADRN O=C(Cc1cc[nH]c(=O)c1Br)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000772390357 1079859414 /nfs/dbraw/zinc/85/94/14/1079859414.db2.gz ZIHVOUJFWMUCIV-STQMWFEESA-N 0 0 411.252 2.036 20 0 HEADRN NC(=O)c1cc(OC2CCN(C(=O)Nc3ccc(Br)nc3)CC2)ccn1 ZINC000772391430 1079859591 /nfs/dbraw/zinc/85/95/91/1079859591.db2.gz YRMJSZMBTYTQSM-UHFFFAOYSA-N 0 0 420.267 2.413 20 0 HEADRN CCc1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)co1 ZINC000772395108 1079860427 /nfs/dbraw/zinc/86/04/27/1079860427.db2.gz YELOQKHGZWYKES-LBPRGKRZSA-N 0 0 409.464 2.108 20 0 HEADRN O=C(Nc1ccc(N2CCOCC2)cn1)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000772396513 1079860994 /nfs/dbraw/zinc/86/09/94/1079860994.db2.gz KQZBPHNDYHIFGS-PMACEKPBSA-N 0 0 412.490 2.275 20 0 HEADRN C[C@H]1Cc2ccccc2N1CCNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772452936 1079861060 /nfs/dbraw/zinc/86/10/60/1079861060.db2.gz BQUQXJGSARCAEX-INIZCTEOSA-N 0 0 423.517 2.185 20 0 HEADRN CCNC(=O)COC(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1 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Cc1ccc(NC(=O)[C@]2(O)CCc3ccccc3C2)cc1N1CCCS1(=O)=O ZINC000786214026 1080480542 /nfs/dbraw/zinc/48/05/42/1080480542.db2.gz DBUVGOJJBRKWKI-NRFANRHFSA-N 0 0 400.500 2.393 20 0 HEADRN COc1ccc(NC(=O)NCC[S@@](=O)Cc2ccccc2)cc1-n1nnnc1C ZINC000743137239 1080480828 /nfs/dbraw/zinc/48/08/28/1080480828.db2.gz JCTRJJMIYAOFBK-GDLZYMKVSA-N 0 0 414.491 2.050 20 0 HEADRN CCC(CC)(CO)NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000786179699 1080481105 /nfs/dbraw/zinc/48/11/05/1080481105.db2.gz SPELTAPPEISRTM-UHFFFAOYSA-N 0 0 422.530 2.206 20 0 HEADRN CN(C)c1cccc(CNC(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)n1 ZINC000768320515 1080483653 /nfs/dbraw/zinc/48/36/53/1080483653.db2.gz MUDPKJLKVIICCX-MQVJKMGUSA-N 0 0 416.522 2.226 20 0 HEADRN CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCC[C@H](Cn3ccnn3)C2)ccn1 ZINC000768321308 1080484489 /nfs/dbraw/zinc/48/44/89/1080484489.db2.gz HXINYDSHQQFNDE-HNNXBMFYSA-N 0 0 400.483 2.250 20 0 HEADRN COC1CCN(C(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)CC1 ZINC000786182657 1080484580 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COCCOC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000768364203 1080514307 /nfs/dbraw/zinc/51/43/07/1080514307.db2.gz FWYUKTGZEMAQJS-DYESRHJHSA-N 0 0 419.478 2.141 20 0 HEADRN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H]3CCOC4(CCCC4)C3)C2=O)cc1 ZINC000768364377 1080514373 /nfs/dbraw/zinc/51/43/73/1080514373.db2.gz LDIQBCAVASVEQS-HRAATJIYSA-N 0 0 415.490 2.070 20 0 HEADRN O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000768365623 1080514951 /nfs/dbraw/zinc/51/49/51/1080514951.db2.gz VJZQEEHFLFMXMF-QRVBRYPASA-N 0 0 402.491 2.366 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)Cc2cc(-c3ccccc3)on2)n1 ZINC000786239421 1080515300 /nfs/dbraw/zinc/51/53/00/1080515300.db2.gz IPXLPKMUZOUXFD-UHFFFAOYSA-N 0 0 402.476 2.462 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)n1 ZINC000786241587 1080516391 /nfs/dbraw/zinc/51/63/91/1080516391.db2.gz HFDOSYGPYGTTQU-SFHVURJKSA-N 0 0 421.519 2.436 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2ccnc(N3CC[C@H](C)C3)c2)n1 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404.454 2.140 20 0 HEADRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C(=O)NCCNC(=O)OC(C)(C)C)c1 ZINC000786701696 1080762738 /nfs/dbraw/zinc/76/27/38/1080762738.db2.gz HBSLXGGKXUGAPM-INIZCTEOSA-N 0 0 421.494 2.008 20 0 HEADRN CC(C)(C)OC(=O)NCCNC(=O)C(=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000786704295 1080763024 /nfs/dbraw/zinc/76/30/24/1080763024.db2.gz FNRHJYGZYADTMR-UHFFFAOYSA-N 0 0 409.433 2.221 20 0 HEADRN C[C@H](NC(=O)C(=O)NCCNC(=O)OC(C)(C)C)c1cccc(N2CCCC2)c1 ZINC000786706676 1080764589 /nfs/dbraw/zinc/76/45/89/1080764589.db2.gz LXGOQCPAIQZUJD-HNNXBMFYSA-N 0 0 404.511 2.105 20 0 HEADRN COc1cc(CN(C)C(=O)C(=O)NCCNC(=O)OC(C)(C)C)ccc1SC ZINC000786709985 1080765476 /nfs/dbraw/zinc/76/54/76/1080765476.db2.gz XGMWJQLBNYUIOP-UHFFFAOYSA-N 0 0 411.524 2.016 20 0 HEADRN O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cc(N2CCNC(=O)C2)ccn1 ZINC000786712122 1080766168 /nfs/dbraw/zinc/76/61/68/1080766168.db2.gz KPADDONBBVUYNK-UHFFFAOYSA-N 0 0 413.865 2.050 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@H]2CCOc3c(F)cccc32)n1 ZINC000786712766 1080766574 /nfs/dbraw/zinc/76/65/74/1080766574.db2.gz JDWYTVHPPCZKSX-HNNXBMFYSA-N 0 0 410.471 2.411 20 0 HEADRN O=C(CCN1C(=S)N=NC1c1cccs1)NCCC1CCS(=O)(=O)CC1 ZINC000768741818 1080766699 /nfs/dbraw/zinc/76/66/99/1080766699.db2.gz NEQSULHHPOYJSU-UHFFFAOYSA-N 0 0 414.578 2.017 20 0 HEADRN CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccc2c(c1)CCS2(=O)=O ZINC000768742622 1080767300 /nfs/dbraw/zinc/76/73/00/1080767300.db2.gz JEGHMEDRYIPBNC-UHFFFAOYSA-N 0 0 411.524 2.025 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N(Cc2ccccc2)[C@@H](C)CCO)n1 ZINC000786716428 1080768700 /nfs/dbraw/zinc/76/87/00/1080768700.db2.gz FMFQZXIKVOUMEY-KRWDZBQOSA-N 0 0 422.551 2.431 20 0 HEADRN COC(=O)c1ccc(COC(=O)[C@@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)o1 ZINC000786716493 1080768788 /nfs/dbraw/zinc/76/87/88/1080768788.db2.gz RASUWDDUNKZUJX-OAHLLOKOSA-N 0 0 407.423 2.451 20 0 HEADRN C[C@@H]1CCCN(C(=O)COC(=O)[C@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)C1 ZINC000786717431 1080769933 /nfs/dbraw/zinc/76/99/33/1080769933.db2.gz UABZRLYLVPDWBH-PBHICJAKSA-N 0 0 408.499 2.130 20 0 HEADRN CN(CCN(C)C(=O)OC(C)(C)C)CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000768745915 1080769890 /nfs/dbraw/zinc/76/98/90/1080769890.db2.gz QQCHGXCDFIHNGQ-UHFFFAOYSA-N 0 0 408.518 2.273 20 0 HEADRN O=C(Nc1ccc(N2CCOCC2)c(F)c1)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000768746182 1080769940 /nfs/dbraw/zinc/76/99/40/1080769940.db2.gz JVLRDHQFNZQDIJ-INIZCTEOSA-N 0 0 405.470 2.209 20 0 HEADRN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1nc(C2CCCCC2)cs1 ZINC000768745807 1080769976 /nfs/dbraw/zinc/76/99/76/1080769976.db2.gz PXNWVLVMKWYUKW-LBPRGKRZSA-N 0 0 412.537 2.335 20 0 HEADRN CCOc1cc(CNC(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)ccc1OC ZINC000786719348 1080770772 /nfs/dbraw/zinc/77/07/72/1080770772.db2.gz BEYJPOYMRGJIMJ-UHFFFAOYSA-N 0 0 424.523 2.355 20 0 HEADRN CC(=O)[C@@H](Cc1ccc(F)cc1F)OC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000768746685 1080770955 /nfs/dbraw/zinc/77/09/55/1080770955.db2.gz VGMACNFYTQXHPD-OAHLLOKOSA-N 0 0 415.414 2.474 20 0 HEADRN COCCC1(C(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)CC1 ZINC000786667064 1080771108 /nfs/dbraw/zinc/77/11/08/1080771108.db2.gz VKHLKYXPUDCUTF-UHFFFAOYSA-N 0 0 405.499 2.289 20 0 HEADRN C[C@H](OC(=O)c1coc(C2CCCC2)n1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000786666783 1080771505 /nfs/dbraw/zinc/77/15/05/1080771505.db2.gz NUKNRGOWNKVXPZ-NSHDSACASA-N 0 0 407.448 2.164 20 0 HEADRN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCc4nc(C)ncc4C3)C2)cc1 ZINC000786671657 1080773184 /nfs/dbraw/zinc/77/31/84/1080773184.db2.gz FURMVISMMAJEJM-TZIWHRDSSA-N 0 0 421.545 2.194 20 0 HEADRN COCC[S@](=O)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000768751756 1080773112 /nfs/dbraw/zinc/77/31/12/1080773112.db2.gz CFNHNULTVKVXDN-RXAIFQJESA-N 0 0 402.463 2.214 20 0 HEADRN O=C(Nc1cccc(N2CCCCC2)c1)C(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000768751697 1080773166 /nfs/dbraw/zinc/77/31/66/1080773166.db2.gz AYEASMNFPQSCFM-SFHVURJKSA-N 0 0 401.507 2.460 20 0 HEADRN Cc1c(NC(=O)C(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)cnn1C ZINC000768751682 1080773270 /nfs/dbraw/zinc/77/32/70/1080773270.db2.gz AVCGNUOIAZCQQY-UHFFFAOYSA-N 0 0 417.466 2.209 20 0 HEADRN CCCCC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000768753589 1080773911 /nfs/dbraw/zinc/77/39/11/1080773911.db2.gz UTQKNCZMIUTQKJ-MRXNPFEDSA-N 0 0 411.524 2.378 20 0 HEADRN COC(=O)COc1c(C)cc(C(=O)N[C@@H](CC(=O)OC)c2ccncc2)cc1C ZINC000786675874 1080774265 /nfs/dbraw/zinc/77/42/65/1080774265.db2.gz GFAZGOIKPIRGOF-KRWDZBQOSA-N 0 0 400.431 2.284 20 0 HEADRN CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)cn1 ZINC000768755517 1080774887 /nfs/dbraw/zinc/77/48/87/1080774887.db2.gz VVMNCUSYFUSKBQ-UHFFFAOYSA-N 0 0 421.885 2.478 20 0 HEADRN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C(=O)NCCc1ccccc1Cl ZINC000786681246 1080775182 /nfs/dbraw/zinc/77/51/82/1080775182.db2.gz HCOCDSRQAOLGPW-CQSZACIVSA-N 0 0 409.914 2.467 20 0 HEADRN CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)C(=O)NCc2ccc(F)c(F)c2)C1 ZINC000786681289 1080775199 /nfs/dbraw/zinc/77/51/99/1080775199.db2.gz CMGSETJOICTMKY-FQEVSTJZSA-N 0 0 411.449 2.344 20 0 HEADRN COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCc3ccc(F)c(F)c3C2)cc1 ZINC000768755793 1080775385 /nfs/dbraw/zinc/77/53/85/1080775385.db2.gz KGWKBVOEOKHNMT-UHFFFAOYSA-N 0 0 403.385 2.073 20 0 HEADRN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)NCCC1CCS(=O)(=O)CC1 ZINC000768757531 1080775421 /nfs/dbraw/zinc/77/54/21/1080775421.db2.gz GOKOMAZSNQAYCO-MRXNPFEDSA-N 0 0 417.572 2.290 20 0 HEADRN COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000786680895 1080775506 /nfs/dbraw/zinc/77/55/06/1080775506.db2.gz DDHZPMACLNSNMX-OCCSQVGLSA-N 0 0 415.412 2.305 20 0 HEADRN CC1([C@@H]2CCCN(C(=O)C(=O)NCc3ccccc3C(F)(F)F)C2)OCCO1 ZINC000786681368 1080775859 /nfs/dbraw/zinc/77/58/59/1080775859.db2.gz IUBIPCNFGYVRPW-CQSZACIVSA-N 0 0 400.397 2.323 20 0 HEADRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000768758265 1080776852 /nfs/dbraw/zinc/77/68/52/1080776852.db2.gz FASGMAYOKJWLLA-YWEYNIOJSA-N 0 0 400.456 2.268 20 0 HEADRN CCOC(=O)c1ccc(CNC(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)cc1 ZINC000786726260 1080776886 /nfs/dbraw/zinc/77/68/86/1080776886.db2.gz WFQXFSZIGMWJKO-UHFFFAOYSA-N 0 0 422.507 2.125 20 0 HEADRN C[C@@H](Cn1cccn1)OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000768801215 1080778412 /nfs/dbraw/zinc/77/84/12/1080778412.db2.gz XADXBEQOCGJCFC-INIZCTEOSA-N 0 0 405.520 2.452 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)n1 ZINC000786730576 1080781078 /nfs/dbraw/zinc/78/10/78/1080781078.db2.gz MSODYHUAUSSNEJ-HNNXBMFYSA-N 0 0 408.524 2.475 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)NCc2ccccc2-n2ccnc2)n1 ZINC000786731838 1080781453 /nfs/dbraw/zinc/78/14/53/1080781453.db2.gz IMLOIGZHNHSAOF-UHFFFAOYSA-N 0 0 416.507 2.134 20 0 HEADRN COc1cc(C(=O)OCC(=O)c2ccc(NC(N)=O)cc2)cnc1Br ZINC000786733460 1080781909 /nfs/dbraw/zinc/78/19/09/1080781909.db2.gz YOLFPKCUCWPOBD-UHFFFAOYSA-N 0 0 408.208 2.383 20 0 HEADRN O=C(OC[C@H]1CNC(c2ccccc2)=NO1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000768805130 1080782009 /nfs/dbraw/zinc/78/20/09/1080782009.db2.gz KBFALERFPDZOGD-WOJBJXKFSA-N 0 0 407.470 2.432 20 0 HEADRN CNS(=O)(=O)c1ccc(CNS(=O)(=O)/C=C/c2cccc(Cl)c2)s1 ZINC000768804794 1080782670 /nfs/dbraw/zinc/78/26/70/1080782670.db2.gz BDTXLMPXFDVZPF-BQYQJAHWSA-N 0 0 406.938 2.400 20 0 HEADRN COc1ccc([C@@H]2[C@@H](C(=O)OC[C@H]3CNC(c4ccccc4)=NO3)CC(=O)N2C)cc1 ZINC000768806449 1080783004 /nfs/dbraw/zinc/78/30/04/1080783004.db2.gz CFMLYQAHWRLDEE-SVFBPWRDSA-N 0 0 423.469 2.108 20 0 HEADRN CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)OC[C@H]1CNC(c2ccccc2)=NO1 ZINC000768806275 1080783025 /nfs/dbraw/zinc/78/30/25/1080783025.db2.gz PKTWCJZFNAKFJD-HUUCEWRRSA-N 0 0 407.492 2.190 20 0 HEADRN COC(=O)c1cn(CC(=O)OC[C@@H]2CNC(c3ccccc3)=NO2)c2ccccc12 ZINC000768806460 1080783051 /nfs/dbraw/zinc/78/30/51/1080783051.db2.gz CLSJSYGTYSWSOG-INIZCTEOSA-N 0 0 407.426 2.321 20 0 HEADRN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC[C@H]1CNC(c2ccccc2)=NO1 ZINC000768806352 1080783546 /nfs/dbraw/zinc/78/35/46/1080783546.db2.gz QVKHCWZPKRPGHW-WIYYLYMNSA-N 0 0 420.469 2.109 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)NC[C@@H](C)Oc2ccc(OC)cc2)n1 ZINC000786735122 1080783669 /nfs/dbraw/zinc/78/36/69/1080783669.db2.gz MPSOVRBNOJUKDB-OAHLLOKOSA-N 0 0 424.523 2.224 20 0 HEADRN O=C(OC[C@@H]1CNC(c2ccccc2)=NO1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000768807282 1080784407 /nfs/dbraw/zinc/78/44/07/1080784407.db2.gz VUMMTDRQDLVWBT-HOCLYGCPSA-N 0 0 415.396 2.211 20 0 HEADRN CC(C)(C)OC(=O)NCCCNC(=O)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000786736535 1080784837 /nfs/dbraw/zinc/78/48/37/1080784837.db2.gz WPHWQLVFGIBZCU-SFHVURJKSA-N 0 0 419.522 2.302 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)n1 ZINC000786737366 1080784897 /nfs/dbraw/zinc/78/48/97/1080784897.db2.gz YSKRHNREKLKKIE-SFHVURJKSA-N 0 0 420.535 2.102 20 0 HEADRN CC[C@H]1CN(C)c2ccccc2CN1C(=O)C(=O)NCCCNC(=O)OC(C)(C)C ZINC000786737230 1080785370 /nfs/dbraw/zinc/78/53/70/1080785370.db2.gz LODOPQUBCSKHPA-KRWDZBQOSA-N 0 0 418.538 2.275 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)NCCc2cc3ccccc3[nH]2)n1 ZINC000786736780 1080785611 /nfs/dbraw/zinc/78/56/11/1080785611.db2.gz UNSKPAFDQOPYCN-UHFFFAOYSA-N 0 0 403.508 2.472 20 0 HEADRN CCN(C)c1ccccc1CNC(=O)Nc1nn(CCS(=O)(=O)CC)cc1C ZINC000786736584 1080785622 /nfs/dbraw/zinc/78/56/22/1080785622.db2.gz TVGWFWAUMYWGGI-UHFFFAOYSA-N 0 0 407.540 2.404 20 0 HEADRN COc1ccc(-n2nnc(C(=O)OC[C@H]3CNC(c4ccccc4)=NO3)c2C)cc1 ZINC000768807796 1080786312 /nfs/dbraw/zinc/78/63/12/1080786312.db2.gz CVPBXOFNMQVQTC-GOSISDBHSA-N 0 0 407.430 2.091 20 0 HEADRN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)Cc1ccccc1CO ZINC000786739503 1080786430 /nfs/dbraw/zinc/78/64/30/1080786430.db2.gz VJHUXKIIULJFMR-UHFFFAOYSA-N 0 0 411.458 2.436 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@@]2(CO)C[C@H](C)CC(C)(C)C2)n1 ZINC000786737591 1080786467 /nfs/dbraw/zinc/78/64/67/1080786467.db2.gz NHAPIBNTMMACCY-KUHUBIRLSA-N 0 0 414.572 2.325 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N2CCOC[C@H]2c2ccc(C)o2)n1 ZINC000786738894 1080786991 /nfs/dbraw/zinc/78/69/91/1080786991.db2.gz KZXKOCQRKPPMFA-HNNXBMFYSA-N 0 0 410.496 2.133 20 0 HEADRN O=C(CCCNC(=O)NC1CCCCC1)OC[C@H]1CNC(c2ccccc2)=NO1 ZINC000768810660 1080787852 /nfs/dbraw/zinc/78/78/52/1080787852.db2.gz QFYQVBBBQWVYIP-GOSISDBHSA-N 0 0 402.495 2.292 20 0 HEADRN O=C(CS(=O)(=O)c1ccccc1C(F)(F)F)NC1CCC2(CC1)OCCO2 ZINC000786743502 1080789294 /nfs/dbraw/zinc/78/92/94/1080789294.db2.gz UEYMZCYTFXFIOK-UHFFFAOYSA-N 0 0 407.410 2.281 20 0 HEADRN COCCNS(=O)(=O)c1ccc(Br)c(C(=O)OCc2ccoc2)c1 ZINC000768771989 1080789556 /nfs/dbraw/zinc/78/95/56/1080789556.db2.gz WLKWPKYSYQTXOO-UHFFFAOYSA-N 0 0 418.265 2.324 20 0 HEADRN Cc1cc(Cl)ccc1CS(=O)(=O)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000768773373 1080790132 /nfs/dbraw/zinc/79/01/32/1080790132.db2.gz VIRSIWPBIHQVEL-OAHLLOKOSA-N 0 0 407.875 2.220 20 0 HEADRN CCOC(=O)c1csc(CCNC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)n1 ZINC000786746310 1080790984 /nfs/dbraw/zinc/79/09/84/1080790984.db2.gz VOWBBGGTCSHXIF-LBPRGKRZSA-N 0 0 416.503 2.442 20 0 HEADRN CC(C)(C)OC(=O)NCCCNC(=O)C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000786746044 1080791093 /nfs/dbraw/zinc/79/10/93/1080791093.db2.gz DOUCQDHXHIBIOB-UHFFFAOYSA-N 0 0 421.391 2.492 20 0 HEADRN Cc1cc([C@H]2CN(C(=O)C(=O)NCCCNC(=O)OC(C)(C)C)CCO2)ccc1F ZINC000786746136 1080791424 /nfs/dbraw/zinc/79/14/24/1080791424.db2.gz FUVNRVFMUUNJPQ-QGZVFWFLSA-N 0 0 423.485 2.065 20 0 HEADRN O=C(CNC(=O)c1ccccc1)OCc1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000768775328 1080791484 /nfs/dbraw/zinc/79/14/84/1080791484.db2.gz MSLGWYGZHBFURM-UHFFFAOYSA-N 0 0 405.336 2.154 20 0 HEADRN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)c3ccc(Br)nc3)CC2)C1 ZINC000746600888 1080792103 /nfs/dbraw/zinc/79/21/03/1080792103.db2.gz BOPUTJBJMQHYLW-ZBFHGGJFSA-N 0 0 423.355 2.297 20 0 HEADRN CCOC(=O)CN1CCC(COC(=O)Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000768778062 1080792786 /nfs/dbraw/zinc/79/27/86/1080792786.db2.gz PHXZYFJKKHPGMI-UHFFFAOYSA-N 0 0 403.454 2.372 20 0 HEADRN CC(C)(C)OC(=O)NCCCNC(=O)C(=O)NCc1ccccc1N1CCCCC1 ZINC000786747892 1080792967 /nfs/dbraw/zinc/79/29/67/1080792967.db2.gz UQXGPHIWNUVLCJ-UHFFFAOYSA-N 0 0 418.538 2.324 20 0 HEADRN CN(CC(=O)N1CCN(Cc2cnn(C)c2)CC1)c1ccc(C(F)(F)F)cc1C=O ZINC000746600570 1080793608 /nfs/dbraw/zinc/79/36/08/1080793608.db2.gz DHBWTADRDBRCQN-UHFFFAOYSA-N 0 0 423.439 2.032 20 0 HEADRN CC1(C)COC(=O)[C@@H]1OC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000768779962 1080794162 /nfs/dbraw/zinc/79/41/62/1080794162.db2.gz SXJGLOSDJGBIRD-AWEZNQCLSA-N 0 0 423.409 2.259 20 0 HEADRN CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CCOc2ccccc2C(=O)[O-])CC1 ZINC000768782122 1080795407 /nfs/dbraw/zinc/79/54/07/1080795407.db2.gz WZFOEAXNMUJLPL-UHFFFAOYSA-N 0 0 424.441 2.052 20 0 HEADRN COc1ccc([C@]2(C)NC(=O)N(CC(=O)OCc3ccc4c[nH]nc4c3)C2=O)cc1 ZINC000768784345 1080796043 /nfs/dbraw/zinc/79/60/43/1080796043.db2.gz KSVJDJCQIRYEKU-NRFANRHFSA-N 0 0 408.414 2.082 20 0 HEADRN CC1CCC2(CC1)OC[C@H](CNC(=O)C(=O)NCCc1c[nH]c3cc(F)ccc13)O2 ZINC000786755061 1080796571 /nfs/dbraw/zinc/79/65/71/1080796571.db2.gz UBWJTBLNRQDHIQ-QQHGCPPCSA-N 0 0 417.481 2.404 20 0 HEADRN CCS(=O)(=O)CCn1cc(C)c(NC(=O)NCCc2cc(OC)ccc2OC)n1 ZINC000786719757 1080798480 /nfs/dbraw/zinc/79/84/80/1080798480.db2.gz CDDRSKQLIYOJAX-UHFFFAOYSA-N 0 0 424.523 2.008 20 0 HEADRN CC(C)(C)OC(=O)NCCNC(=O)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000786719884 1080798902 /nfs/dbraw/zinc/79/89/02/1080798902.db2.gz XXACDGZSCJOINI-UHFFFAOYSA-N 0 0 419.522 2.204 20 0 HEADRN CC(=O)Nc1cccc(OS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)c1 ZINC000746602965 1080799192 /nfs/dbraw/zinc/79/91/92/1080799192.db2.gz JVNNFAQUNOILPK-UHFFFAOYSA-N 0 0 402.432 2.120 20 0 HEADRN C[C@@H](OC(=O)c1coc(C2CCOCC2)n1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000786723274 1080800455 /nfs/dbraw/zinc/80/04/55/1080800455.db2.gz PFDYEHJHMPFQST-GFCCVEGCSA-N 0 0 422.459 2.368 20 0 HEADRN COc1ccc([C@H](C)NC(=O)C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000786759524 1080801565 /nfs/dbraw/zinc/80/15/65/1080801565.db2.gz ILQVITRWYUAETN-AWEZNQCLSA-N 0 0 405.495 2.388 20 0 HEADRN Cn1ncnc1COc1ccc(S(=O)(=O)Oc2ccc(-n3ccnc3)cc2)cc1 ZINC000746603808 1080803059 /nfs/dbraw/zinc/80/30/59/1080803059.db2.gz TYUWAGKHSJZVLP-UHFFFAOYSA-N 0 0 411.443 2.348 20 0 HEADRN CC(=O)NC[C@H](OC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O)c1ccccc1 ZINC000768800558 1080803860 /nfs/dbraw/zinc/80/38/60/1080803860.db2.gz QGAHDRRFUGEJQI-HTAPYJJXSA-N 0 0 415.490 2.298 20 0 HEADRN CC(=O)NC[C@H](OC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O)c1ccccc1 ZINC000768800559 1080803923 /nfs/dbraw/zinc/80/39/23/1080803923.db2.gz QGAHDRRFUGEJQI-JTSKRJEESA-N 0 0 415.490 2.298 20 0 HEADRN CN(CC(=O)Oc1ccc2c(c1)CN(C)C2=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000768853818 1080806618 /nfs/dbraw/zinc/80/66/18/1080806618.db2.gz JWFAUPQLQMMGTO-UHFFFAOYSA-N 0 0 408.863 2.152 20 0 HEADRN COc1cccc([C@H](C)NC(=O)C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000786764194 1080806625 /nfs/dbraw/zinc/80/66/25/1080806625.db2.gz YWDOEUGYPABHCI-HOCLYGCPSA-N 0 0 405.495 2.340 20 0 HEADRN Cc1nncn1CCNC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000746604816 1080808977 /nfs/dbraw/zinc/80/89/77/1080808977.db2.gz QUZQBNYODXDHBK-IEODJVTJSA-N 0 0 401.898 2.451 20 0 HEADRN Cc1cc(-n2cc(COC(=O)[C@H]3CC[C@@H](C(F)(F)F)NC3=O)nn2)ccc1F ZINC000786766674 1080809748 /nfs/dbraw/zinc/80/97/48/1080809748.db2.gz KBAFWQKUMDERKH-JSGCOSHPSA-N 0 0 400.332 2.215 20 0 HEADRN CC(C)Cc1nc(C(=O)O[C@@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C(C)C)cs1 ZINC000746606346 1080810088 /nfs/dbraw/zinc/81/00/88/1080810088.db2.gz ZUGYRWVSJNSFDB-QAPCUYQASA-N 0 0 416.565 2.216 20 0 HEADRN CCOC(=O)C1=C(CN2CCC(OCc3ccc(F)cc3)CC2)NC(=O)N[C@H]1C ZINC000768816928 1080810379 /nfs/dbraw/zinc/81/03/79/1080810379.db2.gz PMMDZYZFYYRXFT-AWEZNQCLSA-N 0 0 405.470 2.325 20 0 HEADRN CC(C)N1C(=O)c2ccc(C(=O)N[C@H]3CCc4cc(O)ccc4C3)cc2S1(=O)=O ZINC000768819400 1080810941 /nfs/dbraw/zinc/81/09/41/1080810941.db2.gz KPWPADRQTKKZST-INIZCTEOSA-N 0 0 414.483 2.232 20 0 HEADRN COc1cccc([C@@H](C)NC(=O)C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000786770105 1080811708 /nfs/dbraw/zinc/81/17/08/1080811708.db2.gz OXGIVIGHXCGZDG-GDBMZVCRSA-N 0 0 405.495 2.388 20 0 HEADRN COc1ncc(Br)cc1COC(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000768823454 1080812584 /nfs/dbraw/zinc/81/25/84/1080812584.db2.gz CXCUYAPWZXNAMF-UHFFFAOYSA-N 0 0 419.253 2.053 20 0 HEADRN CCOC(CCNC(=O)C(=O)N(C)Cc1ccccc1Br)OCC ZINC000786772512 1080812836 /nfs/dbraw/zinc/81/28/36/1080812836.db2.gz COKIDQFTOWQRFQ-UHFFFAOYSA-N 0 0 401.301 2.313 20 0 HEADRN COc1ncc(Br)cc1COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000768826759 1080813702 /nfs/dbraw/zinc/81/37/02/1080813702.db2.gz SDBPICQRZMDZGU-CHWSQXEVSA-N 0 0 411.252 2.071 20 0 HEADRN COc1ncc(Br)cc1COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000768826757 1080813715 /nfs/dbraw/zinc/81/37/15/1080813715.db2.gz SDBPICQRZMDZGU-BETUJISGSA-N 0 0 411.252 2.071 20 0 HEADRN O=C(OCCCc1nc2ncccn2n1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000768832309 1080815393 /nfs/dbraw/zinc/81/53/93/1080815393.db2.gz SYVDOAZZOQZNMH-UHFFFAOYSA-N 0 0 418.457 2.350 20 0 HEADRN C[S@@](=O)C[C@H](NC(=O)CCC(=O)N1CCOc2ccccc21)c1ccccc1 ZINC000746607874 1080816066 /nfs/dbraw/zinc/81/60/66/1080816066.db2.gz ALQGMYZAJPNGHL-YMGMXPECSA-N 0 0 400.500 2.428 20 0 HEADRN Cc1ccc(OC[C@@H](C)Nc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)cc1 ZINC000786776373 1080817117 /nfs/dbraw/zinc/81/71/17/1080817117.db2.gz CSPOYMKVRODJCI-MRXNPFEDSA-N 0 0 403.504 2.140 20 0 HEADRN CN(C)S(=O)(=O)c1cccc(NC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c1 ZINC000768839607 1080819337 /nfs/dbraw/zinc/81/93/37/1080819337.db2.gz DGFBXBRGCGCBAX-UHFFFAOYSA-N 0 0 414.528 2.268 20 0 HEADRN O=C(CCc1ccccc1)N1CCC(C(=O)OCCCc2nc3ncccn3n2)CC1 ZINC000768838279 1080819416 /nfs/dbraw/zinc/81/94/16/1080819416.db2.gz VHDIWOXGYHDMKU-UHFFFAOYSA-N 0 0 421.501 2.472 20 0 HEADRN CNC(=O)c1ccc(CN(CCOc2ccc(S(C)(=O)=O)cc2)C2CC2)cc1 ZINC000743838648 1080820361 /nfs/dbraw/zinc/82/03/61/1080820361.db2.gz ZWWTYPMVRVSQGQ-UHFFFAOYSA-N 0 0 402.516 2.493 20 0 HEADRN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)Nc3cccc(-n4cnnn4)c3)n[nH]2)C1 ZINC000786780704 1080820771 /nfs/dbraw/zinc/82/07/71/1080820771.db2.gz ARRRZTGVFWMTEN-ZDUSSCGKSA-N 0 0 424.465 2.362 20 0 HEADRN CC[C@H](COC)NC(=O)C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000786786849 1080822683 /nfs/dbraw/zinc/82/26/83/1080822683.db2.gz NZERLGBUIHEIFE-QGZVFWFLSA-N 0 0 405.495 2.095 20 0 HEADRN O=c1sccn1CN1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000746603935 1080822689 /nfs/dbraw/zinc/82/26/89/1080822689.db2.gz WFVAMXDJDVJVHQ-UHFFFAOYSA-N 0 0 417.560 2.274 20 0 HEADRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O ZINC000746604025 1080822727 /nfs/dbraw/zinc/82/27/27/1080822727.db2.gz YKTZYBSSJACPCA-VXGBXAGGSA-N 0 0 408.442 2.234 20 0 HEADRN O=C(N[C@H](CCO)c1cccs1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000768865976 1080823601 /nfs/dbraw/zinc/82/36/01/1080823601.db2.gz HZCHTYIVSHAVTH-RHSMWYFYSA-N 0 0 414.483 2.377 20 0 HEADRN O=C(N[C@H](CCCO)c1ccccc1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000768867597 1080824182 /nfs/dbraw/zinc/82/41/82/1080824182.db2.gz HZIRDPMAZJBGTC-NJYVYQBISA-N 0 0 412.486 2.388 20 0 HEADRN CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H](C)[C@H](CO)SC)cc1 ZINC000768866757 1080824271 /nfs/dbraw/zinc/82/42/71/1080824271.db2.gz DKWLEBCJMVMQID-WFASDCNBSA-N 0 0 410.565 2.251 20 0 HEADRN O=C(OCc1nnnn1CC1CCOCC1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000768870446 1080825062 /nfs/dbraw/zinc/82/50/62/1080825062.db2.gz JUNQZQJJZFQUMR-UHFFFAOYSA-N 0 0 410.356 2.123 20 0 HEADRN Cn1ncc2c1nc(Nc1ccc(N3CCN(C)CC3)c(Br)c1)[nH]c2=O ZINC000786826776 1080827291 /nfs/dbraw/zinc/82/72/91/1080827291.db2.gz KEIWPHMWSMUMFA-UHFFFAOYSA-N 0 0 418.299 2.327 20 0 HEADRN O=C(CNC(=O)[C@H](O)c1ccccc1C(F)(F)F)Nc1ccc2c(c1)OCCO2 ZINC001170064526 1080828378 /nfs/dbraw/zinc/82/83/78/1080828378.db2.gz MWSBLRLAIBNICH-QGZVFWFLSA-N 0 0 410.348 2.265 20 0 HEADRN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@](C)(CO)C3CC3)cc(C(C)C)nc21 ZINC000768877809 1080829062 /nfs/dbraw/zinc/82/90/62/1080829062.db2.gz ZWRVZEGYFJKIFK-NRFANRHFSA-N 0 0 402.495 2.167 20 0 HEADRN O=C(NCC1CCN(C(=O)NCCCN2CCOCC2)CC1)OCc1ccccc1 ZINC000786836752 1080829806 /nfs/dbraw/zinc/82/98/06/1080829806.db2.gz OSJZHIFGDAMVSI-UHFFFAOYSA-N 0 0 418.538 2.057 20 0 HEADRN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Oc1cccc(-n2cnnn2)c1 ZINC000786837778 1080830398 /nfs/dbraw/zinc/83/03/98/1080830398.db2.gz WGAUFKYTIBVQMX-LBPRGKRZSA-N 0 0 424.866 2.497 20 0 HEADRN O=C(NCCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)NC1CCCCC1 ZINC000768883823 1080831683 /nfs/dbraw/zinc/83/16/83/1080831683.db2.gz BPVCFPLUIKXMIJ-UHFFFAOYSA-N 0 0 403.451 2.045 20 0 HEADRN CC(=O)N1CCc2c1cccc2NS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C ZINC000768885641 1080832316 /nfs/dbraw/zinc/83/23/16/1080832316.db2.gz GRODBNDHKNGMDX-UHFFFAOYSA-N 0 0 422.528 2.417 20 0 HEADRN CS(=O)(=O)c1cccc(Br)c1NC[C@H]1COC2(CCOCC2)O1 ZINC000786799162 1080832788 /nfs/dbraw/zinc/83/27/88/1080832788.db2.gz CIKZOQFHPHETRA-NSHDSACASA-N 0 0 406.298 2.187 20 0 HEADRN COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)c1C ZINC000746610968 1080833436 /nfs/dbraw/zinc/83/34/36/1080833436.db2.gz VYSFJACBIHCGDC-DEXQXJORSA-N 0 0 406.504 2.284 20 0 HEADRN COc1cc2c(cc1OC)CN(CC(=O)O[C@@H](C)C(=O)N1CCC(C)CC1)CC2 ZINC000786798724 1080833514 /nfs/dbraw/zinc/83/35/14/1080833514.db2.gz AKPCKZCZKKPXLC-INIZCTEOSA-N 0 0 404.507 2.252 20 0 HEADRN COc1ccccc1NC(=O)CN1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000768887959 1080833947 /nfs/dbraw/zinc/83/39/47/1080833947.db2.gz CLVSMFUBCPZDEK-VQHVLOKHSA-N 0 0 423.469 2.220 20 0 HEADRN COC(=O)Nc1ccccc1C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000768888722 1080834419 /nfs/dbraw/zinc/83/44/19/1080834419.db2.gz LIIZNEBWHGQELP-UHFFFAOYSA-N 0 0 414.437 2.401 20 0 HEADRN NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC000786804735 1080836602 /nfs/dbraw/zinc/83/66/02/1080836602.db2.gz URAZXEOQHMWXPI-ZDUSSCGKSA-N 0 0 417.878 2.404 20 0 HEADRN O=C(OCc1nnnn1Cc1ccccc1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000786806019 1080837204 /nfs/dbraw/zinc/83/72/04/1080837204.db2.gz BLHLPQHARAZQQL-KRWDZBQOSA-N 0 0 412.494 2.129 20 0 HEADRN O=C(COC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000786807035 1080837214 /nfs/dbraw/zinc/83/72/14/1080837214.db2.gz FTONLKKPTFIWJX-NZSAHSFTSA-N 0 0 421.538 2.064 20 0 HEADRN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000804369903 1080837301 /nfs/dbraw/zinc/83/73/01/1080837301.db2.gz DTXLBUPQEYSEIG-PNTFSDHLSA-N 0 0 406.426 2.145 20 0 HEADRN Cc1ccc(-n2nccc2NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)nn1 ZINC000768897503 1080837308 /nfs/dbraw/zinc/83/73/08/1080837308.db2.gz NIPKALDLNKPAAL-UHFFFAOYSA-N 0 0 407.409 2.227 20 0 HEADRN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2ccnn2-c2ccc(C)nn2)C1 ZINC000768898578 1080837714 /nfs/dbraw/zinc/83/77/14/1080837714.db2.gz WJFGTERQQSNSLZ-KRWDZBQOSA-N 0 0 419.445 2.107 20 0 HEADRN COc1cc2c(cc1OC)CN(CC(=O)O[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)CC2 ZINC000786809894 1080838549 /nfs/dbraw/zinc/83/85/49/1080838549.db2.gz MEWPHPUHJRESSJ-IXDOHACOSA-N 0 0 418.534 2.498 20 0 HEADRN COc1ccc(NC(=O)COC(=O)CN2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000786812338 1080839004 /nfs/dbraw/zinc/83/90/04/1080839004.db2.gz 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409.531 2.178 20 0 HEADRN COc1ccc(S(C)(=O)=O)c(CN[C@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC001169755275 1079397572 /nfs/dbraw/zinc/39/75/72/1079397572.db2.gz CCVBBUQONIAGRV-SFHVURJKSA-N 0 0 402.516 2.493 20 0 HEADRN COc1ccc(S(C)(=O)=O)c(CN[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC001169755274 1079397719 /nfs/dbraw/zinc/39/77/19/1079397719.db2.gz CCVBBUQONIAGRV-GOSISDBHSA-N 0 0 402.516 2.493 20 0 HEADRN O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)OCCn1ncc2ccccc21 ZINC000771614207 1079397664 /nfs/dbraw/zinc/39/76/64/1079397664.db2.gz VAPGFZAUSFJFNH-UHFFFAOYSA-N 0 0 409.414 2.226 20 0 HEADRN CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000771613453 1079397824 /nfs/dbraw/zinc/39/78/24/1079397824.db2.gz SQUKVWQUGMKEOK-GOSISDBHSA-N 0 0 419.522 2.408 20 0 HEADRN COCCNC(=O)c1cccc(NC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)c1 ZINC000804338776 1079397850 /nfs/dbraw/zinc/39/78/50/1079397850.db2.gz CYSAESXOQGHDCU-CQSZACIVSA-N 0 0 417.384 2.165 20 0 HEADRN Cc1nn2cc(S(=O)(=O)N[C@H]3CCN(c4ccc(C)cc4)C3=O)cnc2c1Cl 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IDXQNSBSLWCEHM-ZDUSSCGKSA-N 0 0 401.275 2.356 20 0 HEADRN CC[C@@H]1CCCC[C@@H]1OCC(=O)OCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000766812850 1079401210 /nfs/dbraw/zinc/40/12/10/1079401210.db2.gz WLWVXGUBZNGOEP-WZHMAMEKSA-N 0 0 423.510 2.047 20 0 HEADRN COC(=O)c1nccc2c1cccc2S(=O)(=O)NC[C@@H](O)c1ccc(C)cc1 ZINC000766812672 1079401386 /nfs/dbraw/zinc/40/13/86/1079401386.db2.gz KKFXZBQMIKVVPC-QGZVFWFLSA-N 0 0 400.456 2.342 20 0 HEADRN COc1ccc(S(=O)(=O)NCCC(=O)OCC2CCSCC2)cc1OC ZINC000771617518 1079401425 /nfs/dbraw/zinc/40/14/25/1079401425.db2.gz WQAYGHIVZXTVGV-UHFFFAOYSA-N 0 0 403.522 2.059 20 0 HEADRN CO[C@H](C)c1noc(CN2CCCN(CN3Cc4ccc(F)cc4C3=O)CC2)n1 ZINC000771618932 1079401881 /nfs/dbraw/zinc/40/18/81/1079401881.db2.gz MRHLKMPWNVUNIA-CQSZACIVSA-N 0 0 403.458 2.037 20 0 HEADRN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)O[C@H](C)c1cc(F)cc(F)c1 ZINC000771631115 1079402736 /nfs/dbraw/zinc/40/27/36/1079402736.db2.gz RQZLVEMTUJQIEU-GHMZBOCLSA-N 0 0 412.414 2.035 20 0 HEADRN CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000771620133 1079402779 /nfs/dbraw/zinc/40/27/79/1079402779.db2.gz LIUNGANMHNDMGK-DOTOQJQBSA-N 0 0 405.495 2.086 20 0 HEADRN Cn1cncc1CCN1CCn2c(Cc3cccc(Br)c3)nnc2C1 ZINC001169770185 1079403738 /nfs/dbraw/zinc/40/37/38/1079403738.db2.gz ADLMUWLIHFHYMN-UHFFFAOYSA-N 0 0 401.312 2.423 20 0 HEADRN O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCC(c2cccc(F)c2F)CC1 ZINC000771629105 1079413475 /nfs/dbraw/zinc/41/34/75/1079413475.db2.gz VGDASJAEUZNVHV-SFHVURJKSA-N 0 0 407.442 2.401 20 0 HEADRN Cc1cnc(N)c(S(=O)(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c1 ZINC000766827687 1079413879 /nfs/dbraw/zinc/41/38/79/1079413879.db2.gz OHTMJIKMSWGAHQ-HNNXBMFYSA-N 0 0 400.504 2.277 20 0 HEADRN COCCCS(=O)(=O)N1CCN(C(=O)c2cnc(Cl)c3ccccc23)CC1 ZINC000766829342 1079413884 /nfs/dbraw/zinc/41/38/84/1079413884.db2.gz KHWNQFVRUGDYTA-UHFFFAOYSA-N 0 0 411.911 2.012 20 0 HEADRN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](C)CNc2ccccc2)C1=O ZINC000771623414 1079405957 /nfs/dbraw/zinc/40/59/57/1079405957.db2.gz VTBLXNAIHVBRBC-QMHKHESXSA-N 0 0 424.501 2.387 20 0 HEADRN CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000771622620 1079406861 /nfs/dbraw/zinc/40/68/61/1079406861.db2.gz WMAXRICAKPWJCY-JKSUJKDBSA-N 0 0 410.442 2.182 20 0 HEADRN CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)c1ccc2ccccc2c1 ZINC000771624927 1079408579 /nfs/dbraw/zinc/40/85/79/1079408579.db2.gz GMUZDYKEDQKXCD-MSOLQXFVSA-N 0 0 416.474 2.446 20 0 HEADRN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000771628346 1079411627 /nfs/dbraw/zinc/41/16/27/1079411627.db2.gz GZXZHGPYAYXNHP-SUDRFXRBSA-N 0 0 408.520 2.210 20 0 HEADRN O=C(COC(=O)c1ccn(-c2ccc(F)cc2F)n1)Nc1nnc([C@H]2CCCO2)o1 ZINC000766825740 1079411757 /nfs/dbraw/zinc/41/17/57/1079411757.db2.gz ATYWMTBRAKHCCU-CQSZACIVSA-N 0 0 419.344 2.181 20 0 HEADRN CCC1(COC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)COC1 ZINC000771627871 1079412521 /nfs/dbraw/zinc/41/25/21/1079412521.db2.gz GOVXAORVLNGSLE-UHFFFAOYSA-N 0 0 411.398 2.223 20 0 HEADRN CC[C@H](CNS(=O)(=O)N1CCC2(CC1)OCCO2)Oc1ccccc1Cl ZINC000766830951 1079415420 /nfs/dbraw/zinc/41/54/20/1079415420.db2.gz IKFPUARFDCBGPF-CQSZACIVSA-N 0 0 404.916 2.171 20 0 HEADRN CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2CCC(NS(C)(=O)=O)CC2)c1 ZINC000771589201 1079416144 /nfs/dbraw/zinc/41/61/44/1079416144.db2.gz JBWBZDNIODPRCB-UHFFFAOYSA-N 0 0 411.524 2.116 20 0 HEADRN CC1(C)C[C@H](NS(=O)(=O)N2CCC3(CC2)OCCO3)c2ccc(F)cc2O1 ZINC000766833454 1079416940 /nfs/dbraw/zinc/41/69/40/1079416940.db2.gz KAQCOOPTLXEHQG-HNNXBMFYSA-N 0 0 400.472 2.101 20 0 HEADRN CC(C)(C)OC(=O)N[C@@H]1CN([C@H]2CCCN(C(=O)c3ccccc3)C2)CC[C@H]1O ZINC001169783569 1079417385 /nfs/dbraw/zinc/41/73/85/1079417385.db2.gz HOZSJROYQKYTQH-IPMKNSEASA-N 0 0 403.523 2.251 20 0 HEADRN O=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)NC[C@H]1CCC[C@H](O)C1 ZINC000766837181 1079425766 /nfs/dbraw/zinc/42/57/66/1079425766.db2.gz DOERRRTUPAWAPR-STQMWFEESA-N 0 0 424.441 2.209 20 0 HEADRN CC(C)(C)OC(=O)N(CC(=O)N1CCCN(CC(F)F)CC1)C[C@@H]1CCCO1 ZINC000766834107 1079418192 /nfs/dbraw/zinc/41/81/92/1079418192.db2.gz LTLXWQUTZZRUJA-HNNXBMFYSA-N 0 0 405.486 2.202 20 0 HEADRN COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@H](c2ccccc2)c2cccnc2)c1 ZINC000771593022 1079418994 /nfs/dbraw/zinc/41/89/94/1079418994.db2.gz FJRFXUDGLWZKLY-LJQANCHMSA-N 0 0 415.471 2.281 20 0 HEADRN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1)C2=O ZINC000771643481 1079420073 /nfs/dbraw/zinc/42/00/73/1079420073.db2.gz JBMDDYYVIRMJNA-JVJLVOBOSA-N 0 0 417.481 2.351 20 0 HEADRN C[C@@H](CN(C)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)NC(=O)OC(C)(C)C ZINC001169788194 1079420167 /nfs/dbraw/zinc/42/01/67/1079420167.db2.gz NHKJGOUCAPKXJL-ZDUSSCGKSA-N 0 0 411.524 2.113 20 0 HEADRN CCS(=O)(=O)N1CCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000771644713 1079420843 /nfs/dbraw/zinc/42/08/43/1079420843.db2.gz CUACLFRMTYOPBN-UHFFFAOYSA-N 0 0 411.524 2.070 20 0 HEADRN CCc1ccccc1-n1cnnc1SCC(=O)N[C@]1(CC(=O)OC)CCCOC1 ZINC000771648379 1079421983 /nfs/dbraw/zinc/42/19/83/1079421983.db2.gz GSDLQJFXXQUVFO-FQEVSTJZSA-N 0 0 418.519 2.150 20 0 HEADRN Cc1ccccc1[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CCN1 ZINC001169832473 1079426029 /nfs/dbraw/zinc/42/60/29/1079426029.db2.gz VQHXADWDMZNGKG-GOSISDBHSA-N 0 0 407.923 2.100 20 0 HEADRN COC(=O)C[C@]1(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)CCCOC1 ZINC000771650026 1079422469 /nfs/dbraw/zinc/42/24/69/1079422469.db2.gz LJCAZTHMYCWIKU-QVKFZJNVSA-N 0 0 421.469 2.298 20 0 HEADRN O=C(c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)N1CCCC2(CC2)C1 ZINC000771649124 1079422530 /nfs/dbraw/zinc/42/25/30/1079422530.db2.gz YWQXZVYEHQRLQL-OAHLLOKOSA-N 0 0 404.488 2.026 20 0 HEADRN Cc1cn2c(ncc(C(=O)N3CCC(CNC(=O)OC(C)(C)C)CC3)c2=O)s1 ZINC000771655624 1079426128 /nfs/dbraw/zinc/42/61/28/1079426128.db2.gz ZMCUSPRDEGMBDP-UHFFFAOYSA-N 0 0 406.508 2.441 20 0 HEADRN Cc1ccc([C@@H]2OCCC[C@H]2CNS(=O)(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000766824255 1079422832 /nfs/dbraw/zinc/42/28/32/1079422832.db2.gz JFXDPPBVDXRZRZ-OALUTQOASA-N 0 0 410.536 2.136 20 0 HEADRN CC[C@H](C)[C@H](NC(=O)COC(=O)c1ccn(-c2ccc(F)cc2F)n1)C(=O)OC ZINC000766824447 1079422863 /nfs/dbraw/zinc/42/28/63/1079422863.db2.gz WQIOIVRSNLGQRI-GTNSWQLSSA-N 0 0 409.389 2.011 20 0 HEADRN Cn1ccc(N2CCC[C@@H](OC(=O)c3ccn(-c4ccc(F)cc4F)n3)C2=O)n1 ZINC000766824063 1079423176 /nfs/dbraw/zinc/42/31/76/1079423176.db2.gz SVBHAEPIIQTALC-MRXNPFEDSA-N 0 0 401.373 2.236 20 0 HEADRN O=C(N1CCC(CNS(=O)(=O)Cc2c(F)cccc2F)CC1)C(F)(F)F ZINC000766835916 1079423685 /nfs/dbraw/zinc/42/36/85/1079423685.db2.gz UBVDJABHCMPGNI-UHFFFAOYSA-N 0 0 400.369 2.185 20 0 HEADRN COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000766825285 1079423729 /nfs/dbraw/zinc/42/37/29/1079423729.db2.gz MDLQNHIEBOGHOY-LBPRGKRZSA-N 0 0 421.400 2.107 20 0 HEADRN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000766825373 1079423874 /nfs/dbraw/zinc/42/38/74/1079423874.db2.gz VUAKKSZCYDKGPQ-GOSISDBHSA-N 0 0 400.516 2.408 20 0 HEADRN COC(=O)C[C@]1(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CCCOC1 ZINC000771653289 1079424270 /nfs/dbraw/zinc/42/42/70/1079424270.db2.gz SQTDBCXRPZIGFH-IIBYNOLFSA-N 0 0 403.479 2.159 20 0 HEADRN CC(C)(C)NC(=O)c1ccccc1NC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000766846223 1079424485 /nfs/dbraw/zinc/42/44/85/1079424485.db2.gz OCJDDOUBCRFKNI-UHFFFAOYSA-N 0 0 403.512 2.003 20 0 HEADRN CCOc1ccc(N2C[C@H](C(=O)NCc3c(=O)[nH]nc(CC)c3CC)CC2=O)cc1 ZINC000771653913 1079425242 /nfs/dbraw/zinc/42/52/42/1079425242.db2.gz PESDJFNJVBHGGT-CQSZACIVSA-N 0 0 412.490 2.375 20 0 HEADRN O=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[C@@H](CCO)C1 ZINC000766832593 1079415711 /nfs/dbraw/zinc/41/57/11/1079415711.db2.gz JOFBSGHWZYDZAD-ZDUSSCGKSA-N 0 0 424.441 2.163 20 0 HEADRN CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2cccn2)c(F)c1 ZINC000771629875 1079415690 /nfs/dbraw/zinc/41/56/90/1079415690.db2.gz ZVVSFUYIBCRXKD-OAHLLOKOSA-N 0 0 406.414 2.406 20 0 HEADRN COC(=O)C[C@]1(NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CCCOC1 ZINC000771657083 1079426830 /nfs/dbraw/zinc/42/68/30/1079426830.db2.gz XJXAQXCRKKARDG-BBATYDOGSA-N 0 0 417.289 2.340 20 0 HEADRN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)ccc1F ZINC000771657275 1079427189 /nfs/dbraw/zinc/42/71/89/1079427189.db2.gz WNIDJMWVGZGYBM-SJLPKXTDSA-N 0 0 406.479 2.291 20 0 HEADRN O=C(NCc1nc(Cc2ccccc2)no1)Nc1cccc(N2C(=O)CNC2=O)c1 ZINC000746509584 1079428673 /nfs/dbraw/zinc/42/86/73/1079428673.db2.gz XVWXBHXVPWWMLH-UHFFFAOYSA-N 0 0 406.402 2.038 20 0 HEADRN CCCn1nccc1NC(=O)CN(C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 ZINC001169811613 1079429188 /nfs/dbraw/zinc/42/91/88/1079429188.db2.gz PJHSJPZVRXXKTD-MRXNPFEDSA-N 0 0 419.551 2.150 20 0 HEADRN O=S(=O)(N[C@H]1CCCCC12OCCO2)c1cccc(I)c1 ZINC000766840194 1079429994 /nfs/dbraw/zinc/42/99/94/1079429994.db2.gz MAVPNDKZYRDJDQ-ZDUSSCGKSA-N 0 0 423.272 2.255 20 0 HEADRN CCn1c(=O)c2ccccc2n(CC(=O)Nc2n[nH]c(-c3ccc(C)o3)c2C)c1=O ZINC000771660011 1079430738 /nfs/dbraw/zinc/43/07/38/1079430738.db2.gz RXHSVMWHTDIGHO-UHFFFAOYSA-N 0 0 407.430 2.422 20 0 HEADRN O=S(=O)(N[C@@H]1CCCCC12OCCO2)c1ccc(I)cc1 ZINC000766841670 1079431900 /nfs/dbraw/zinc/43/19/00/1079431900.db2.gz WAXBZUNZLUEBQN-CYBMUJFWSA-N 0 0 423.272 2.255 20 0 HEADRN CSC[C@H](C(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000771668497 1079437248 /nfs/dbraw/zinc/43/72/48/1079437248.db2.gz OIEFGEQDXDMQEL-YXWSMURKSA-N 0 0 422.522 2.271 20 0 HEADRN CNS(=O)(=O)c1cccc(S(=O)(=O)Oc2ccc(C)c3c2C(=O)C[C@@H]3C)c1 ZINC000145228063 1079432764 /nfs/dbraw/zinc/43/27/64/1079432764.db2.gz FFRCUSKUUBEPEG-LBPRGKRZSA-N 0 0 409.485 2.361 20 0 HEADRN CC[C@]1(C(=O)Nc2ccn(CCN3CCOCC3)n2)CCCN1C(=O)OC(C)(C)C ZINC000771662793 1079433102 /nfs/dbraw/zinc/43/31/02/1079433102.db2.gz DLURSGKNTNBIJW-OAQYLSRUSA-N 0 0 421.542 2.334 20 0 HEADRN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)c1 ZINC000771664255 1079433621 /nfs/dbraw/zinc/43/36/21/1079433621.db2.gz IPPGOIMQGCDEKE-QRWLVFNGSA-N 0 0 408.495 2.349 20 0 HEADRN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)c1 ZINC000771664257 1079433648 /nfs/dbraw/zinc/43/36/48/1079433648.db2.gz IPPGOIMQGCDEKE-YWZLYKJASA-N 0 0 408.495 2.349 20 0 HEADRN CSC[C@H](C(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000771668492 1079437422 /nfs/dbraw/zinc/43/74/22/1079437422.db2.gz OIEFGEQDXDMQEL-CUWKQTPXSA-N 0 0 422.522 2.271 20 0 HEADRN Nc1nsc(N2CCN(C(=O)Nc3ccc([S@@](=O)C(F)(F)F)cc3)CC2)n1 ZINC000766845434 1079434294 /nfs/dbraw/zinc/43/42/94/1079434294.db2.gz NUJGHUZAYCIZGN-HHHXNRCGSA-N 0 0 420.442 2.102 20 0 HEADRN Cc1ccc(-c2[nH]nc(NC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)c2C)o1 ZINC000771666791 1079435594 /nfs/dbraw/zinc/43/55/94/1079435594.db2.gz HWUOFGCQMZPUSH-OAHLLOKOSA-N 0 0 410.409 2.484 20 0 HEADRN C[C@@H](NC(=O)CSCc1cc(=O)n2ccsc2n1)[C@@H](O)c1ccc(F)cc1 ZINC000771672385 1079438844 /nfs/dbraw/zinc/43/88/44/1079438844.db2.gz NWMVAYPMRKBLTN-PIGZYNQJSA-N 0 0 407.492 2.367 20 0 HEADRN O=C([C@@H]1COCCN1CC(F)F)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000771630477 1079439247 /nfs/dbraw/zinc/43/92/47/1079439247.db2.gz LXOAWDNTKUFJKR-YJBOKZPZSA-N 0 0 407.461 2.095 20 0 HEADRN COC(=O)C(C)(C)[C@@H]1CCCN(CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)C1 ZINC000771631234 1079439685 /nfs/dbraw/zinc/43/96/85/1079439685.db2.gz NQNGXCHKMYSBDO-SZNDQCEHSA-N 0 0 405.470 2.461 20 0 HEADRN COC(=O)C(C)(C)[C@@H]1CCCN(CN2c3cc(OC)cc(OC)c3C(=O)C2=O)C1 ZINC000771632226 1079439811 /nfs/dbraw/zinc/43/98/11/1079439811.db2.gz PRCBGWJUMIOEDP-CYBMUJFWSA-N 0 0 404.463 2.102 20 0 HEADRN CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1cccc(OCc2cscn2)c1 ZINC000766853352 1079440025 /nfs/dbraw/zinc/44/00/25/1079440025.db2.gz YPBHYXBRHVKVIC-UHFFFAOYSA-N 0 0 420.491 2.302 20 0 HEADRN CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N(C)[C@@H](C)c2cccnc2)cc1 ZINC000746508666 1079441007 /nfs/dbraw/zinc/44/10/07/1079441007.db2.gz UUPOPNQYSKKYDW-HNNXBMFYSA-N 0 0 412.533 2.277 20 0 HEADRN CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N(C)[C@H](C)c2cccnc2)cc1 ZINC000746508667 1079441191 /nfs/dbraw/zinc/44/11/91/1079441191.db2.gz UUPOPNQYSKKYDW-OAHLLOKOSA-N 0 0 412.533 2.277 20 0 HEADRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1OCC ZINC000766854860 1079442187 /nfs/dbraw/zinc/44/21/87/1079442187.db2.gz YBCGPPOOADXAEO-SJLPKXTDSA-N 0 0 423.535 2.494 20 0 HEADRN C[C@@H]1NC(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)=NN(c2ccccc2)C1=O ZINC000771635032 1079442622 /nfs/dbraw/zinc/44/26/22/1079442622.db2.gz CTTFGXOBTVUNFG-INIZCTEOSA-N 0 0 424.476 2.060 20 0 HEADRN COCCOCCc1nc(-c2ccc3ncc(I)n3c2)no1 ZINC000771634518 1079442646 /nfs/dbraw/zinc/44/26/46/1079442646.db2.gz MSZFAHARJFKPCD-UHFFFAOYSA-N 0 0 414.203 2.194 20 0 HEADRN COc1ccc(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c(Br)c1 ZINC000766855688 1079442706 /nfs/dbraw/zinc/44/27/06/1079442706.db2.gz FSWXZPILEYZMPV-UHFFFAOYSA-N 0 0 416.272 2.037 20 0 HEADRN Cc1csc2c1nc(Nc1ncc(Br)[nH]c1=O)nc2N1CCOCC1 ZINC001169844259 1079443524 /nfs/dbraw/zinc/44/35/24/1079443524.db2.gz BGTRSIOEPYFPGG-UHFFFAOYSA-N 0 0 423.296 2.426 20 0 HEADRN Cn1ccn2c(CNC3(c4cccc(OC(F)(F)F)c4)CCOCC3)nnc2c1=O ZINC001169843720 1079443674 /nfs/dbraw/zinc/44/36/74/1079443674.db2.gz ITIKIAZYHGIHRA-UHFFFAOYSA-N 0 0 423.395 2.122 20 0 HEADRN COC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2(C)C)c(F)cc1Br ZINC000766858984 1079444592 /nfs/dbraw/zinc/44/45/92/1079444592.db2.gz IXDQWTQLIMBTEP-UHFFFAOYSA-N 0 0 423.304 2.090 20 0 HEADRN Ic1cnc2c(-c3noc(CCn4ccnc4)n3)cccn12 ZINC000771636949 1079444746 /nfs/dbraw/zinc/44/47/46/1079444746.db2.gz ZTPUCNNPGTZPSZ-UHFFFAOYSA-N 0 0 406.187 2.428 20 0 HEADRN C[C@H]1CN(c2ccc(NC(=O)N3CCN(c4nc(N)ns4)CC3)cc2)C[C@H](C)O1 ZINC000766845683 1079445297 /nfs/dbraw/zinc/44/52/97/1079445297.db2.gz ICOQSRAUDCSKHZ-KBPBESRZSA-N 0 0 417.539 2.088 20 0 HEADRN O=C(Cc1noc(-c2ccc(N3CCOCC3)nc2)n1)NCc1ccc(F)c(F)c1 ZINC000771639553 1079446649 /nfs/dbraw/zinc/44/66/49/1079446649.db2.gz CPNSKCNSINMMDG-UHFFFAOYSA-N 0 0 415.400 2.105 20 0 HEADRN CC1CCC2(CC1)NC(=O)N(CC(=O)N(C[C@@H](O)c1ccc(F)cc1)C1CC1)C2=O ZINC000771641422 1079446693 /nfs/dbraw/zinc/44/66/93/1079446693.db2.gz RAYCQEQQPIRXGZ-LYNDWLEASA-N 0 0 417.481 2.351 20 0 HEADRN CCOCCN(C)Cn1nc(-c2ccc(F)cc2)n(CCN2CCOCC2)c1=S ZINC000771640564 1079447224 /nfs/dbraw/zinc/44/72/24/1079447224.db2.gz BPEKIWYIOWLFRR-UHFFFAOYSA-N 0 0 423.558 2.478 20 0 HEADRN CC(C)(C)OC(=O)Nc1ccc(-c2nc(CS(=O)(=O)NC3CC3)no2)c(O)c1 ZINC000771641782 1079447562 /nfs/dbraw/zinc/44/75/62/1079447562.db2.gz VSZSOAJSPLAZOO-UHFFFAOYSA-N 0 0 410.452 2.371 20 0 HEADRN CCCCc1nnc(NC(=O)CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)s1 ZINC000766849438 1079448727 /nfs/dbraw/zinc/44/87/27/1079448727.db2.gz UMCDFWBIIRPCHV-ZDUSSCGKSA-N 0 0 406.508 2.386 20 0 HEADRN CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2nc(Br)sc2C2CC2)C1 ZINC001169853981 1079448774 /nfs/dbraw/zinc/44/87/74/1079448774.db2.gz YPUMPSRAKLOCPH-SECBINFHSA-N 0 0 422.370 2.184 20 0 HEADRN C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(Cc3ccc(O)c(Cl)c3)CC1)CS2 ZINC001169854030 1079448960 /nfs/dbraw/zinc/44/89/60/1079448960.db2.gz ZAGUWMYUOPOWJC-KXBFYZLASA-N 0 0 409.939 2.144 20 0 HEADRN CC[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)[C@@H](O)c1c(F)cccc1F ZINC000771711668 1079459894 /nfs/dbraw/zinc/45/98/94/1079459894.db2.gz ZACFRCVKVGHKMD-VDZJLULYSA-N 0 0 416.428 2.013 20 0 HEADRN COC(=O)[C@H](Cc1ccc(Br)cc1)NC1CCC(S(C)(=O)=O)CC1 ZINC001169857033 1079449462 /nfs/dbraw/zinc/44/94/62/1079449462.db2.gz JSDTYLUBRGACIN-GPANFISMSA-N 0 0 418.353 2.479 20 0 HEADRN Cn1cc([C@@H](O)C[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cn1 ZINC000766850393 1079449561 /nfs/dbraw/zinc/44/95/61/1079449561.db2.gz GFAYMBDCNUVOTQ-AEFFLSMTSA-N 0 0 405.520 2.410 20 0 HEADRN COC(=O)[C@@H](c1cc(OC)cc(OC)c1)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000766848874 1079449691 /nfs/dbraw/zinc/44/96/91/1079449691.db2.gz NPLMHSHJOQMFQB-LAUBAEHRSA-N 0 0 417.458 2.484 20 0 HEADRN Cn1c(CO)nc2cc(C(=O)N3CCN(Cc4ccc(O)c(Cl)c4)CC3)ccc21 ZINC001169859361 1079450852 /nfs/dbraw/zinc/45/08/52/1079450852.db2.gz BFGAFYDUIALZNE-UHFFFAOYSA-N 0 0 414.893 2.383 20 0 HEADRN CCn1nc2c(cc1=O)CN(C(=O)[C@]1(CC)CCCN1C(=O)OC(C)(C)C)CC2 ZINC000771691389 1079451140 /nfs/dbraw/zinc/45/11/40/1079451140.db2.gz VDGNASKJKCBWQN-NRFANRHFSA-N 0 0 404.511 2.328 20 0 HEADRN O=C(Nc1ccc(S(=O)(=O)N[C@@H](CO)Cc2ccc(F)cc2)cc1)C(F)(F)F ZINC000766862524 1079451354 /nfs/dbraw/zinc/45/13/54/1079451354.db2.gz RJOXVKOTSQIELG-CQSZACIVSA-N 0 0 420.384 2.208 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H](NC(=O)[C@H]3CCC4N=NC(=O)N4C3)C(C)(C)[C@H]21 ZINC001169878678 1079451941 /nfs/dbraw/zinc/45/19/41/1079451941.db2.gz BEHDZAYJPNLCNR-XRGAULLZSA-N 0 0 419.526 2.086 20 0 HEADRN CC[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC)[C@@H](O)c1c(F)cccc1F ZINC000771696360 1079452896 /nfs/dbraw/zinc/45/28/96/1079452896.db2.gz LCPXFHQEYURRDP-KBXCAEBGSA-N 0 0 417.412 2.230 20 0 HEADRN CC[C@@H](NC(=O)Cc1c(C)[nH]c2nn(C)c(=O)c-2c1C)[C@H](O)c1c(F)cccc1F ZINC000771696333 1079452964 /nfs/dbraw/zinc/45/29/64/1079452964.db2.gz KSMVZEWEFOIHKK-BEFAXECRSA-N 0 0 418.444 2.328 20 0 HEADRN CC[C@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)[C@@H](O)c1c(F)cccc1F ZINC000771695428 1079452979 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ZINC000767150462 1079716266 /nfs/dbraw/zinc/71/62/66/1079716266.db2.gz XTWKRYBHYULFRD-UHFFFAOYSA-N 0 0 412.442 2.079 20 0 HEADRN O=C(N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)C(F)(F)C1(O)CCC1 ZINC000767151337 1079716795 /nfs/dbraw/zinc/71/67/95/1079716795.db2.gz PRHMRIUFFMCWQE-LBPRGKRZSA-N 0 0 406.351 2.473 20 0 HEADRN CC[C@]1(C(=O)OCC(=O)NC(=O)NCc2ccco2)CCCN1C(=O)OC(C)(C)C ZINC000772118617 1079716963 /nfs/dbraw/zinc/71/69/63/1079716963.db2.gz CGDSZZMHZFQYON-HXUWFJFHSA-N 0 0 423.466 2.328 20 0 HEADRN CCO[C@H]1C[C@@]2(NC(=O)N(c3ccc4c(c3)CCC(=O)N4CCOC)C2=O)C1(C)C ZINC000772119690 1079716981 /nfs/dbraw/zinc/71/69/81/1079716981.db2.gz GGGOOZOYAQBJNB-JTSKRJEESA-N 0 0 415.490 2.242 20 0 HEADRN COC(=O)N(C)CCCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000767150984 1079717262 /nfs/dbraw/zinc/71/72/62/1079717262.db2.gz BFRIXNXJJZDIEN-AWEZNQCLSA-N 0 0 415.412 2.401 20 0 HEADRN O=C(Cc1cccc(O)c1)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000767152513 1079717271 /nfs/dbraw/zinc/71/72/71/1079717271.db2.gz 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COc1cc(N2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)ncn1 ZINC000772136532 1079723616 /nfs/dbraw/zinc/72/36/16/1079723616.db2.gz KGRVIHMBXHFOOC-HZPDHXFCSA-N 0 0 419.526 2.217 20 0 HEADRN NS(=O)(=O)c1cccc(N2C[C@H](C(=O)OCCCCc3ccccc3)CC2=O)c1 ZINC000772137374 1079724196 /nfs/dbraw/zinc/72/41/96/1079724196.db2.gz YSIRFCCHYZRVBB-QGZVFWFLSA-N 0 0 416.499 2.253 20 0 HEADRN NC(=O)c1cccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)n1 ZINC000772143892 1079725463 /nfs/dbraw/zinc/72/54/63/1079725463.db2.gz SNQJHGVHDSUIFF-VBKFSLOCSA-N 0 0 401.386 2.064 20 0 HEADRN COC(=O)[C@H](NC(=O)CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC000746528730 1079726657 /nfs/dbraw/zinc/72/66/57/1079726657.db2.gz XJZIHPIIJTWIER-CYBMUJFWSA-N 0 0 401.257 2.304 20 0 HEADRN COCCN(CCNC(=O)NC[C@H]1COc2ccccc2O1)C(=O)OC(C)(C)C ZINC000767188095 1079727431 /nfs/dbraw/zinc/72/74/31/1079727431.db2.gz JPYOCKSHDGHWDL-HNNXBMFYSA-N 0 0 409.483 2.009 20 0 HEADRN CS(=O)(=O)Nc1ccc(N2CCN(C(=O)NCCc3cccc(F)c3)CC2)cc1 ZINC000767189241 1079727974 /nfs/dbraw/zinc/72/79/74/1079727974.db2.gz IQBWDQWLWWISOM-UHFFFAOYSA-N 0 0 420.510 2.272 20 0 HEADRN CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)C1 ZINC000772181183 1079728206 /nfs/dbraw/zinc/72/82/06/1079728206.db2.gz PCIQQCUCSASLRV-DOTOQJQBSA-N 0 0 403.479 2.255 20 0 HEADRN CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)ccc1Cl ZINC000772180984 1079728234 /nfs/dbraw/zinc/72/82/34/1079728234.db2.gz HLLLPXKCWZWNAO-CQSZACIVSA-N 0 0 421.906 2.446 20 0 HEADRN CCc1nn(C)c(Cl)c1C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000767191952 1079728663 /nfs/dbraw/zinc/72/86/63/1079728663.db2.gz NVOGRSIDRBPUIQ-UHFFFAOYSA-N 0 0 409.899 2.359 20 0 HEADRN CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000767193612 1079729215 /nfs/dbraw/zinc/72/92/15/1079729215.db2.gz JIUVFEIYPONAHX-UHFFFAOYSA-N 0 0 400.859 2.070 20 0 HEADRN CNC(=O)COc1cccc(CC(=O)OCc2cn(-c3ccccc3Cl)nn2)c1 ZINC000772185027 1079730071 /nfs/dbraw/zinc/73/00/71/1079730071.db2.gz RLBXDDPGYGGERH-UHFFFAOYSA-N 0 0 414.849 2.331 20 0 HEADRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCOc1cccc(C(N)=O)c1 ZINC000772185964 1079730183 /nfs/dbraw/zinc/73/01/83/1079730183.db2.gz WTDUCQBECLIQJL-HOCLYGCPSA-N 0 0 405.495 2.459 20 0 HEADRN COc1ccccc1[C@H](CC(C)C)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000746530221 1079730801 /nfs/dbraw/zinc/73/08/01/1079730801.db2.gz GTAOYNXRCSKYJN-KRWDZBQOSA-N 0 0 403.504 2.396 20 0 HEADRN Cc1ccc(CNC(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)s1 ZINC000767197072 1079732351 /nfs/dbraw/zinc/73/23/51/1079732351.db2.gz IKVWQPAOZXZNOA-UHFFFAOYSA-N 0 0 408.549 2.460 20 0 HEADRN Cc1ccc(CC(=O)OCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1O ZINC000772149798 1079732597 /nfs/dbraw/zinc/73/25/97/1079732597.db2.gz MEWMNANAXUUTIG-UHFFFAOYSA-N 0 0 416.518 2.428 20 0 HEADRN COC(=O)[C@H](NC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000772151415 1079733204 /nfs/dbraw/zinc/73/32/04/1079733204.db2.gz MHUNMMDIRIAXJC-CZUORRHYSA-N 0 0 409.508 2.155 20 0 HEADRN CCCCn1c2nc(COC(=O)Cc3ccc(C)c(O)c3)n(CC)c2c(=O)[nH]c1=O ZINC000772155195 1079734204 /nfs/dbraw/zinc/73/42/04/1079734204.db2.gz PRCBAVARGRLQGO-UHFFFAOYSA-N 0 0 414.462 2.419 20 0 HEADRN Cc1ccc(CC(=O)OCC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1O ZINC000772154194 1079734323 /nfs/dbraw/zinc/73/43/23/1079734323.db2.gz LPFYCGWDDPKNKW-MRXNPFEDSA-N 0 0 416.518 2.283 20 0 HEADRN COc1cc(OC)c(OC)cc1CNC(=O)COC(=O)Cc1ccc(C)c(O)c1 ZINC000772157888 1079734718 /nfs/dbraw/zinc/73/47/18/1079734718.db2.gz SWVARWTWSJQUKS-UHFFFAOYSA-N 0 0 403.431 2.129 20 0 HEADRN CS(=O)(=O)Nc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000767206674 1079735983 /nfs/dbraw/zinc/73/59/83/1079735983.db2.gz NBYFKVPTWZXJRF-VQTJNVASSA-N 0 0 414.531 2.446 20 0 HEADRN O=C(OC[C@H]1CN(c2ccccc2)C(=O)O1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000772164419 1079736562 /nfs/dbraw/zinc/73/65/62/1079736562.db2.gz GJNASIDCBLJPQD-OAHLLOKOSA-N 0 0 422.397 2.014 20 0 HEADRN COC(=O)C[C@@H]1CCCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000772171824 1079738068 /nfs/dbraw/zinc/73/80/68/1079738068.db2.gz CVUDVCDYRCMPNL-LBPRGKRZSA-N 0 0 400.884 2.048 20 0 HEADRN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2ccc(N3CCCC3=O)cn2)C1 ZINC000772173145 1079738727 /nfs/dbraw/zinc/73/87/27/1079738727.db2.gz RRTMKRLDLHUOAW-SFHVURJKSA-N 0 0 421.457 2.345 20 0 HEADRN CC(C)(C)c1ccccc1COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000772173426 1079738788 /nfs/dbraw/zinc/73/87/88/1079738788.db2.gz WKEVUNIAXGFQDU-HNNXBMFYSA-N 0 0 406.504 2.193 20 0 HEADRN CCN(CC)S(=O)(=O)N1CCN(Cc2c(F)cccc2Br)CC1 ZINC000772173638 1079738845 /nfs/dbraw/zinc/73/88/45/1079738845.db2.gz CATHZTODXPQZCM-UHFFFAOYSA-N 0 0 408.337 2.292 20 0 HEADRN COCCN1C(=O)c2ccc(C(=O)N3Cc4ccccc4[C@@H]3C)cc2S1(=O)=O ZINC000746529809 1079739950 /nfs/dbraw/zinc/73/99/50/1079739950.db2.gz CEILGDDQYUUQPL-ZDUSSCGKSA-N 0 0 400.456 2.195 20 0 HEADRN O=C(CN1CCN(C(=O)C(=O)Nc2ccc(C3CC3)cc2)CC1)Nc1ccc(F)cc1 ZINC000772207851 1079740095 /nfs/dbraw/zinc/74/00/95/1079740095.db2.gz DHKXWEDIQKPGCK-UHFFFAOYSA-N 0 0 424.476 2.425 20 0 HEADRN CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)COc2ccc(C(N)=O)cc2)C2CC2)C1 ZINC000772208869 1079740803 /nfs/dbraw/zinc/74/08/03/1079740803.db2.gz JBOJGYNUPRJREY-MRXNPFEDSA-N 0 0 403.479 2.165 20 0 HEADRN Cc1cc(NC(=O)C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)nn1-c1ccccc1 ZINC000772209251 1079741858 /nfs/dbraw/zinc/74/18/58/1079741858.db2.gz OIZVAQWRWQSSOU-UHFFFAOYSA-N 0 0 416.441 2.427 20 0 HEADRN O=C(Nc1ccc(C2CC2)cc1)C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000772210316 1079741867 /nfs/dbraw/zinc/74/18/67/1079741867.db2.gz RMZRWQMLBQLBOJ-UHFFFAOYSA-N 0 0 403.486 2.495 20 0 HEADRN Cc1cc(NC(=O)C(=O)NCc2cccc(N3CCOC3=O)c2)nn1-c1ccccc1 ZINC000772210782 1079741952 /nfs/dbraw/zinc/74/19/52/1079741952.db2.gz FHVOEYUONPINOK-UHFFFAOYSA-N 0 0 419.441 2.392 20 0 HEADRN O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)N1CCC(O)(c2ccccc2)CC1 ZINC000767214506 1079742171 /nfs/dbraw/zinc/74/21/71/1079742171.db2.gz ZFALPXFKXRQOLE-UHFFFAOYSA-N 0 0 408.458 2.254 20 0 HEADRN O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)N1CCc2cccc(F)c2C1 ZINC000767214233 1079742301 /nfs/dbraw/zinc/74/23/01/1079742301.db2.gz FRBYUZFQWRACHL-UHFFFAOYSA-N 0 0 423.432 2.455 20 0 HEADRN Cc1cc(S(N)(=O)=O)cc(C(=O)OC[C@H]2CN(c3ccccc3)C(=O)O2)c1C ZINC000772212481 1079742271 /nfs/dbraw/zinc/74/22/71/1079742271.db2.gz OUIJBNDXXQGJLM-OAHLLOKOSA-N 0 0 404.444 2.133 20 0 HEADRN Cc1cc(C)n2nc(C(=O)N(C3CC3)[C@H]3CCN(C(=O)OC(C)(C)C)C3)nc2n1 ZINC000772212315 1079742512 /nfs/dbraw/zinc/74/25/12/1079742512.db2.gz XYDPUKVPMANSBW-HNNXBMFYSA-N 0 0 400.483 2.355 20 0 HEADRN O=C(NCCS(=O)(=O)CC1CC1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000767216496 1079743472 /nfs/dbraw/zinc/74/34/72/1079743472.db2.gz OGFUEKDAXFZKRH-UHFFFAOYSA-N 0 0 417.535 2.186 20 0 HEADRN C[C@H]1CCc2c(sc(NC(=O)CSc3nnc(CO)n3C3CC3)c2C(N)=O)C1 ZINC000767217154 1079744802 /nfs/dbraw/zinc/74/48/02/1079744802.db2.gz NDJBJJOAFKPXRY-VIFPVBQESA-N 0 0 421.548 2.121 20 0 HEADRN Cn1ncc2c1nc(CCC(=O)N1CCc3sc(Br)cc3C1)[nH]c2=O ZINC000772220938 1079745083 /nfs/dbraw/zinc/74/50/83/1079745083.db2.gz IROAHDNSZJCARZ-UHFFFAOYSA-N 0 0 422.308 2.410 20 0 HEADRN C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)NCCS(=O)(=O)CC2CC2)CC1 ZINC000767221334 1079747534 /nfs/dbraw/zinc/74/75/34/1079747534.db2.gz DVMMBAAJTUACAF-MRXNPFEDSA-N 0 0 405.564 2.436 20 0 HEADRN CCCc1cc(NC(=O)C(=O)N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)n(C)n1 ZINC000772223180 1079748168 /nfs/dbraw/zinc/74/81/68/1079748168.db2.gz NIHRSTZRZTYUCC-HNNXBMFYSA-N 0 0 407.515 2.217 20 0 HEADRN O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000767245405 1079748179 /nfs/dbraw/zinc/74/81/79/1079748179.db2.gz LXYPZDWPCCBCNP-UHFFFAOYSA-N 0 0 420.469 2.109 20 0 HEADRN COC[C@H]1CCCCN(C(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)C1 ZINC000767224569 1079749463 /nfs/dbraw/zinc/74/94/63/1079749463.db2.gz OLSGGTKAXQSVLT-KSFYIVLOSA-N 0 0 417.506 2.046 20 0 HEADRN C[C@H](C(=O)OCc1cn(-c2ccccc2Cl)nn1)N1C(=O)NC2(CCCC2)C1=O ZINC000772189277 1079752350 /nfs/dbraw/zinc/75/23/50/1079752350.db2.gz BGMIGQUGAVMHOV-GFCCVEGCSA-N 0 0 417.853 2.217 20 0 HEADRN COC(=O)[C@H](OC(=O)c1ccccc1S(C)(=O)=O)c1cc(OC)cc(OC)c1 ZINC000767231982 1079752368 /nfs/dbraw/zinc/75/23/68/1079752368.db2.gz GYKZXTIEQXUQFC-QGZVFWFLSA-N 0 0 408.428 2.178 20 0 HEADRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000772189297 1079752863 /nfs/dbraw/zinc/75/28/63/1079752863.db2.gz CAODEEFHCONROD-VXGBXAGGSA-N 0 0 406.512 2.375 20 0 HEADRN O=C(CCS(=O)(=O)NCCc1ccc2c(c1)OCCO2)OCc1ccccc1 ZINC000767232546 1079752980 /nfs/dbraw/zinc/75/29/80/1079752980.db2.gz YEMMDMIPQNRXQK-UHFFFAOYSA-N 0 0 405.472 2.053 20 0 HEADRN CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)Cn2cnc3sccc3c2=O)C2CC2)C1 ZINC000772192927 1079753428 /nfs/dbraw/zinc/75/34/28/1079753428.db2.gz UKGYHVWWPYXFKU-AWEZNQCLSA-N 0 0 418.519 2.458 20 0 HEADRN Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)c2ccccc2C)[C@@H](C)O)cc1C ZINC000767234815 1079754332 /nfs/dbraw/zinc/75/43/32/1079754332.db2.gz SWROHRUCOSIHFO-UZLBHIALSA-N 0 0 419.499 2.066 20 0 HEADRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)Cn1cnc2sccc2c1=O ZINC000772194649 1079754958 /nfs/dbraw/zinc/75/49/58/1079754958.db2.gz FVYHLWOSDLJIGO-OLZOCXBDSA-N 0 0 406.508 2.362 20 0 HEADRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)Cn1ncc2ccccc2c1=O ZINC000772195372 1079755497 /nfs/dbraw/zinc/75/54/97/1079755497.db2.gz OTUZQSGRFZMHPI-GDBMZVCRSA-N 0 0 400.479 2.301 20 0 HEADRN CCS[C@@H](C)c1noc(COC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)n1 ZINC000767236516 1079756248 /nfs/dbraw/zinc/75/62/48/1079756248.db2.gz OSYWRWZDLPHSDA-LASWEOPPSA-N 0 0 410.496 2.428 20 0 HEADRN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)CN1C(=O)COc2ccccc21 ZINC000772196160 1079756572 /nfs/dbraw/zinc/75/65/72/1079756572.db2.gz QQBZGXWJZALCSD-LSDHHAIUSA-N 0 0 403.479 2.316 20 0 HEADRN O=C(CCS(=O)(=O)NC1CCN(Cc2ccncc2)CC1)OCc1ccccc1 ZINC000767238101 1079758836 /nfs/dbraw/zinc/75/88/36/1079758836.db2.gz YNYIUIZEBOAAOW-UHFFFAOYSA-N 0 0 417.531 2.099 20 0 HEADRN C[C@H](CNS(=O)(=O)CCC(=O)OCc1ccccc1)N1CCc2ccccc21 ZINC000767239901 1079759264 /nfs/dbraw/zinc/75/92/64/1079759264.db2.gz AVIJZQLNUYALIH-QGZVFWFLSA-N 0 0 402.516 2.491 20 0 HEADRN O=C1CCCN1c1ccc(S(=O)(=O)N2CCC(O)(c3ccccc3)CC2)cc1 ZINC000767239294 1079759964 /nfs/dbraw/zinc/75/99/64/1079759964.db2.gz HMUIBBYUADSPDF-UHFFFAOYSA-N 0 0 400.500 2.486 20 0 HEADRN O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)COc1ccc(Cl)cc1 ZINC000767240522 1079760725 /nfs/dbraw/zinc/76/07/25/1079760725.db2.gz PTVZWBBCDIJAIC-CALCHBBNSA-N 0 0 407.850 2.396 20 0 HEADRN Cc1cc(-c2noc(COC(=O)CN3C(=O)NC4(CCCCC4)C3=O)n2)ccc1F ZINC000767241058 1079761505 /nfs/dbraw/zinc/76/15/05/1079761505.db2.gz QDDNESXAODHTIB-UHFFFAOYSA-N 0 0 416.409 2.482 20 0 HEADRN Cc1ccc2ccccc2c1COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000767241071 1079762319 /nfs/dbraw/zinc/76/23/19/1079762319.db2.gz QGFBKIIJIKMQJM-MRXNPFEDSA-N 0 0 414.483 2.357 20 0 HEADRN COC(=O)c1c(F)ccc(S(=O)(=O)N2CCC(O)(c3ccccc3)CC2)c1F ZINC000767244946 1079763426 /nfs/dbraw/zinc/76/34/26/1079763426.db2.gz QHETVEKYUPJMNS-UHFFFAOYSA-N 0 0 411.426 2.424 20 0 HEADRN COCc1ccc([C@H]2CCCN2C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)o1 ZINC000767244733 1079763889 /nfs/dbraw/zinc/76/38/89/1079763889.db2.gz DJDFJKHPUUOFHB-MSOLQXFVSA-N 0 0 414.437 2.349 20 0 HEADRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000772205020 1079765395 /nfs/dbraw/zinc/76/53/95/1079765395.db2.gz ZJMFJDVNUIXRTH-GJZGRUSLSA-N 0 0 422.526 2.145 20 0 HEADRN NC(=O)[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000772205325 1079765512 /nfs/dbraw/zinc/76/55/12/1079765512.db2.gz ILZXBQAMWDAHDA-RBUKOAKNSA-N 0 0 407.470 2.336 20 0 HEADRN O=C(CCN1C(=O)c2ccccc2C1=O)COC(=O)CCc1nc(-c2ccco2)no1 ZINC000767268636 1079765408 /nfs/dbraw/zinc/76/54/08/1079765408.db2.gz RUBAXNUIIPJDCP-UHFFFAOYSA-N 0 0 423.381 2.061 20 0 HEADRN CCS[C@H](C)c1noc(COC(=O)c2cc(S(=O)(=O)NC)ccc2F)n1 ZINC000767268980 1079765551 /nfs/dbraw/zinc/76/55/51/1079765551.db2.gz DIDWTLORQUWXLO-SECBINFHSA-N 0 0 403.457 2.288 20 0 HEADRN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)COc1ccc(Cl)cc1)C2=O ZINC000767268425 1079766079 /nfs/dbraw/zinc/76/60/79/1079766079.db2.gz LZBRUQDUYVAVMH-RBZFPXEDSA-N 0 0 422.865 2.332 20 0 HEADRN O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)O[C@H]1CCCNC1=O ZINC000767269932 1079766120 /nfs/dbraw/zinc/76/61/20/1079766120.db2.gz JDYYZBIZUDRPJL-SFHVURJKSA-N 0 0 408.520 2.006 20 0 HEADRN CCOC(=O)[C@]1(CCOC(=O)Cn2cnc3sc(C)c(C)c3c2=O)CCCC1=O ZINC000767269623 1079766847 /nfs/dbraw/zinc/76/68/47/1079766847.db2.gz ZKDFBJXFBLJNQY-FQEVSTJZSA-N 0 0 420.487 2.311 20 0 HEADRN O=C(O[C@@H]1CCCNC1=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000767270679 1079767746 /nfs/dbraw/zinc/76/77/46/1079767746.db2.gz FUAKHQTZVNMIRR-OAHLLOKOSA-N 0 0 414.911 2.143 20 0 HEADRN C[C@H](NS(=O)(=O)c1cccc(C(=O)O[C@H]2CCCNC2=O)c1)c1ccccc1 ZINC000767270682 1079768096 /nfs/dbraw/zinc/76/80/96/1079768096.db2.gz FUBKOANDJCADPK-KSSFIOAISA-N 0 0 402.472 2.162 20 0 HEADRN COC(=O)[C@H](OC(=O)C[C@@H]1Oc2ccccc2NC1=O)c1cc(OC)cc(OC)c1 ZINC000767272764 1079770277 /nfs/dbraw/zinc/77/02/77/1079770277.db2.gz WZUGKTZTHJXBQS-PKOBYXMFSA-N 0 0 415.398 2.251 20 0 HEADRN Cc1nc(C)c(C(=O)COC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)o1 ZINC000767273757 1079771140 /nfs/dbraw/zinc/77/11/40/1079771140.db2.gz HKFIDMVCPXEGHM-AWEZNQCLSA-N 0 0 424.450 2.257 20 0 HEADRN CC(C)CN(C(=O)COc1ccc2c(c1)OC(=O)C[C@H]2C)[C@@H]1CCS(=O)(=O)C1 ZINC000772269571 1079772139 /nfs/dbraw/zinc/77/21/39/1079772139.db2.gz WWEUOFVOQRPIHQ-HUUCEWRRSA-N 0 0 409.504 2.150 20 0 HEADRN O=C(Nc1ccn(Cc2ccccn2)n1)C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000772268175 1079772279 /nfs/dbraw/zinc/77/22/79/1079772279.db2.gz MPFZXWIRKDGXOR-YLJYHZDGSA-N 0 0 405.458 2.159 20 0 HEADRN CC(C)NC(=O)Nc1ccccc1C(=O)OCC(=O)CN1C(=O)c2ccccc2C1=O ZINC000767275032 1079772310 /nfs/dbraw/zinc/77/23/10/1079772310.db2.gz ZEOGDUVXGKDHAG-UHFFFAOYSA-N 0 0 423.425 2.239 20 0 HEADRN O=C(CCN1C(=O)c2ccccc2C1=O)COC(=O)c1cc(Br)c[nH]1 ZINC000767274308 1079773157 /nfs/dbraw/zinc/77/31/57/1079773157.db2.gz ZCNGQSPRSSIDET-UHFFFAOYSA-N 0 0 405.204 2.189 20 0 HEADRN CS(=O)(=O)N[C@H]1CCCN(c2cc(Br)cnc2Br)C1 ZINC000804351040 1079773596 /nfs/dbraw/zinc/77/35/96/1079773596.db2.gz WFIUPSLFCDKGLE-VIFPVBQESA-N 0 0 413.135 2.125 20 0 HEADRN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000767276811 1079774240 /nfs/dbraw/zinc/77/42/40/1079774240.db2.gz IIRABNYEYKOMME-DJJJIMSYSA-N 0 0 409.394 2.014 20 0 HEADRN Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)CN3C(=O)c4ccccc4C3=O)c12 ZINC000767276849 1079774309 /nfs/dbraw/zinc/77/43/09/1079774309.db2.gz JGLFNRHGXZLRBM-UHFFFAOYSA-N 0 0 419.393 2.431 20 0 HEADRN CN(C)S(=O)(=O)CCC(=O)OCc1cc(Br)ccc1OC(F)F ZINC000772274583 1079775748 /nfs/dbraw/zinc/77/57/48/1079775748.db2.gz IUPONDFQAIYXFL-UHFFFAOYSA-N 0 0 416.240 2.375 20 0 HEADRN CN(CC1CCOCC1)C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000767250045 1079776500 /nfs/dbraw/zinc/77/65/00/1079776500.db2.gz HPUOYMHOTORTKB-UHFFFAOYSA-N 0 0 424.441 2.427 20 0 HEADRN COC(=O)CN1CCN(c2ccc(NC(=O)N[C@@H]3CCO[C@H](C(C)C)C3)cc2)CC1 ZINC000772275982 1079777180 /nfs/dbraw/zinc/77/71/80/1079777180.db2.gz LVSAUAWZKWXPRZ-QUCCMNQESA-N 0 0 418.538 2.307 20 0 HEADRN C[C@@H]1CN(c2ccnc(C(=O)N3CCC(C4N=NC(=S)N4C)CC3)c2)C[C@@H](C)O1 ZINC000772230206 1079777788 /nfs/dbraw/zinc/77/77/88/1079777788.db2.gz LKTDKMOCEOYTGO-ZIAGYGMSSA-N 0 0 416.551 2.132 20 0 HEADRN COC(=O)c1ccc(F)c(S(=O)(=O)N[C@@H](C(=O)OC)c2ccc(F)c(C)c2)c1 ZINC000767250116 1079777931 /nfs/dbraw/zinc/77/79/31/1079777931.db2.gz OOFDAHCWKIYKGQ-MRXNPFEDSA-N 0 0 413.398 2.252 20 0 HEADRN Cc1cc(S(=O)(=O)NCCNC(=O)c2cccc(-c3cnn(C)c3)c2)c(C)s1 ZINC000772233575 1079780322 /nfs/dbraw/zinc/78/03/22/1079780322.db2.gz VFGKEZSFWZBQHI-UHFFFAOYSA-N 0 0 418.544 2.474 20 0 HEADRN Cc1nc(C)c(C(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)o1 ZINC000767255647 1079780525 /nfs/dbraw/zinc/78/05/25/1079780525.db2.gz QFSMUEMRHYGJEW-UHFFFAOYSA-N 0 0 418.427 2.403 20 0 HEADRN C/C(=C/C(C)(C)C)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000772235359 1079780584 /nfs/dbraw/zinc/78/05/84/1079780584.db2.gz GIMAVZNORJOSBY-ZPWFJYARSA-N 0 0 401.555 2.361 20 0 HEADRN COc1cccc2c1OC[C@@H](NS(=O)(=O)CCC(=O)OCc1ccccc1)C2 ZINC000767257134 1079781124 /nfs/dbraw/zinc/78/11/24/1079781124.db2.gz WCDURUROPZIMAV-KRWDZBQOSA-N 0 0 405.472 2.052 20 0 HEADRN O=C(CCN1C(=O)c2ccccc2C1=O)COC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000767259188 1079782799 /nfs/dbraw/zinc/78/27/99/1079782799.db2.gz CJOYKKVRVVESIR-UHFFFAOYSA-N 0 0 404.378 2.353 20 0 HEADRN O=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000772243913 1079784369 /nfs/dbraw/zinc/78/43/69/1079784369.db2.gz LRQZNHFRYKXFDH-KSEUIEODSA-N 0 0 413.499 2.209 20 0 HEADRN COC(=O)C[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000772245462 1079785052 /nfs/dbraw/zinc/78/50/52/1079785052.db2.gz VWDIWSSTFCCZAU-FERCGXDMSA-N 0 0 420.531 2.253 20 0 HEADRN O=C(CCN1C(=O)c2ccccc2C1=O)COC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000767264409 1079786033 /nfs/dbraw/zinc/78/60/33/1079786033.db2.gz PRMMJFYXZQGYFG-SFHVURJKSA-N 0 0 413.813 2.442 20 0 HEADRN O=C(CCN1C(=O)c2ccccc2C1=O)COC(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000767264343 1079786070 /nfs/dbraw/zinc/78/60/70/1079786070.db2.gz 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HEADRN CCOC(=O)[C@@]1(CCOC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CCCC1=O ZINC000767309380 1079812396 /nfs/dbraw/zinc/81/23/96/1079812396.db2.gz SXRJMSTYTGKAGG-FDDCHVKYSA-N 0 0 415.486 2.456 20 0 HEADRN CNC(=O)COc1cccc(CC(=O)OCC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000772353342 1079813951 /nfs/dbraw/zinc/81/39/51/1079813951.db2.gz PAGWUPVBHRIFSR-UHFFFAOYSA-N 0 0 420.849 2.198 20 0 HEADRN C[C@H](OC(=O)c1cnn(CC(=O)NC2CCCC2)c1)C(=O)N1CCCc2ccccc21 ZINC000772354931 1079814265 /nfs/dbraw/zinc/81/42/65/1079814265.db2.gz WTMSOMUQIMBOEF-INIZCTEOSA-N 0 0 424.501 2.467 20 0 HEADRN CC(=O)OCCc1cccc(NC(=O)NCc2ccc(S(N)(=O)=O)c(C)c2)c1 ZINC000772355915 1079815128 /nfs/dbraw/zinc/81/51/28/1079815128.db2.gz CXOJYAMIRFDFLC-UHFFFAOYSA-N 0 0 405.476 2.070 20 0 HEADRN Cc1nc(C)c(C(=O)COC(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)o1 ZINC000767317270 1079815918 /nfs/dbraw/zinc/81/59/18/1079815918.db2.gz HWGHWXSGUPFXTH-HNNXBMFYSA-N 0 0 410.430 2.446 20 0 HEADRN CNC(=O)COc1cccc(CC(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccccc2C)c1 ZINC000772357798 1079816337 /nfs/dbraw/zinc/81/63/37/1079816337.db2.gz RNUACTXWGYCHGW-SJORKVTESA-N 0 0 412.486 2.471 20 0 HEADRN CNC(=O)COc1cccc(CC(=O)OCC(=O)Nc2ccc(F)cc2Cl)c1 ZINC000772357772 1079816411 /nfs/dbraw/zinc/81/64/11/1079816411.db2.gz RGGVJDZORNUAOE-UHFFFAOYSA-N 0 0 408.813 2.328 20 0 HEADRN COC(=O)[C@@H](OC(=O)[C@@H]1Cc2ccccc2N1C(C)=O)c1cc(OC)cc(OC)c1 ZINC000767319583 1079816681 /nfs/dbraw/zinc/81/66/81/1079816681.db2.gz OTPZNNISMHFZHG-PMACEKPBSA-N 0 0 413.426 2.439 20 0 HEADRN NC(=O)COc1cccc(COC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)c1 ZINC000772358645 1079816925 /nfs/dbraw/zinc/81/69/25/1079816925.db2.gz RMTQQYHTHGCUDP-NEWSRXKRSA-N 0 0 410.474 2.222 20 0 HEADRN COCCO[C@H]1C[C@@H](CO)CN(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)C1 ZINC000772358500 1079817341 /nfs/dbraw/zinc/81/73/41/1079817341.db2.gz RBPCMCIPBNUJOD-DOMZBBRYSA-N 0 0 410.471 2.222 20 0 HEADRN COC(=O)c1cc(S(=O)(=O)NCc2cn3ccsc3n2)c(Br)o1 ZINC000767320310 1079817489 /nfs/dbraw/zinc/81/74/89/1079817489.db2.gz MSHTUGKXDLQEHO-UHFFFAOYSA-N 0 0 420.266 2.016 20 0 HEADRN C[C@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(=O)NCc1ccco1 ZINC000772359383 1079817699 /nfs/dbraw/zinc/81/76/99/1079817699.db2.gz MMQZCMNNLZCIFN-SOUVJXGZSA-N 0 0 408.499 2.372 20 0 HEADRN CN(CC(F)(F)F)C(=O)COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000772361104 1079817733 /nfs/dbraw/zinc/81/77/33/1079817733.db2.gz SYYXNINXNXJZDQ-MCIONIFRSA-N 0 0 400.401 2.178 20 0 HEADRN Cc1nn(C)c(C)c1NC(=O)COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000772360507 1079818145 /nfs/dbraw/zinc/81/81/45/1079818145.db2.gz RAPCWSIVCCEDJS-ULQDDVLXSA-N 0 0 412.494 2.146 20 0 HEADRN CCCn1ncc(C(=O)OCC)c1NC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 ZINC000772360238 1079818204 /nfs/dbraw/zinc/81/82/04/1079818204.db2.gz BOWLPRLBZVXIKP-QGZVFWFLSA-N 0 0 400.435 2.222 20 0 HEADRN O=C(OCN1C(=O)c2ccccc2C1=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000772361925 1079818612 /nfs/dbraw/zinc/81/86/12/1079818612.db2.gz XTCQWZLASMLWPQ-OLMNPRSZSA-N 0 0 406.442 2.411 20 0 HEADRN COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)Nc2cnn(C(C)(C)C)c2)cc1 ZINC000772361369 1079818785 /nfs/dbraw/zinc/81/87/85/1079818785.db2.gz NCKBYZLGPOZGGT-UHFFFAOYSA-N 0 0 422.507 2.048 20 0 HEADRN CCCn1ncc(C(=O)OCC)c1NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000772361396 1079818895 /nfs/dbraw/zinc/81/88/95/1079818895.db2.gz NXFAQNDVHGASEV-UHFFFAOYSA-N 0 0 413.409 2.407 20 0 HEADRN CCc1nn(C)c(Cl)c1C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000767326950 1079820518 /nfs/dbraw/zinc/82/05/18/1079820518.db2.gz UPYHXMWCKFRUON-HNNXBMFYSA-N 0 0 404.898 2.475 20 0 HEADRN Cc1cc(F)ccc1-n1cc(C(=O)NCCS(=O)(=O)Cc2ccccc2)nn1 ZINC000767326514 1079820868 /nfs/dbraw/zinc/82/08/68/1079820868.db2.gz RKGJJSYLAMKGLS-UHFFFAOYSA-N 0 0 402.451 2.060 20 0 HEADRN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772326100 1079820903 /nfs/dbraw/zinc/82/09/03/1079820903.db2.gz AOTKEVOIHRHAPY-OAHLLOKOSA-N 0 0 414.481 2.210 20 0 HEADRN COCCN(CCNS(=O)(=O)c1cccc2cnccc21)C(=O)OC(C)(C)C ZINC000767328076 1079820978 /nfs/dbraw/zinc/82/09/78/1079820978.db2.gz PSSXQWOPKWAYMS-UHFFFAOYSA-N 0 0 409.508 2.397 20 0 HEADRN CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000772326366 1079821883 /nfs/dbraw/zinc/82/18/83/1079821883.db2.gz DCMNVLKFXXKTMV-UHFFFAOYSA-N 0 0 423.473 2.220 20 0 HEADRN CCOc1ccccc1NC(=O)[C@H](C)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772326341 1079821930 /nfs/dbraw/zinc/82/19/30/1079821930.db2.gz CJBZMUVCRAGNCB-HNNXBMFYSA-N 0 0 412.490 2.450 20 0 HEADRN COC(=O)c1n[nH]c2ccc(NC(=O)NC[C@H](O)c3cc(OC)cc(OC)c3)cc21 ZINC000772326870 1079821985 /nfs/dbraw/zinc/82/19/85/1079821985.db2.gz DLNKJZMBQILTAR-KRWDZBQOSA-N 0 0 414.418 2.222 20 0 HEADRN COc1ccc(CS(C)(=O)=O)cc1NC(=O)c1ccc(-n2cncn2)cc1C ZINC000804353112 1079822516 /nfs/dbraw/zinc/82/25/16/1079822516.db2.gz GSLKCXAVINCSRM-UHFFFAOYSA-N 0 0 400.460 2.381 20 0 HEADRN CCOC(=O)[C@@]1(CCOC(=O)c2cn(C)c3nc(C)ccc3c2=O)CCCC1=O ZINC000767342769 1079822981 /nfs/dbraw/zinc/82/29/81/1079822981.db2.gz YQTCOMPKOMJTSC-OAQYLSRUSA-N 0 0 400.431 2.091 20 0 HEADRN O=C(CCN1C(=O)c2ccccc2C1=O)COC(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000767344101 1079823004 /nfs/dbraw/zinc/82/30/04/1079823004.db2.gz DGNZQDSXSWWPCX-UHFFFAOYSA-N 0 0 422.368 2.492 20 0 HEADRN NC(=O)c1cc(OC2CCN([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)ccn1 ZINC000772331893 1079825261 /nfs/dbraw/zinc/82/52/61/1079825261.db2.gz INMNWIJRTJLSIR-LJQANCHMSA-N 0 0 414.893 2.483 20 0 HEADRN CN(C)c1ncc(Br)cc1C(=O)OCC(=O)c1ccc(NC(N)=O)cc1 ZINC000767349314 1079825556 /nfs/dbraw/zinc/82/55/56/1079825556.db2.gz ZUBBENWRLWWZAB-UHFFFAOYSA-N 0 0 421.251 2.440 20 0 HEADRN CN(C)C(=O)Nc1cccc(C(=O)OCC(=O)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000767350207 1079826202 /nfs/dbraw/zinc/82/62/02/1079826202.db2.gz SZQDHCHFMOKNIJ-UHFFFAOYSA-N 0 0 423.425 2.192 20 0 HEADRN CCCCn1ncc(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)c1C ZINC000772332468 1079826212 /nfs/dbraw/zinc/82/62/12/1079826212.db2.gz GPBXXZWERVFNLH-MRXNPFEDSA-N 0 0 416.478 2.115 20 0 HEADRN COc1ncc(NC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1C(N)=O ZINC000772337131 1079829227 /nfs/dbraw/zinc/82/92/27/1079829227.db2.gz CJWZLGHVSBIZGD-NEPJUHHUSA-N 0 0 407.471 2.099 20 0 HEADRN NC(=O)c1cc(OC2CCN([C@@H]3CCCN(c4cccc(F)c4)C3=O)CC2)ccn1 ZINC000772336970 1079829721 /nfs/dbraw/zinc/82/97/21/1079829721.db2.gz XUPCNHXDAJIAJB-HXUWFJFHSA-N 0 0 412.465 2.358 20 0 HEADRN COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)on1 ZINC000772338905 1079830780 /nfs/dbraw/zinc/83/07/80/1079830780.db2.gz CQEHMKGKUVYKTB-LBPRGKRZSA-N 0 0 413.386 2.390 20 0 HEADRN COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)on1 ZINC000772338903 1079830848 /nfs/dbraw/zinc/83/08/48/1079830848.db2.gz CQEHMKGKUVYKTB-GFCCVEGCSA-N 0 0 413.386 2.390 20 0 HEADRN Cn1cc(N2CCC[C@H](OC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3c3ncccn3)C2=O)cn1 ZINC000772338527 1079831411 /nfs/dbraw/zinc/83/14/11/1079831411.db2.gz CEDPZABJVIPVJN-YSHGAJCASA-N 0 0 424.505 2.086 20 0 HEADRN O=S(=O)(c1cnc2n1CCC2)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000772341992 1079831835 /nfs/dbraw/zinc/83/18/35/1079831835.db2.gz MDIQNDPRSSCXNW-UHFFFAOYSA-N 0 0 422.379 2.036 20 0 HEADRN COC(=O)c1oc([C@H](C)OC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1C ZINC000767372565 1079832439 /nfs/dbraw/zinc/83/24/39/1079832439.db2.gz IGTMWWFIIKUFLY-YBTHPKLGSA-N 0 0 400.387 2.347 20 0 HEADRN CCS(=O)(=O)C1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)CC1 ZINC000767373043 1079832573 /nfs/dbraw/zinc/83/25/73/1079832573.db2.gz HMJJPFTVLLNJSI-CQSZACIVSA-N 0 0 424.510 2.304 20 0 HEADRN CCS(=O)(=O)C1CCN(C(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000767372492 1079832936 /nfs/dbraw/zinc/83/29/36/1079832936.db2.gz CBPPHPCHBZUVLX-UHFFFAOYSA-N 0 0 422.547 2.461 20 0 HEADRN COCCOC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000772343315 1079833485 /nfs/dbraw/zinc/83/34/85/1079833485.db2.gz HRLLVVYJVDIQRU-IAGOWNOFSA-N 0 0 407.467 2.140 20 0 HEADRN CCS[C@@H](C)c1noc(COC(=O)c2cnn(CC(=O)NC3CCCC3)c2)n1 ZINC000772344382 1079834065 /nfs/dbraw/zinc/83/40/65/1079834065.db2.gz AUVBKCBVJTULMQ-LBPRGKRZSA-N 0 0 407.496 2.496 20 0 HEADRN CN(CC(=O)NCc1ccco1)S(=O)(=O)c1cccc(Br)c1F ZINC000798424418 1079834497 /nfs/dbraw/zinc/83/44/97/1079834497.db2.gz NRCWYODCAZUJJF-UHFFFAOYSA-N 0 0 405.245 2.118 20 0 HEADRN NC(=O)c1cc(OC2CCN(CC(=O)Nc3ccc(OC(F)F)cc3)CC2)ccn1 ZINC000772347834 1079835933 /nfs/dbraw/zinc/83/59/33/1079835933.db2.gz UFWQTWSPYXANMT-UHFFFAOYSA-N 0 0 420.416 2.264 20 0 HEADRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cnn(CC(=O)NC3CCCC3)c2)cc1 ZINC000772347520 1079836001 /nfs/dbraw/zinc/83/60/01/1079836001.db2.gz NBKDNWJZIFPRKM-CQSZACIVSA-N 0 0 414.462 2.135 20 0 HEADRN CN(C)C(=O)Nc1ccc(C(=O)OCC(=O)Nc2nnc(C3CC3)o2)c(Cl)c1 ZINC000772347362 1079836606 /nfs/dbraw/zinc/83/66/06/1079836606.db2.gz SQJBIQJQYIKNLN-UHFFFAOYSA-N 0 0 407.814 2.489 20 0 HEADRN Cc1c(-c2cc(COC(=O)c3cccc(S(=O)(=O)NC(C)C)c3)on2)cnn1C ZINC000767412528 1079837661 /nfs/dbraw/zinc/83/76/61/1079837661.db2.gz UIMVYZPOPSUGHE-UHFFFAOYSA-N 0 0 418.475 2.427 20 0 HEADRN CCCCCn1cc(CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)n1 ZINC000767414507 1079838782 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409.078 2.496 20 0 HEADRN Cc1cc(-n2c(C)cc(C(=O)COC(=O)CNc3ccc(C(N)=O)cc3)c2C)no1 ZINC000786271721 1080519736 /nfs/dbraw/zinc/51/97/36/1080519736.db2.gz IOXKXUQJDYTMGS-UHFFFAOYSA-N 0 0 410.430 2.327 20 0 HEADRN CC(=O)N[C@@H](CC(=O)O[C@@H](C)C(=O)NCC(=O)c1ccccc1)c1cccs1 ZINC000786272892 1080520294 /nfs/dbraw/zinc/52/02/94/1080520294.db2.gz ANGKOIAQQRAFON-BBRMVZONSA-N 0 0 402.472 2.246 20 0 HEADRN CC(=O)N[C@H](CC(=O)O[C@H](C)C(=O)NCC(=O)c1ccccc1)c1cccs1 ZINC000786272894 1080520460 /nfs/dbraw/zinc/52/04/60/1080520460.db2.gz ANGKOIAQQRAFON-CZUORRHYSA-N 0 0 402.472 2.246 20 0 HEADRN O=C(c1ccc(N2CCCS2(=O)=O)cc1Cl)N1CCS[C@H]2COCC[C@@H]21 ZINC000768373002 1080520528 /nfs/dbraw/zinc/52/05/28/1080520528.db2.gz FORIEAHDJZLWGL-HOTGVXAUSA-N 0 0 416.952 2.226 20 0 HEADRN COc1ccc(CC(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)cc1 ZINC000768343205 1080522061 /nfs/dbraw/zinc/52/20/61/1080522061.db2.gz DHXMTVNAQHEEAZ-UHFFFAOYSA-N 0 0 403.866 2.348 20 0 HEADRN C[C@H](OC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)C(=O)NCC(=O)c1ccccc1 ZINC000786274412 1080522147 /nfs/dbraw/zinc/52/21/47/1080522147.db2.gz GOTXMIUQEKEXIH-MGPUTAFESA-N 0 0 424.453 2.349 20 0 HEADRN CN1CCOc2ccc(NC(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)cc21 ZINC000746575129 1080522603 /nfs/dbraw/zinc/52/26/03/1080522603.db2.gz WBUQVHVENCUHIU-UHFFFAOYSA-N 0 0 405.451 2.347 20 0 HEADRN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Nc2ncccn2)cc1 ZINC000768345938 1080522829 /nfs/dbraw/zinc/52/28/29/1080522829.db2.gz WXRHXBAMKPEYAF-UHFFFAOYSA-N 0 0 409.427 2.003 20 0 HEADRN CC(=O)CCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000768346161 1080523303 /nfs/dbraw/zinc/52/33/03/1080523303.db2.gz IXLISEHVBCJKLH-OKILXGFUSA-N 0 0 416.927 2.189 20 0 HEADRN CN(CCOC(C)(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000768346748 1080523354 /nfs/dbraw/zinc/52/33/54/1080523354.db2.gz AGPPGVFOQGFKAS-UHFFFAOYSA-N 0 0 418.943 2.248 20 0 HEADRN COC(=O)CCc1cccc(NC(=O)C(=O)N2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000786276087 1080523767 /nfs/dbraw/zinc/52/37/67/1080523767.db2.gz QYVNFBULKXGYIC-UHFFFAOYSA-N 0 0 423.513 2.384 20 0 HEADRN O=C(N[C@H]1CCOC2(CCC2)C1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000768399652 1080524253 /nfs/dbraw/zinc/52/42/53/1080524253.db2.gz ZQLZPIIMRCFNII-ZDUSSCGKSA-N 0 0 407.517 2.130 20 0 HEADRN CCOC(=O)c1sc2[nH]c([C@@H](C)Sc3nnc(CC)n3N)nc(=O)c2c1C ZINC000768400680 1080525022 /nfs/dbraw/zinc/52/50/22/1080525022.db2.gz VZCUYPHGKBPKCQ-MRVPVSSYSA-N 0 0 408.509 2.191 20 0 HEADRN Cc1noc(C)c1C[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000768400554 1080525222 /nfs/dbraw/zinc/52/52/22/1080525222.db2.gz GEGFBWDMXJUCIV-SJCJKPOMSA-N 0 0 410.515 2.004 20 0 HEADRN Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000786278857 1080525120 /nfs/dbraw/zinc/52/51/20/1080525120.db2.gz KWHCWORBECQFGG-OAHLLOKOSA-N 0 0 409.494 2.474 20 0 HEADRN Cc1cc(C(=O)COC(=O)CNc2ccc(C(N)=O)cc2)c(C)n1-c1nccs1 ZINC000786279141 1080526333 /nfs/dbraw/zinc/52/63/33/1080526333.db2.gz VJAKQUGSQUOADL-UHFFFAOYSA-N 0 0 412.471 2.488 20 0 HEADRN Cc1ccc(N2CCNC2=O)cc1NC(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000786280212 1080527127 /nfs/dbraw/zinc/52/71/27/1080527127.db2.gz ZNWXPMYZYRUHED-OAHLLOKOSA-N 0 0 422.489 2.024 20 0 HEADRN COCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000786284046 1080528815 /nfs/dbraw/zinc/52/88/15/1080528815.db2.gz IGQFGXIYMZBXEA-MRXNPFEDSA-N 0 0 405.495 2.330 20 0 HEADRN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N[C@H]1CCCC2(C1)OCCO2 ZINC000768407357 1080528770 /nfs/dbraw/zinc/52/87/70/1080528770.db2.gz IHQVKJUJHDASIB-SFHVURJKSA-N 0 0 422.957 2.447 20 0 HEADRN COC(=O)c1coc(-c2csc(=NCCc3ccccn3)n2Cc2ncn(C)n2)c1 ZINC000768408664 1080529161 /nfs/dbraw/zinc/52/91/61/1080529161.db2.gz DJFDWKLOLNZPKH-UHFFFAOYSA-N 0 0 424.486 2.311 20 0 HEADRN CCOC(=O)c1sc(CNC(=O)c2ccc(F)c(S(C)(=O)=O)c2)nc1C ZINC000786284920 1080529639 /nfs/dbraw/zinc/52/96/39/1080529639.db2.gz DTXIVPHEXKTOII-UHFFFAOYSA-N 0 0 400.453 2.101 20 0 HEADRN CNS(=O)(=O)c1cccc(C(=O)O[C@H](Cc2ccc(F)c(F)c2F)C(C)=O)c1 ZINC000768375448 1080531968 /nfs/dbraw/zinc/53/19/68/1080531968.db2.gz VSMNKELTJPYLKB-OAHLLOKOSA-N 0 0 415.389 2.369 20 0 HEADRN C[C@H](OC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C)C(=O)NCC(=O)c1ccccc1 ZINC000786287762 1080532332 /nfs/dbraw/zinc/53/23/32/1080532332.db2.gz VXVHKKOOFJIZLQ-RDJZCZTQSA-N 0 0 402.491 2.344 20 0 HEADRN C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@]1(C)CC(c2ccccc2)=NO1 ZINC001626111466 1080532446 /nfs/dbraw/zinc/53/24/46/1080532446.db2.gz KQTKYOVTIWACRW-IERDGZPVSA-N 0 0 415.515 2.443 20 0 HEADRN O=C(NCc1cccc(N2CCOC2=O)c1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000786288916 1080532800 /nfs/dbraw/zinc/53/28/00/1080532800.db2.gz KQBIHFPSMPRJOL-UHFFFAOYSA-N 0 0 408.336 2.312 20 0 HEADRN C[C@H](O)C[C@H]1COCCN1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000768381015 1080534991 /nfs/dbraw/zinc/53/49/91/1080534991.db2.gz ZXISCVVLOZCWIX-RYQLBKOJSA-N 0 0 407.511 2.434 20 0 HEADRN C[C@H](OC(=O)[C@H]1CSCN1C(=O)C1CCCC1)C(=O)NCC(=O)c1ccccc1 ZINC000786289810 1080534803 /nfs/dbraw/zinc/53/48/03/1080534803.db2.gz JGXNJNDGXZVGPY-WMLDXEAASA-N 0 0 418.515 2.009 20 0 HEADRN O=C(CNc1ccc2c(c1)COC2)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000768385171 1080535907 /nfs/dbraw/zinc/53/59/07/1080535907.db2.gz QAWHTWCQVFNFGM-UHFFFAOYSA-N 0 0 414.487 2.238 20 0 HEADRN C[C@@H](OC(=O)C1CCN(CC(F)(F)F)CC1)C(=O)NCC(=O)c1ccccc1 ZINC000786291388 1080536229 /nfs/dbraw/zinc/53/62/29/1080536229.db2.gz XMCMATMXJGVUDI-CYBMUJFWSA-N 0 0 400.397 2.192 20 0 HEADRN Cc1cn2cc(NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc2n1 ZINC000768385772 1080536445 /nfs/dbraw/zinc/53/64/45/1080536445.db2.gz XCZFJORUFMTUMW-KRWDZBQOSA-N 0 0 403.483 2.247 20 0 HEADRN CCC[C@H](C)NC(=O)[C@H](C)OC(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1 ZINC000786292366 1080537730 /nfs/dbraw/zinc/53/77/30/1080537730.db2.gz ACOUWZNVBTZZNB-BBRMVZONSA-N 0 0 406.527 2.316 20 0 HEADRN C[C@H](OC(=O)CCC(=O)N1CCOc2ccccc21)C(=O)NCC(=O)c1ccccc1 ZINC000786292627 1080537824 /nfs/dbraw/zinc/53/78/24/1080537824.db2.gz QZBLYEXFIUWNFI-INIZCTEOSA-N 0 0 424.453 2.123 20 0 HEADRN CCC[C@](C)(CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000768389598 1080538190 /nfs/dbraw/zinc/53/81/90/1080538190.db2.gz MBGMHXCNQOEGAT-RDTXWAMCSA-N 0 0 418.943 2.078 20 0 HEADRN O=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)N[C@@H]1CCCC2(C1)OCCO2 ZINC000768389393 1080538632 /nfs/dbraw/zinc/53/86/32/1080538632.db2.gz OQKDRXRIDFENHC-HXUWFJFHSA-N 0 0 415.534 2.453 20 0 HEADRN C[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)NCC(=O)c1ccccc1 ZINC000786293308 1080538707 /nfs/dbraw/zinc/53/87/07/1080538707.db2.gz WGNCIQQGCKSLLF-PXNSSMCTSA-N 0 0 422.481 2.470 20 0 HEADRN Cc1noc(C)c1S(=O)(=O)NC1(C(=O)OCc2cn3ccccc3n2)CCCC1 ZINC000786294670 1080539250 /nfs/dbraw/zinc/53/92/50/1080539250.db2.gz BHTIXKXSZRVSDJ-UHFFFAOYSA-N 0 0 418.475 2.274 20 0 HEADRN Cc1nn(C)c(C)c1C(=O)NC1(C(=O)O[C@H]2CCCN(C(C)C)C2=O)CCCC1 ZINC000786295568 1080540122 /nfs/dbraw/zinc/54/01/22/1080540122.db2.gz XIDSLRZDXBAWRC-INIZCTEOSA-N 0 0 404.511 2.022 20 0 HEADRN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000772683288 1080540539 /nfs/dbraw/zinc/54/05/39/1080540539.db2.gz WCSDCZHRBBNSKA-KBPBESRZSA-N 0 0 417.514 2.347 20 0 HEADRN C/C=C/c1ccc(OCC(=O)OCc2nnnn2CC2CCOCC2)c(OC)c1 ZINC000768394538 1080540564 /nfs/dbraw/zinc/54/05/64/1080540564.db2.gz FTCRKKVNAWHBGW-ONEGZZNKSA-N 0 0 402.451 2.264 20 0 HEADRN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@H](O)c1ccc(F)cc1)C2=O ZINC000768395698 1080541226 /nfs/dbraw/zinc/54/12/26/1080541226.db2.gz RFXANTYZMBLCCJ-QTPGKHNVSA-N 0 0 405.470 2.112 20 0 HEADRN Cc1cc(NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cn(C)c1=O ZINC000768399140 1080542896 /nfs/dbraw/zinc/54/28/96/1080542896.db2.gz ORWZNGPBOXWHHZ-JLHYYAGUSA-N 0 0 415.515 2.345 20 0 HEADRN CCOc1ccnc(N2CCCN(C(=O)c3nc(C)n(-c4ccccc4)n3)CC2)n1 ZINC000768397593 1080543010 /nfs/dbraw/zinc/54/30/10/1080543010.db2.gz VUGCGIHPZFQQPP-UHFFFAOYSA-N 0 0 407.478 2.117 20 0 HEADRN O=C(N[C@@H]1CCOC2(CCC2)C1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000768397531 1080543081 /nfs/dbraw/zinc/54/30/81/1080543081.db2.gz OPUKAYZBCNQAAJ-MRXNPFEDSA-N 0 0 417.531 2.065 20 0 HEADRN CN1CCN(C(=O)[C@@H]2CCC(=O)c3ccccc32)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000786300864 1080543844 /nfs/dbraw/zinc/54/38/44/1080543844.db2.gz GHMQBOFFMATENK-CRAIPNDOSA-N 0 0 401.507 2.414 20 0 HEADRN CCOc1cccc(-c2nnc(S[C@H](C)C(=O)NC(=O)NCC(C)C)n2N)c1 ZINC000768421683 1080543924 /nfs/dbraw/zinc/54/39/24/1080543924.db2.gz VKSNOYABKWZOHF-GFCCVEGCSA-N 0 0 406.512 2.020 20 0 HEADRN CN1CCN(C(=O)[C@@H]2CCC(=O)c3ccccc32)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000786300867 1080543916 /nfs/dbraw/zinc/54/39/16/1080543916.db2.gz GHMQBOFFMATENK-MAUKXSAKSA-N 0 0 401.507 2.414 20 0 HEADRN Cn1cc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCCCCC4)cc3)C2=O)cn1 ZINC000768422573 1080544902 /nfs/dbraw/zinc/54/49/02/1080544902.db2.gz FIHYCXMBKNYOSF-QFIPXVFZSA-N 0 0 424.505 2.206 20 0 HEADRN CCS[C@H]1CCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000768422481 1080544950 /nfs/dbraw/zinc/54/49/50/1080544950.db2.gz QTRDETHDGOXNHO-DZKIICNBSA-N 0 0 401.573 2.442 20 0 HEADRN CCOc1cccc(-c2nnc(SCc3nn4c(nc(C)cc4=O)s3)n2N)c1 ZINC000768424319 1080546275 /nfs/dbraw/zinc/54/62/75/1080546275.db2.gz PNBLALZDALHIBS-UHFFFAOYSA-N 0 0 415.504 2.123 20 0 HEADRN Cn1cc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccccc3Cc3ccccc3)C2=O)cn1 ZINC000768426077 1080547016 /nfs/dbraw/zinc/54/70/16/1080547016.db2.gz YWJMLJNPCRSGGT-HSZRJFAPSA-N 0 0 417.469 2.417 20 0 HEADRN CS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)ccc1F ZINC000786306901 1080547393 /nfs/dbraw/zinc/54/73/93/1080547393.db2.gz FACBWDUOSGSCIC-DZGCQCFKSA-N 0 0 413.492 2.255 20 0 HEADRN C[C@@H](OC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)C(=O)NCC(=O)c1ccccc1 ZINC000786305153 1080547415 /nfs/dbraw/zinc/54/74/15/1080547415.db2.gz ZKIVUDSAIQALPM-DGCLKSJQSA-N 0 0 423.391 2.464 20 0 HEADRN COC(=O)c1ccc(NC(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)cn1 ZINC000768427038 1080547494 /nfs/dbraw/zinc/54/74/94/1080547494.db2.gz GUBGIAIUXCWSDT-AGUYFDCRSA-N 0 0 417.462 2.269 20 0 HEADRN Cc1ccccc1Cc1nc(CSc2nnc(-c3n[nH]c4c3CCC4)n2N)no1 ZINC000768427230 1080547569 /nfs/dbraw/zinc/54/75/69/1080547569.db2.gz OATBJPRQEYQEQI-UHFFFAOYSA-N 0 0 408.491 2.445 20 0 HEADRN Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000786263086 1080547775 /nfs/dbraw/zinc/54/77/75/1080547775.db2.gz YBZLTFJITYCUPA-UHFFFAOYSA-N 0 0 420.535 2.490 20 0 HEADRN C[C@@H](CNC(=O)[C@@H](C)Sc1nnc(-c2n[nH]c3c2CCC3)n1N)c1ccccc1 ZINC000768426969 1080547837 /nfs/dbraw/zinc/54/78/37/1080547837.db2.gz LLEVMIAKJQHOGR-QWHCGFSZSA-N 0 0 411.535 2.271 20 0 HEADRN Nn1c(SCc2nc(CCc3ccccc3)no2)nnc1-c1n[nH]c2c1CCC2 ZINC000768426350 1080548344 /nfs/dbraw/zinc/54/83/44/1080548344.db2.gz FCAZTRUCDQQHTR-UHFFFAOYSA-N 0 0 408.491 2.331 20 0 HEADRN CN(CC(=O)N[C@H]1CN(c2ccccc2)C1=O)c1ccc(C(F)(F)F)cc1C=O ZINC000768426536 1080548349 /nfs/dbraw/zinc/54/83/49/1080548349.db2.gz PWBRZYIXRHEFJO-INIZCTEOSA-N 0 0 405.376 2.486 20 0 HEADRN COC(=O)CCc1cccc(NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000786265270 1080548541 /nfs/dbraw/zinc/54/85/41/1080548541.db2.gz YFFMATBDBMYUPB-UHFFFAOYSA-N 0 0 400.431 2.178 20 0 HEADRN CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)NCC(=O)c2ccccc2)c1C ZINC000786266013 1080548565 /nfs/dbraw/zinc/54/85/65/1080548565.db2.gz CPOFAMBHIQEMOZ-AWEZNQCLSA-N 0 0 400.431 2.353 20 0 HEADRN Cc1ccc([C@H](C)NC(=O)CSc2nnc(-c3n[nH]c4c3CCC4)n2N)cc1C ZINC000768428150 1080548679 /nfs/dbraw/zinc/54/86/79/1080548679.db2.gz LWFVYOPJYGSWSB-ZDUSSCGKSA-N 0 0 411.535 2.457 20 0 HEADRN COC(=O)c1cc(C(=O)OCc2csc(-c3c(C)c(C)nn(C)c3=O)n2)ccn1 ZINC000786265511 1080548582 /nfs/dbraw/zinc/54/85/82/1080548582.db2.gz REVPFDQJUMFFFC-UHFFFAOYSA-N 0 0 414.443 2.059 20 0 HEADRN CCOc1ccc(NC(=O)CCSc2nnc(-c3n[nH]c4c3CCC4)n2N)cc1 ZINC000768427898 1080549026 /nfs/dbraw/zinc/54/90/26/1080549026.db2.gz RAQPSQSODWSOFK-UHFFFAOYSA-N 0 0 413.507 2.390 20 0 HEADRN O=C(NCc1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000786266917 1080549112 /nfs/dbraw/zinc/54/91/12/1080549112.db2.gz HGFIGMVLWDLKIX-UHFFFAOYSA-N 0 0 406.364 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C[C@@H](OC(=O)CCNS(=O)(=O)c1cccnc1)c1nc(Cc2ccccc2)no1 ZINC000744690462 1077544057 /nfs/dbraw/zinc/54/40/57/1077544057.db2.gz CQQJXIZOSNHZJT-CQSZACIVSA-N 0 0 416.459 2.028 20 0 HEADRN C[C@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)c1cccc(-n2cccn2)c1 ZINC000744691008 1077544446 /nfs/dbraw/zinc/54/44/46/1077544446.db2.gz OEGVWDCJGYUDEZ-HNNXBMFYSA-N 0 0 423.498 2.130 20 0 HEADRN CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CCCCN2c2ncccn2)s1 ZINC000744691918 1077544700 /nfs/dbraw/zinc/54/47/00/1077544700.db2.gz OFJKESMNBLJOEA-BBRMVZONSA-N 0 0 416.503 2.348 20 0 HEADRN C[C@H](OC(=O)[C@@H]1CCCCN1c1ncccn1)C(=O)NC(=O)Nc1ccccc1F ZINC000744692754 1077545156 /nfs/dbraw/zinc/54/51/56/1077545156.db2.gz SZOIIRCGGPZLOB-BBRMVZONSA-N 0 0 415.425 2.255 20 0 HEADRN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[C@H]2CCCCN2c2ncccn2)c1C ZINC000744693682 1077546089 /nfs/dbraw/zinc/54/60/89/1077546089.db2.gz YEGNMDGIDGEZNK-HUUCEWRRSA-N 0 0 414.462 2.382 20 0 HEADRN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(CC)C1 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/nfs/dbraw/zinc/87/39/93/1078873993.db2.gz GUPGIHPGGTUNKI-UHFFFAOYSA-N 0 0 405.495 2.399 20 0 HEADRN COCC[C@@]1(NS(=O)(=O)c2ccc(Br)c(C(C)=O)c2)CCOC1 ZINC000770474632 1078874179 /nfs/dbraw/zinc/87/41/79/1078874179.db2.gz MHBOPSHXNSLAME-OAHLLOKOSA-N 0 0 406.298 2.126 20 0 HEADRN C[C@@H]1NC(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)=NN(c2ccccc2)C1=O ZINC000746358420 1078874418 /nfs/dbraw/zinc/87/44/18/1078874418.db2.gz XAWCFTXFZPEQEY-JTQLQIEISA-N 0 0 411.409 2.459 20 0 HEADRN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000746338686 1078865152 /nfs/dbraw/zinc/86/51/52/1078865152.db2.gz GKBJAYCOHAKVQL-STQMWFEESA-N 0 0 422.448 2.191 20 0 HEADRN CC(C)Cc1ccc([C@H](C)NC(=O)CN2C(=O)N[C@](C)(c3cnn(C)c3)C2=O)cc1 ZINC000770464226 1078865298 /nfs/dbraw/zinc/86/52/98/1078865298.db2.gz MDXXRHRJZTVFIQ-OYHNWAKOSA-N 0 0 411.506 2.263 20 0 HEADRN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000746339886 1078865532 /nfs/dbraw/zinc/86/55/32/1078865532.db2.gz UABDFNOPHKRDNN-MJBXVCDLSA-N 0 0 403.401 2.430 20 0 HEADRN O=C(CN1C(=O)NC2(CCC3(CC2)OCCO3)C1=O)Nc1cccc2ccccc21 ZINC000770463804 1078865535 /nfs/dbraw/zinc/86/55/35/1078865535.db2.gz KEYNKNBQVDGXOS-UHFFFAOYSA-N 0 0 409.442 2.386 20 0 HEADRN O=C1NC2(CCC3(CC2)OCCO3)C(=O)N1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000770464334 1078865889 /nfs/dbraw/zinc/86/58/89/1078865889.db2.gz NQYZKBHLTUEZMX-UHFFFAOYSA-N 0 0 424.453 2.389 20 0 HEADRN CCOC(=O)N[C@@H]1CCCN(C(=O)c2cccnc2I)C1 ZINC000770477199 1078874831 /nfs/dbraw/zinc/87/48/31/1078874831.db2.gz ORTXCCQLXRUWNE-SNVBAGLBSA-N 0 0 403.220 2.037 20 0 HEADRN O=C(CN1C(=O)NC2(CCC3(CC2)OCCO3)C1=O)Nc1cc(Cl)ccc1F ZINC000770466311 1078866125 /nfs/dbraw/zinc/86/61/25/1078866125.db2.gz YEOHHMVMADAGJC-UHFFFAOYSA-N 0 0 411.817 2.025 20 0 HEADRN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000746339491 1078866146 /nfs/dbraw/zinc/86/61/46/1078866146.db2.gz MYQNEZXUQCLFNH-ZDUSSCGKSA-N 0 0 411.384 2.030 20 0 HEADRN Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cnc(N(C)C)cn3)C2=O)cc1 ZINC000770468209 1078866417 /nfs/dbraw/zinc/86/64/17/1078866417.db2.gz GMLHBWTXHCNVEA-MHWRWJLKSA-N 0 0 411.487 2.317 20 0 HEADRN CC(C)Oc1cc(CNC(=O)C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)ccn1 ZINC000804267145 1078867741 /nfs/dbraw/zinc/86/77/41/1078867741.db2.gz WBARMVDDGRMOOS-MRXNPFEDSA-N 0 0 420.510 2.001 20 0 HEADRN COc1cc2c(cc1CNC(=O)N1CCC[C@H]([C@@H](O)c3nccn3C)C1)O[C@H](C)C2 ZINC000746348139 1078868481 /nfs/dbraw/zinc/86/84/81/1078868481.db2.gz WCZOAIAAIVRBMA-QEEYODRMSA-N 0 0 414.506 2.407 20 0 HEADRN COc1cc2c(cc1CNC(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)O[C@H](C)C2 ZINC000746348205 1078868768 /nfs/dbraw/zinc/86/87/68/1078868768.db2.gz WEDHESXFHXGCPQ-RISCZKNCSA-N 0 0 415.412 2.323 20 0 HEADRN Cc1cc(C(=O)O[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)c(C(F)(F)F)o1 ZINC000770476636 1078875118 /nfs/dbraw/zinc/87/51/18/1078875118.db2.gz HGZYFXQHHVCXLD-ZYHUDNBSSA-N 0 0 411.398 2.092 20 0 HEADRN COc1ccc(-c2nc(COC(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)no2)cc1 ZINC000770501884 1078868882 /nfs/dbraw/zinc/86/88/82/1078868882.db2.gz GEWBJKRBBJZDJS-NRFANRHFSA-N 0 0 422.397 2.157 20 0 HEADRN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 ZINC000770502892 1078869197 /nfs/dbraw/zinc/86/91/97/1078869197.db2.gz FQVJRFFMNXBNKZ-WHEQGISXSA-N 0 0 423.425 2.128 20 0 HEADRN C[C@@H](N1CCN(C(=O)c2cccnc2I)CC1)C(F)(F)F ZINC000770502489 1078869520 /nfs/dbraw/zinc/86/95/20/1078869520.db2.gz KJLJTIAMTROLOZ-SECBINFHSA-N 0 0 413.181 2.395 20 0 HEADRN CCCCn1cc(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c(C)n1 ZINC000770503727 1078869558 /nfs/dbraw/zinc/86/95/58/1078869558.db2.gz YEKDJZGLGWKADP-UHFFFAOYSA-N 0 0 408.405 2.182 20 0 HEADRN Cc1ccc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1N1CCOC1=O ZINC000746351208 1078869678 /nfs/dbraw/zinc/86/96/78/1078869678.db2.gz RIDVAOKBVWWPFN-UHFFFAOYSA-N 0 0 421.461 2.244 20 0 HEADRN CCOC(=O)c1ccc(CNC(=O)c2cccnc2I)o1 ZINC000770503467 1078869891 /nfs/dbraw/zinc/86/98/91/1078869891.db2.gz ANKPEWCCDVSVSV-UHFFFAOYSA-N 0 0 400.172 2.386 20 0 HEADRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C)c(N3CCOC3=O)c2)cc1 ZINC000746351835 1078870320 /nfs/dbraw/zinc/87/03/20/1078870320.db2.gz AOIQJRRHWXZFEQ-UHFFFAOYSA-N 0 0 417.487 2.431 20 0 HEADRN C[C@]1(c2cccc(C(=O)OCC(=O)N[C@@H](c3ccccc3)C3CC3)c2)NC(=O)NC1=O ZINC000770505579 1078870524 /nfs/dbraw/zinc/87/05/24/1078870524.db2.gz LGSOTPAQSOFLSJ-WMZHIEFXSA-N 0 0 421.453 2.166 20 0 HEADRN COc1ccc2c(COC(=O)c3cccc([C@@]4(C)NC(=O)NC4=O)c3)cc(=O)oc2c1 ZINC000770506797 1078870808 /nfs/dbraw/zinc/87/08/08/1078870808.db2.gz QAQANROBNGWQPK-JOCHJYFZSA-N 0 0 422.393 2.213 20 0 HEADRN CN(Cc1ccn(-c2ccccc2)n1)C(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000746365011 1078876431 /nfs/dbraw/zinc/87/64/31/1078876431.db2.gz XSZWFEQBCHNZGW-UHFFFAOYSA-N 0 0 415.457 2.109 20 0 HEADRN O=C(NCc1cccc(C(=O)NCc2ccco2)c1)C(=O)Nc1ccnn1CC1CC1 ZINC000746364845 1078876467 /nfs/dbraw/zinc/87/64/67/1078876467.db2.gz MYTCATQYFIPKOR-UHFFFAOYSA-N 0 0 421.457 2.071 20 0 HEADRN CCOC(=O)C1CCN(C(=O)CN(C)C(=O)/C=C/c2ccc(O)c(OCC)c2)CC1 ZINC000770484274 1078876621 /nfs/dbraw/zinc/87/66/21/1078876621.db2.gz BRMCTBUNBZQTEV-VQHVLOKHSA-N 0 0 418.490 2.064 20 0 HEADRN C[C@@H](c1ccccc1)N1CCN(C(=O)COC(=O)CCC(=O)c2ccccn2)CC1 ZINC000770483290 1078876663 /nfs/dbraw/zinc/87/66/63/1078876663.db2.gz MIZVMLMYKUUJNA-SFHVURJKSA-N 0 0 409.486 2.493 20 0 HEADRN C[C@H](OC(=O)CCC(=O)c1ccccn1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000770483870 1078876930 /nfs/dbraw/zinc/87/69/30/1078876930.db2.gz RODDQALPOYNFAD-ZDUSSCGKSA-N 0 0 404.444 2.231 20 0 HEADRN CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cccnc2I)C1 ZINC000770484326 1078877233 /nfs/dbraw/zinc/87/72/33/1078877233.db2.gz CESYWMHWEXBUSO-LBPRGKRZSA-N 0 0 415.275 2.455 20 0 HEADRN CCCC(=O)NC[C@H]1CCCN(C(=O)c2cccnc2I)C1 ZINC000770484323 1078877254 /nfs/dbraw/zinc/87/72/54/1078877254.db2.gz CESYWMHWEXBUSO-GFCCVEGCSA-N 0 0 415.275 2.455 20 0 HEADRN COC(=O)C1=NOC2(C1)CCN(C(=O)Nc1ccc(CN(C)C(=O)OC)cc1)CC2 ZINC000770486340 1078877800 /nfs/dbraw/zinc/87/78/00/1078877800.db2.gz XNUFDXRTPZPVCU-UHFFFAOYSA-N 0 0 418.450 2.201 20 0 HEADRN CN(CCNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000053643331 1078878583 /nfs/dbraw/zinc/87/85/83/1078878583.db2.gz BGVVSWMNQMDCAA-LJQANCHMSA-N 0 0 417.531 2.010 20 0 HEADRN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CCc2cccc(C)c2)CC1 ZINC000053703921 1078878608 /nfs/dbraw/zinc/87/86/08/1078878608.db2.gz SVOLDYSJQHIKJH-UHFFFAOYSA-N 0 0 405.520 2.456 20 0 HEADRN O=C(/C=C/c1cncc(O)c1)NCc1csc(NC(=O)/C=C/c2cncc(O)c2)n1 ZINC000770490790 1078878741 /nfs/dbraw/zinc/87/87/41/1078878741.db2.gz QIHQKCSSPJTTOO-ZPUQHVIOSA-N 0 0 423.454 2.326 20 0 HEADRN CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2ccc3nsnc3c2)CC1 ZINC000770552345 1078879331 /nfs/dbraw/zinc/87/93/31/1078879331.db2.gz KDHWDQCYINPZSY-UHFFFAOYSA-N 0 0 405.524 2.364 20 0 HEADRN CCOC(=O)N1CC[C@@H](NC(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)C1 ZINC000770534836 1078887731 /nfs/dbraw/zinc/88/77/31/1078887731.db2.gz HZDIIIHVHPYTQD-LJQANCHMSA-N 0 0 416.522 2.264 20 0 HEADRN CC(C)[C@@](C)(O)C(=O)OCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000770535004 1078887753 /nfs/dbraw/zinc/88/77/53/1078887753.db2.gz FYBYNBSMZFLHCB-LJQANCHMSA-N 0 0 400.878 2.074 20 0 HEADRN COc1ccc(NCc2ccccc2OCC(=O)NCC2CC2)cc1-n1nnnc1C ZINC000770552540 1078879983 /nfs/dbraw/zinc/87/99/83/1078879983.db2.gz IXNPQSMUGMKCKB-UHFFFAOYSA-N 0 0 422.489 2.496 20 0 HEADRN NS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)nc1 ZINC000770552678 1078880007 /nfs/dbraw/zinc/88/00/07/1078880007.db2.gz CZMMEAYJYSVRSA-GOSISDBHSA-N 0 0 417.512 2.167 20 0 HEADRN CN(Cc1csc(Br)c1)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000746372889 1078880206 /nfs/dbraw/zinc/88/02/06/1078880206.db2.gz JEFQUWNQFLJJKQ-ZDUSSCGKSA-N 0 0 411.325 2.251 20 0 HEADRN CN(CCCOc1cccc(Cl)c1)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000746372288 1078880494 /nfs/dbraw/zinc/88/04/94/1078880494.db2.gz FQXVYEFNVUIYNE-MRXNPFEDSA-N 0 0 404.898 2.350 20 0 HEADRN COc1ccc([C@H]2CCCN2CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c(OC)c1 ZINC000746373851 1078880528 /nfs/dbraw/zinc/88/05/28/1078880528.db2.gz BZMUVGAPQHWJTN-VQIMIIECSA-N 0 0 412.490 2.150 20 0 HEADRN CCc1c(C(=O)OCC(=O)N2CCC[C@H](NC(C)=O)C2)cnn1-c1ccccc1C ZINC000770557869 1078880786 /nfs/dbraw/zinc/88/07/86/1078880786.db2.gz CMMZBDVQQAFQCJ-KRWDZBQOSA-N 0 0 412.490 2.027 20 0 HEADRN CN(Cc1cccc(Br)c1)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000746373628 1078880891 /nfs/dbraw/zinc/88/08/91/1078880891.db2.gz YPKVBEAFJBUXQW-OAHLLOKOSA-N 0 0 405.296 2.190 20 0 HEADRN C[C@@H](NC(=O)CN1C(=O)c2cccnc2S1(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000770519207 1078881471 /nfs/dbraw/zinc/88/14/71/1078881471.db2.gz GMOSUSFROVTKBY-SECBINFHSA-N 0 0 414.270 2.410 20 0 HEADRN C[C@H](OC(=O)c1ccc(OC(F)(F)F)c(N)c1)C(=O)NC(=O)NCC(F)(F)F ZINC000770518937 1078881499 /nfs/dbraw/zinc/88/14/99/1078881499.db2.gz HZEUXESHVMPMGC-LURJTMIESA-N 0 0 417.262 2.101 20 0 HEADRN CCOC(=O)N1CC[C@H](NC(=O)N[C@H](CO)c2cccc(Br)c2)C1 ZINC000770518837 1078881792 /nfs/dbraw/zinc/88/17/92/1078881792.db2.gz IJIXFBZWZUKCEA-UONOGXRCSA-N 0 0 400.273 2.013 20 0 HEADRN CCCN(C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000766347162 1078881850 /nfs/dbraw/zinc/88/18/50/1078881850.db2.gz OJMLGDSYCLVPJH-MOPGFXCFSA-N 0 0 422.547 2.461 20 0 HEADRN CN(Cc1ccc(Br)cc1)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000746375957 1078882115 /nfs/dbraw/zinc/88/21/15/1078882115.db2.gz ZYDILBKNKUVKOR-OAHLLOKOSA-N 0 0 405.296 2.190 20 0 HEADRN COc1ccc2c(c1)nc(CNC(=O)NC[C@H](O)c1cc(OC)cc(OC)c1)n2C ZINC000770560927 1078883161 /nfs/dbraw/zinc/88/31/61/1078883161.db2.gz LBFPSAFZOFTEJH-IBGZPJMESA-N 0 0 414.462 2.132 20 0 HEADRN CCOC(=O)N1CC[C@H](NC(=O)N2CCC(Oc3c(OC)cccc3OC)CC2)C1 ZINC000770522607 1078883561 /nfs/dbraw/zinc/88/35/61/1078883561.db2.gz WREGDVGFEZDXBM-HNNXBMFYSA-N 0 0 421.494 2.487 20 0 HEADRN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1cc(Cl)ccn1 ZINC000770534600 1078888169 /nfs/dbraw/zinc/88/81/69/1078888169.db2.gz VTKSWYRCLAXDDN-UHFFFAOYSA-N 0 0 423.922 2.005 20 0 HEADRN C[C@H](C(=O)OCC(=O)N(C)Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000145024481 1078883604 /nfs/dbraw/zinc/88/36/04/1078883604.db2.gz SKIQXUGNXBIZFV-CYBMUJFWSA-N 0 0 411.426 2.329 20 0 HEADRN CN(CCc1ccc(Br)cc1)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000746378828 1078883788 /nfs/dbraw/zinc/88/37/88/1078883788.db2.gz XABKRJWTXJGPAB-MRXNPFEDSA-N 0 0 419.323 2.232 20 0 HEADRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H]1CCN(C(=O)OCc3ccccc3)C1)CC2 ZINC000770523615 1078883943 /nfs/dbraw/zinc/88/39/43/1078883943.db2.gz TZQHHLTXDADTPI-HSALFYBXSA-N 0 0 416.518 2.424 20 0 HEADRN COc1cc(CNc2ccc(-n3nccn3)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000770528931 1078884983 /nfs/dbraw/zinc/88/49/83/1078884983.db2.gz FBZZRGIBXVISSD-UHFFFAOYSA-N 0 0 423.473 2.126 20 0 HEADRN C[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000770530094 1078885318 /nfs/dbraw/zinc/88/53/18/1078885318.db2.gz UKOHAGKFXMNVJG-KKUMJFAQSA-N 0 0 419.588 2.102 20 0 HEADRN C[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000770530096 1078885339 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1079338707 /nfs/dbraw/zinc/33/87/07/1079338707.db2.gz LYLPKTPNTRDYGH-HWPZZCPQSA-N 0 0 401.246 2.199 20 0 HEADRN CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000771429546 1079339089 /nfs/dbraw/zinc/33/90/89/1079339089.db2.gz RQWIVSQDFULGQW-GFCCVEGCSA-N 0 0 401.419 2.304 20 0 HEADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)NCCC2(O)CCOCC2)cc1 ZINC000804331759 1079339202 /nfs/dbraw/zinc/33/92/02/1079339202.db2.gz SWQIVTBTFOSYMK-HNNXBMFYSA-N 0 0 410.312 2.330 20 0 HEADRN COCCOc1cccc(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766757906 1079339219 /nfs/dbraw/zinc/33/92/19/1079339219.db2.gz PIZNDFWUBMAMKX-AZUAARDMSA-N 0 0 402.495 2.243 20 0 HEADRN O=S(=O)(NCc1cccc(COCc2ccco2)c1)N1CCC2(CC1)OCCO2 ZINC000766759359 1079340074 /nfs/dbraw/zinc/34/00/74/1079340074.db2.gz LRYNROHPPKIIGM-UHFFFAOYSA-N 0 0 422.503 2.170 20 0 HEADRN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)OC[C@@H]2OCCc3ccccc32)C1=O ZINC000771432737 1079340226 /nfs/dbraw/zinc/34/02/26/1079340226.db2.gz YWYWJRWTENVQIL-WMZHIEFXSA-N 0 0 424.453 2.319 20 0 HEADRN O=C(NC[C@@]1(O)CCc2ccccc21)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000771434023 1079341171 /nfs/dbraw/zinc/34/11/71/1079341171.db2.gz KYDGEOHRIKKDEV-SZNDQCEHSA-N 0 0 401.413 2.203 20 0 HEADRN Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)NCc2cnn(Cc3ccccc3)c2)cn1 ZINC000766760763 1079343699 /nfs/dbraw/zinc/34/36/99/1079343699.db2.gz FIWSWGLZNQUWFS-NHCUHLMSSA-N 0 0 408.506 2.463 20 0 HEADRN Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)NCc2ccc(Cn3cccn3)cc2)cn1 ZINC000766760644 1079344162 /nfs/dbraw/zinc/34/41/62/1079344162.db2.gz AECNEUOQFXUYAK-NHCUHLMSSA-N 0 0 408.506 2.463 20 0 HEADRN Cc1c(C(=O)NOCC(F)(F)F)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766762076 1079344659 /nfs/dbraw/zinc/34/46/59/1079344659.db2.gz INBQYSDRXLCKCI-UHFFFAOYSA-N 0 0 407.393 2.382 20 0 HEADRN CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CCC2(CC(C(=O)OC)=NO2)CC1 ZINC000771465159 1079347254 /nfs/dbraw/zinc/34/72/54/1079347254.db2.gz PIRQGEZOSYEESS-LJQANCHMSA-N 0 0 411.499 2.238 20 0 HEADRN COc1ccccc1C(=O)NCC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000771445865 1079347633 /nfs/dbraw/zinc/34/76/33/1079347633.db2.gz OXIRPNNLKJMJEZ-CABCVRRESA-N 0 0 405.495 2.281 20 0 HEADRN C[C@@H]1CN(C(=O)COC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C[C@H](C)O1 ZINC000766765770 1079347666 /nfs/dbraw/zinc/34/76/66/1079347666.db2.gz DWIBUFGRJNYZBZ-SCTDSRPQSA-N 0 0 418.490 2.214 20 0 HEADRN C[C@@H]1CN(C(=O)COC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C[C@H](C)O1 ZINC000766765773 1079347703 /nfs/dbraw/zinc/34/77/03/1079347703.db2.gz DWIBUFGRJNYZBZ-ZIFCJYIRSA-N 0 0 418.490 2.214 20 0 HEADRN Cc1ccc(CCC(=O)NCC(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1 ZINC000749309079 1079349097 /nfs/dbraw/zinc/34/90/97/1079349097.db2.gz JHLZRTNUEIANRD-UHFFFAOYSA-N 0 0 407.470 2.224 20 0 HEADRN Cc1ccc(N(C)[C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N(C)C)nc3)C2)cc1 ZINC000771467801 1079347975 /nfs/dbraw/zinc/34/79/75/1079347975.db2.gz CJBIUEGGTKSAJW-IBGZPJMESA-N 0 0 416.547 2.381 20 0 HEADRN Cn1cc([C@H]2[C@H](C(=O)NCC(=O)c3cccc(F)c3F)CC(=O)N2C(C)(C)C)cn1 ZINC001169635897 1079350066 /nfs/dbraw/zinc/35/00/66/1079350066.db2.gz JRXNLJFVIVLMOX-KUHUBIRLSA-N 0 0 418.444 2.386 20 0 HEADRN C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)nc2C(F)(F)F)C(=O)N1c1cnn(C)c1 ZINC000766768832 1079350180 /nfs/dbraw/zinc/35/01/80/1079350180.db2.gz XFNSFFMTHHJGIL-GZMMTYOYSA-N 0 0 401.776 2.411 20 0 HEADRN O=C(OCc1ccccc1)N1CCC[C@H](C(=O)N2CCO[C@@H](c3ncon3)C2)C1 ZINC000771471505 1079350438 /nfs/dbraw/zinc/35/04/38/1079350438.db2.gz BIJJKQGLUIGUPH-DLBZAZTESA-N 0 0 400.435 2.018 20 0 HEADRN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CCO[C@H](c2ncon2)C1 ZINC000771473488 1079351634 /nfs/dbraw/zinc/35/16/34/1079351634.db2.gz NJDDHRIAOYKJIA-YCPHGPKFSA-N 0 0 404.423 2.233 20 0 HEADRN CNC(=O)[C@H](NC(=O)COC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000766771384 1079351846 /nfs/dbraw/zinc/35/18/46/1079351846.db2.gz NZVDNGCSPSHWKF-IQUTYRLHSA-N 0 0 420.387 2.354 20 0 HEADRN O=C(Nc1ccc(O)c(C(=O)N2CCO[C@@H](c3ncon3)C2)c1)OCC(F)(F)F ZINC000771473418 1079352092 /nfs/dbraw/zinc/35/20/92/1079352092.db2.gz LZXXGEVRCPHVKS-GFCCVEGCSA-N 0 0 416.312 2.100 20 0 HEADRN CSc1nnc(-c2noc(-c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)n2)s1 ZINC000771475473 1079352449 /nfs/dbraw/zinc/35/24/49/1079352449.db2.gz VVDMRJQYTSSCNM-UHFFFAOYSA-N 0 0 421.485 2.284 20 0 HEADRN Cn1ncc(NC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1C1CC1 ZINC000771475847 1079352486 /nfs/dbraw/zinc/35/24/86/1079352486.db2.gz ADNXTKLZZJQULE-OAHLLOKOSA-N 0 0 405.499 2.142 20 0 HEADRN CCOC(=O)C1=C(CN2CCN3CCOc4cccc2c43)NC(=O)N[C@H]1c1ccco1 ZINC000771475303 1079352907 /nfs/dbraw/zinc/35/29/07/1079352907.db2.gz ICNNDLFEAINMJY-IBGZPJMESA-N 0 0 424.457 2.170 20 0 HEADRN O=C(CNc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1)N1CCCC1 ZINC001156347047 1079353009 /nfs/dbraw/zinc/35/30/09/1079353009.db2.gz WCVTVAORKHNGGD-UHFFFAOYSA-N 0 0 407.518 2.074 20 0 HEADRN COCCS(=O)(=O)CC(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC000771480000 1079353815 /nfs/dbraw/zinc/35/38/15/1079353815.db2.gz DDJJZYYMBIUQMQ-UHFFFAOYSA-N 0 0 418.353 2.438 20 0 HEADRN CCOC(=O)Cn1nc(-c2ccccc2)cc1NC(=O)C[C@@H]1CCOC[C@H]1OC ZINC001129340936 1079355223 /nfs/dbraw/zinc/35/52/23/1079355223.db2.gz POHXRUQARXJSEY-FUHWJXTLSA-N 0 0 401.463 2.493 20 0 HEADRN O=C(CNS(=O)(=O)c1cccs1)NCCSCc1ccnc(Cl)c1 ZINC000771485677 1079355606 /nfs/dbraw/zinc/35/56/06/1079355606.db2.gz ORLKOGMFPXWZLY-UHFFFAOYSA-N 0 0 405.954 2.124 20 0 HEADRN CSCC1CCC(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC001129341142 1079355773 /nfs/dbraw/zinc/35/57/73/1079355773.db2.gz RHHLWCAWNNBZHT-UHFFFAOYSA-N 0 0 412.577 2.359 20 0 HEADRN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N[C@@H](CO)[C@@H](C)c2ccccc2)C1 ZINC000771485420 1079355965 /nfs/dbraw/zinc/35/59/65/1079355965.db2.gz RQQDYHBQDNUCTO-NDXORKPFSA-N 0 0 409.486 2.465 20 0 HEADRN CN(CCCc1cc(-c2ccccc2)n[nH]1)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000766773941 1079356087 /nfs/dbraw/zinc/35/60/87/1079356087.db2.gz DPBMSJMHCPDUPX-UHFFFAOYSA-N 0 0 420.535 2.025 20 0 HEADRN O=C(C1=NO[C@H](c2ccccc2)C1)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000771490598 1079357221 /nfs/dbraw/zinc/35/72/21/1079357221.db2.gz GHGGJPLWFCKYEZ-JXFKEZNVSA-N 0 0 419.437 2.028 20 0 HEADRN COC(=O)N1CCC(C(=O)NCC(=O)c2ccc(Br)c(F)c2)CC1 ZINC001169657026 1079357812 /nfs/dbraw/zinc/35/78/12/1079357812.db2.gz JCOJCVFKNPZUPL-UHFFFAOYSA-N 0 0 401.232 2.366 20 0 HEADRN CCC[C@@H]1SCCN1C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O ZINC000771494016 1079358087 /nfs/dbraw/zinc/35/80/87/1079358087.db2.gz OZRCGDMJCCLUAO-FXAWDEMLSA-N 0 0 405.520 2.472 20 0 HEADRN COc1ccccc1-c1cc(C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)no1 ZINC000771495235 1079358133 /nfs/dbraw/zinc/35/81/33/1079358133.db2.gz SXRLBRZYHJTTDR-CQSZACIVSA-N 0 0 419.445 2.139 20 0 HEADRN Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)NCC(=O)Nc2ccc(Cl)cc2)cn1 ZINC000766777079 1079358602 /nfs/dbraw/zinc/35/86/02/1079358602.db2.gz CFTGSAQFAMAHHF-IAGOWNOFSA-N 0 0 405.886 2.310 20 0 HEADRN Cc1nc(Cl)sc1C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000771496003 1079358951 /nfs/dbraw/zinc/35/89/51/1079358951.db2.gz VIMPQLYGDJAQJE-LLVKDONJSA-N 0 0 405.863 2.242 20 0 HEADRN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3cnn(C)c3C3CC3)n(C)c2)C1 ZINC000771497091 1079359238 /nfs/dbraw/zinc/35/92/38/1079359238.db2.gz XJUJVTOLKCIBKM-ZDUSSCGKSA-N 0 0 405.524 2.309 20 0 HEADRN CCOC(=O)N1CCC[C@@H](N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC001169680804 1079365985 /nfs/dbraw/zinc/36/59/85/1079365985.db2.gz CXBZAIGZRNWAIP-QGZVFWFLSA-N 0 0 413.515 2.143 20 0 HEADRN CCN(Cc1ccccc1)C(=O)CNC(=O)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766778223 1079359437 /nfs/dbraw/zinc/35/94/37/1079359437.db2.gz QGJIKQDZRNWNMX-VQTJNVASSA-N 0 0 413.522 2.066 20 0 HEADRN CN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)CCCc1nc(C(C)(C)C)no1 ZINC001169664980 1079360809 /nfs/dbraw/zinc/36/08/09/1079360809.db2.gz CDUYBHCGDBCRPD-CQSZACIVSA-N 0 0 412.531 2.376 20 0 HEADRN CN(C[C@@H](O)CN(C)C(=O)c1cc(OCC(F)F)ccn1)C(=O)OC(C)(C)C ZINC001169665141 1079360825 /nfs/dbraw/zinc/36/08/25/1079360825.db2.gz DEAITGTWMYHRGC-LBPRGKRZSA-N 0 0 403.426 2.025 20 0 HEADRN CN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)CCc1nc(C2CCCC2)no1 ZINC001169666143 1079361173 /nfs/dbraw/zinc/36/11/73/1079361173.db2.gz LFBLSKPGNXQWDK-OAHLLOKOSA-N 0 0 410.515 2.346 20 0 HEADRN Cc1nn2cc(S(=O)(=O)Oc3cccc(C(=O)NC4CC4)c3)cnc2c1Cl ZINC000766779062 1079361200 /nfs/dbraw/zinc/36/12/00/1079361200.db2.gz TWMXISYJKXZHKZ-UHFFFAOYSA-N 0 0 406.851 2.351 20 0 HEADRN Cc1nn(C(F)F)c(C)c1CC(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001169665922 1079361288 /nfs/dbraw/zinc/36/12/88/1079361288.db2.gz KRSKATZJMDYMSU-ZDUSSCGKSA-N 0 0 404.458 2.124 20 0 HEADRN CN(C[C@H](O)CN(C)C(=O)c1ccnn1CCc1ccccc1)C(=O)OC(C)(C)C ZINC001169666486 1079361744 /nfs/dbraw/zinc/36/17/44/1079361744.db2.gz NKFOWDFAQQQDDN-GOSISDBHSA-N 0 0 416.522 2.426 20 0 HEADRN CCOC(=O)C1=C(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)NC(=O)N[C@@H]1C ZINC000771465855 1079362263 /nfs/dbraw/zinc/36/22/63/1079362263.db2.gz WJENTFSVKMPCRC-CQSZACIVSA-N 0 0 413.474 2.065 20 0 HEADRN 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404.511 2.491 20 0 HEADRN C[C@](O)(CNC(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccsc1 ZINC000741081694 1076356689 /nfs/dbraw/zinc/35/66/89/1076356689.db2.gz YBRMPXPJSRROCA-RXVVDRJESA-N 0 0 417.531 2.364 20 0 HEADRN O=C(NC[C@H](O)c1ccccc1Cl)C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000741105280 1076358687 /nfs/dbraw/zinc/35/86/87/1076358687.db2.gz RMKNUKWPTGFLGU-KRWDZBQOSA-N 0 0 417.849 2.081 20 0 HEADRN C[C@@](O)(CNC(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1ccsc1 ZINC000741106838 1076359144 /nfs/dbraw/zinc/35/91/44/1076359144.db2.gz YWDLFOMUFIFBFT-HXUWFJFHSA-N 0 0 411.487 2.373 20 0 HEADRN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)NC[C@](C)(O)c1ccsc1 ZINC000741106586 1076359423 /nfs/dbraw/zinc/35/94/23/1076359423.db2.gz SMNTURFKMYLIIB-NRFANRHFSA-N 0 0 415.515 2.255 20 0 HEADRN CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)c2ccsc2)cc1 ZINC000741106119 1076359952 /nfs/dbraw/zinc/35/99/52/1076359952.db2.gz IGBXOZSUNPWGGT-FQEVSTJZSA-N 0 0 403.504 2.096 20 0 HEADRN NC(=O)c1cc(NC(=O)C(=O)NC[C@H](O)c2c(Cl)cccc2Cl)ccc1F 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C[S@@](=O)CCNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000741098655 1076369645 /nfs/dbraw/zinc/36/96/45/1076369645.db2.gz UDIJEWORYYIPGL-XMMPIXPASA-N 0 0 402.847 2.428 20 0 HEADRN C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCO3)CC[C@H]1NC(=O)OC(C)(C)C ZINC000741098082 1076369993 /nfs/dbraw/zinc/36/99/93/1076369993.db2.gz GSQGJGONWZTWHW-XJKSGUPXSA-N 0 0 403.479 2.322 20 0 HEADRN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000741100112 1076371649 /nfs/dbraw/zinc/37/16/49/1076371649.db2.gz UNBFFMUWHCPPMY-ZJUUUORDSA-N 0 0 408.398 2.184 20 0 HEADRN O=C(NC[C@H](O)c1ccccc1Cl)C(=O)Nc1cccc(CN2CCCC2=O)c1 ZINC000741102070 1076373292 /nfs/dbraw/zinc/37/32/92/1076373292.db2.gz NRKXZCBFRJTZGK-SFHVURJKSA-N 0 0 415.877 2.251 20 0 HEADRN CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NC[C@@H](O)c2c(F)cccc2F)cc1 ZINC000741103405 1076375539 /nfs/dbraw/zinc/37/55/39/1076375539.db2.gz IBYDUFZLQIKLPV-VGMNTSGFSA-N 0 0 418.396 2.329 20 0 HEADRN CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)c2c(F)cccc2F)cc1 ZINC000741104079 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RFYKNAQHQAWPPL-BZUAXINKSA-N 0 0 408.495 2.494 20 0 HEADRN O=C(CCNC(=O)OCC(F)(F)F)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000741138820 1076382630 /nfs/dbraw/zinc/38/26/30/1076382630.db2.gz KTCLDLOMPCYHCD-UHFFFAOYSA-N 0 0 416.335 2.296 20 0 HEADRN CCc1nc(C)c([C@H](C)OC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)s1 ZINC000741138332 1076382733 /nfs/dbraw/zinc/38/27/33/1076382733.db2.gz VAIFEQMKQLLQQC-NSHDSACASA-N 0 0 402.476 2.186 20 0 HEADRN CCc1c(C(=O)N2CCN(CC[S@@](C)=O)CC2)cnn1-c1cccc(Cl)c1 ZINC000741140273 1076383464 /nfs/dbraw/zinc/38/34/64/1076383464.db2.gz IXMGZSUKUVGQJC-HHHXNRCGSA-N 0 0 408.955 2.224 20 0 HEADRN CS(=O)(=O)CCn1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)n1 ZINC000741141573 1076383836 /nfs/dbraw/zinc/38/38/36/1076383836.db2.gz COFVXEQLMAPCQE-UHFFFAOYSA-N 0 0 412.471 2.432 20 0 HEADRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000741141988 1076384208 /nfs/dbraw/zinc/38/42/08/1076384208.db2.gz OZIJBWKSPRGLTD-NDEPHWFRSA-N 0 0 403.552 2.026 20 0 HEADRN 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CCS(=O)(=O)N1CCC[C@H](C(=O)OCc2cn(-c3ccccc3Cl)nn2)C1 ZINC000772185017 1079730254 /nfs/dbraw/zinc/73/02/54/1079730254.db2.gz RBGWCZLHOLLHIT-ZDUSSCGKSA-N 0 0 412.899 2.026 20 0 HEADRN CCS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CN(c3ccccc3)C(=O)O2)c(N)c1 ZINC000772188973 1079730743 /nfs/dbraw/zinc/73/07/43/1079730743.db2.gz WDFPZVOZTAFZMH-AWEZNQCLSA-N 0 0 404.444 2.245 20 0 HEADRN Cc1ccc(CCC(=O)NCC(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1 ZINC000749310035 1079731244 /nfs/dbraw/zinc/73/12/44/1079731244.db2.gz SADGPVKXUMJZMO-INIZCTEOSA-N 0 0 417.506 2.134 20 0 HEADRN Cc1ccc(-c2cc(-c3nnc(SCC4CCS(=O)(=O)CC4)n3N)n[nH]2)cc1 ZINC000767210419 1079732880 /nfs/dbraw/zinc/73/28/80/1079732880.db2.gz UBHKDTBVMOCOSU-UHFFFAOYSA-N 0 0 418.548 2.274 20 0 HEADRN C[C@H](CC(=O)O[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)Cc1ccc(Cl)cc1 ZINC000772152821 1079733247 /nfs/dbraw/zinc/73/32/47/1079733247.db2.gz XELMSIRLJPPFNI-ZQIUZPCESA-N 0 0 415.939 2.486 20 0 HEADRN CCCCOCCCNC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767200239 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1076525666 /nfs/dbraw/zinc/52/56/66/1076525666.db2.gz XOMPSLFTOZKKBF-MRXNPFEDSA-N 0 0 421.856 2.407 20 0 HEADRN Cc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc(Sc3nccn3C)cc2)o1 ZINC000741435002 1076526395 /nfs/dbraw/zinc/52/63/95/1076526395.db2.gz WSISOPJBPUSLKW-HNNXBMFYSA-N 0 0 400.460 2.261 20 0 HEADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nnco2)c1)C1CC1 ZINC000741435441 1076527201 /nfs/dbraw/zinc/52/72/01/1076527201.db2.gz CNTGGGBUAWLJRF-OAHLLOKOSA-N 0 0 415.450 2.095 20 0 HEADRN Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)ccc1N(C)C ZINC000741437727 1076528903 /nfs/dbraw/zinc/52/89/03/1076528903.db2.gz JTKJKQWBEFYXPU-XMSQKQJNSA-N 0 0 424.545 2.405 20 0 HEADRN CC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)c1 ZINC000741439300 1076529628 /nfs/dbraw/zinc/52/96/28/1076529628.db2.gz QIZRQTMSLYQRFU-MRXNPFEDSA-N 0 0 404.467 2.003 20 0 HEADRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)OCCn2cnc3ccsc3c2=O)C1 ZINC000741442396 1076531232 /nfs/dbraw/zinc/53/12/32/1076531232.db2.gz 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Cc1ccc(N2CC[C@H](Sc3nnc(C[C@@H]4CCS(=O)(=O)C4)o3)C2=O)cc1 ZINC000741475531 1076537201 /nfs/dbraw/zinc/53/72/01/1076537201.db2.gz HGBLVBCQCNWUMO-ZFWWWQNUSA-N 0 0 407.517 2.253 20 0 HEADRN C[C@H](OC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)C(=O)N1CCNC1=O ZINC000741450503 1076537458 /nfs/dbraw/zinc/53/74/58/1076537458.db2.gz MEQDUTTUHNDBCH-QMMMGPOBSA-N 0 0 408.764 2.039 20 0 HEADRN O=S1(=O)CC[C@@H](N(Cc2cccnc2)C(=S)N[C@H]2CCOc3ccccc32)C1 ZINC000741480885 1076537780 /nfs/dbraw/zinc/53/77/80/1076537780.db2.gz XZOMPCPJZCVVAC-AEFFLSMTSA-N 0 0 417.556 2.469 20 0 HEADRN O=C1C[C@H](NC(=S)Nc2ccc3c(c2)OCCO3)CN1CCOc1ccccc1 ZINC000741495845 1076539027 /nfs/dbraw/zinc/53/90/27/1076539027.db2.gz CDZZBHYOXCJOHO-INIZCTEOSA-N 0 0 413.499 2.424 20 0 HEADRN O=C(Cn1cc(NC(=S)Nc2ccc(OC(F)F)cc2)cn1)N1CCOCC1 ZINC000741482896 1076540353 /nfs/dbraw/zinc/54/03/53/1076540353.db2.gz FIHBAUATPMZPPQ-UHFFFAOYSA-N 0 0 411.434 2.152 20 0 HEADRN COC[C@H](C)NC(=S)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000741490299 1076541132 /nfs/dbraw/zinc/54/11/32/1076541132.db2.gz WUFKQBDOXUYJST-ZDUSSCGKSA-N 0 0 409.533 2.276 20 0 HEADRN O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000741562505 1076544000 /nfs/dbraw/zinc/54/40/00/1076544000.db2.gz OYUKUWFHFXWSJZ-OLZOCXBDSA-N 0 0 408.417 2.449 20 0 HEADRN CCOc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2C)c(C(N)=O)c1 ZINC000741570193 1076544690 /nfs/dbraw/zinc/54/46/90/1076544690.db2.gz KMVJGBJCSFGDJU-UHFFFAOYSA-N 0 0 417.487 2.285 20 0 HEADRN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N[C@H]1CCCc2nc(C)ncc21 ZINC000741572275 1076545030 /nfs/dbraw/zinc/54/50/30/1076545030.db2.gz QIYIZDQCQOMPEC-IBGZPJMESA-N 0 0 400.504 2.441 20 0 HEADRN COc1cc(NC(=O)C[C@@H](NC(C)=O)c2ccc(F)cc2F)c(C(N)=O)cc1OC ZINC000741553568 1076546058 /nfs/dbraw/zinc/54/60/58/1076546058.db2.gz TUQDERXHZSNLJJ-MRXNPFEDSA-N 0 0 421.400 2.287 20 0 HEADRN COC(=O)NC(C)(C)C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 ZINC000741587747 1076547006 /nfs/dbraw/zinc/54/70/06/1076547006.db2.gz YASVMDRLLFWAFY-UHFFFAOYSA-N 0 0 421.475 2.028 20 0 HEADRN CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC[C@H](Cc3ccccc3)C2)C(=O)C1 ZINC000741588917 1076547297 /nfs/dbraw/zinc/54/72/97/1076547297.db2.gz RLBNPTHGSHUUDJ-GOSISDBHSA-N 0 0 401.507 2.157 20 0 HEADRN CN(C(=O)C[C@H](c1ccccc1)N1CCOC1=O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000741590707 1076548205 /nfs/dbraw/zinc/54/82/05/1076548205.db2.gz IQWYCKYHMNMYPB-KZNAEPCWSA-N 0 0 408.520 2.384 20 0 HEADRN CN(C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000741596068 1076549552 /nfs/dbraw/zinc/54/95/52/1076549552.db2.gz DFLZYOQCYPADQX-CABCVRRESA-N 0 0 423.503 2.040 20 0 HEADRN Cc1cc(=O)oc2cc(OCC(=O)N(C)[C@@H]3CCCC[C@@H]3S(C)(=O)=O)ccc12 ZINC000741596741 1076549803 /nfs/dbraw/zinc/54/98/03/1076549803.db2.gz NKIXPGGPIMOGJA-AEFFLSMTSA-N 0 0 407.488 2.294 20 0 HEADRN CN(C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000741596684 1076549822 /nfs/dbraw/zinc/54/98/22/1076549822.db2.gz LXYSCPLKAFGCEC-QZTJIDSGSA-N 0 0 423.510 2.118 20 0 HEADRN Cc1cc(=O)oc2cc(OCC(=O)N(C)[C@H]3CCCC[C@@H]3S(C)(=O)=O)ccc12 ZINC000741596748 1076549833 /nfs/dbraw/zinc/54/98/33/1076549833.db2.gz NKIXPGGPIMOGJA-WMZOPIPTSA-N 0 0 407.488 2.294 20 0 HEADRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)c1 ZINC000741572830 1076550010 /nfs/dbraw/zinc/55/00/10/1076550010.db2.gz LDDABLPURYFMQO-UHFFFAOYSA-N 0 0 412.899 2.428 20 0 HEADRN CCN(CC)C(=O)c1ccc(OC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000741598989 1076550047 /nfs/dbraw/zinc/55/00/47/1076550047.db2.gz YTEIAJMQFDOYRG-UHFFFAOYSA-N 0 0 404.488 2.395 20 0 HEADRN COc1ccc(NC(C)=O)cc1S(=O)(=O)Oc1c(OC)cc(C=O)cc1OC ZINC000016092805 1076550871 /nfs/dbraw/zinc/55/08/71/1076550871.db2.gz PKVGNRVBHHKREF-UHFFFAOYSA-N 0 0 409.416 2.251 20 0 HEADRN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000741578131 1076551367 /nfs/dbraw/zinc/55/13/67/1076551367.db2.gz FJYNVRYVJNXDSG-IAQYHMDHSA-N 0 0 403.342 2.265 20 0 HEADRN CCO[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C12CCC2 ZINC000741615721 1076556109 /nfs/dbraw/zinc/55/61/09/1076556109.db2.gz RZAMSRYKMRBGIG-SJORKVTESA-N 0 0 404.488 2.071 20 0 HEADRN COc1ccc(CN2C[C@@H](C(=O)N[C@H]3CCN(c4ccc(C)cc4)C3=O)CC2=O)cc1 ZINC000741617971 1076556675 /nfs/dbraw/zinc/55/66/75/1076556675.db2.gz CFTVNQNRHNJWIM-RXVVDRJESA-N 0 0 421.497 2.274 20 0 HEADRN CS(=O)(=O)CCOCCNC(=O)CSCc1ccc(Cl)cc1Cl ZINC000741618201 1076556732 /nfs/dbraw/zinc/55/67/32/1076556732.db2.gz DYAYABDPWCDHSW-UHFFFAOYSA-N 0 0 400.349 2.404 20 0 HEADRN Cc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)OCC(F)(F)F)C2=O)cc1 ZINC000741619184 1076557312 /nfs/dbraw/zinc/55/73/12/1076557312.db2.gz JNLVPLPSFUZXKU-LSDHHAIUSA-N 0 0 413.396 2.380 20 0 HEADRN Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)OCC(F)(F)F)C2=O)cc1 ZINC000741619180 1076557343 /nfs/dbraw/zinc/55/73/43/1076557343.db2.gz JNLVPLPSFUZXKU-GJZGRUSLSA-N 0 0 413.396 2.380 20 0 HEADRN CC(=O)[C@@H]1CC(C(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)=NN1c1ccccc1 ZINC000741618718 1076557805 /nfs/dbraw/zinc/55/78/05/1076557805.db2.gz 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CCC[C@@H](CCc1ccccc1)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000741601943 1076561633 /nfs/dbraw/zinc/56/16/33/1076561633.db2.gz CAXIDGMGFWUCDN-ZWKOTPCHSA-N 0 0 419.547 2.070 20 0 HEADRN CCN(CC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000741602474 1076562155 /nfs/dbraw/zinc/56/21/55/1076562155.db2.gz GVDMBHHQUOAECH-INIZCTEOSA-N 0 0 405.495 2.040 20 0 HEADRN COc1cc(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)cc2c1O[C@H](C)C2 ZINC000741602560 1076562173 /nfs/dbraw/zinc/56/21/73/1076562173.db2.gz HZEPKNSRTXQETQ-QAPCUYQASA-N 0 0 410.470 2.428 20 0 HEADRN CS(=O)(=O)c1cc(C(=O)NCCCOC2CCOCC2)ccc1Br ZINC000741604662 1076563116 /nfs/dbraw/zinc/56/31/16/1076563116.db2.gz ZMXKLZUEINRLAM-UHFFFAOYSA-N 0 0 420.325 2.168 20 0 HEADRN CCOc1ccc(N2C[C@H](C(=O)NCCc3cccc(C(=O)N(C)C)c3)CC2=O)cc1 ZINC000741607918 1076564610 /nfs/dbraw/zinc/56/46/10/1076564610.db2.gz XTUXKMXRVBJSCJ-LJQANCHMSA-N 0 0 423.513 2.499 20 0 HEADRN CCc1ccc([C@H](COC)NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)o1 ZINC000741611816 1076565694 /nfs/dbraw/zinc/56/56/94/1076565694.db2.gz HXMRTZSGEDWQLE-HTAPYJJXSA-N 0 0 413.474 2.421 20 0 HEADRN COCCNC(=O)Cn1cc(NC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)cn1 ZINC000741637138 1076566131 /nfs/dbraw/zinc/56/61/31/1076566131.db2.gz ROBRPICRWAIVHU-SREVYHEPSA-N 0 0 413.865 2.499 20 0 HEADRN COC(=O)c1cc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)c(OC)c(OC)c1 ZINC000741637395 1076566173 /nfs/dbraw/zinc/56/61/73/1076566173.db2.gz MNWRLIDQFDGOCK-UHFFFAOYSA-N 0 0 414.336 2.310 20 0 HEADRN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3Cc4ccccc4C[C@H]3C)C2=O)cc1 ZINC000741636667 1076566514 /nfs/dbraw/zinc/56/65/14/1076566514.db2.gz BSGWWVVNEAOBIO-IQMFZBJNSA-N 0 0 407.470 2.436 20 0 HEADRN CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)(C)C(=O)OC)cc2)c1=O ZINC000741638517 1076567032 /nfs/dbraw/zinc/56/70/32/1076567032.db2.gz AIKFVRPDVFYALL-UHFFFAOYSA-N 0 0 423.469 2.272 20 0 HEADRN COC(=O)c1cc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)c(OC)c(OC)c1 ZINC000741638795 1076567092 /nfs/dbraw/zinc/56/70/92/1076567092.db2.gz XTDUBWGSJDZQRP-SFHVURJKSA-N 0 0 414.414 2.243 20 0 HEADRN COC(=O)C(C)(C)c1ccc(NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000741642168 1076567633 /nfs/dbraw/zinc/56/76/33/1076567633.db2.gz XVPMPBJPWIEBHR-ZDUSSCGKSA-N 0 0 401.463 2.329 20 0 HEADRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cn(C)nn2)NC(=O)N1C[C@@H]1CCCO1 ZINC000741644940 1076568398 /nfs/dbraw/zinc/56/83/98/1076568398.db2.gz AFBSONVVPHWLFY-MAUKXSAKSA-N 0 0 414.441 2.112 20 0 HEADRN COCCN1C(=O)N[C@@H](c2cn(C)nn2)C(C(=O)Nc2cccc(Cl)c2)=C1C ZINC000741645527 1076568952 /nfs/dbraw/zinc/56/89/52/1076568952.db2.gz DZUBLQFODTZADH-INIZCTEOSA-N 0 0 404.858 2.094 20 0 HEADRN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cn(C)nn2)NC(=O)N1C[C@H]1CCCO1 ZINC000741646917 1076569027 /nfs/dbraw/zinc/56/90/27/1076569027.db2.gz IWGJZGGTWBQFRL-VQIMIIECSA-N 0 0 411.462 2.078 20 0 HEADRN COC(=O)c1n[nH]c2ccc(NS(=O)(=O)c3ccc(C(=O)OC)c(C)c3)cc21 ZINC000741648298 1076569384 /nfs/dbraw/zinc/56/93/84/1076569384.db2.gz IAZREPIVGXATLY-UHFFFAOYSA-N 0 0 403.416 2.245 20 0 HEADRN Cc1ccc(N2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)C2=O)cc1 ZINC000741623611 1076570208 /nfs/dbraw/zinc/57/02/08/1076570208.db2.gz ZFKCFDMVFARSGS-LJQANCHMSA-N 0 0 415.515 2.217 20 0 HEADRN CCc1noc(COc2ccc(OC(=O)CN3C(=O)NC(CC)(CC)C3=O)cc2)n1 ZINC000741627200 1076570490 /nfs/dbraw/zinc/57/04/90/1076570490.db2.gz YLXUGJLJQHXXEN-UHFFFAOYSA-N 0 0 416.434 2.227 20 0 HEADRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000741629529 1076571619 /nfs/dbraw/zinc/57/16/19/1076571619.db2.gz OOHVTSVOSWRPEB-QUCCMNQESA-N 0 0 413.522 2.456 20 0 HEADRN Cc1ccc(C)c(N2N=C(C(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)CCC2=O)c1 ZINC000741630922 1076572566 /nfs/dbraw/zinc/57/25/66/1076572566.db2.gz YUSMXKYESFWMAA-QGZVFWFLSA-N 0 0 408.506 2.305 20 0 HEADRN CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccc(O[C@@H](C)C(N)=O)cc2)CC1=O ZINC000741633420 1076572867 /nfs/dbraw/zinc/57/28/67/1076572867.db2.gz VSUBZUWCHPVNOD-GJZGRUSLSA-N 0 0 412.442 2.296 20 0 HEADRN CCOc1ccccc1N1C[C@H](C(=O)Oc2ccc(O[C@H](C)C(N)=O)cc2)CC1=O ZINC000741633424 1076572951 /nfs/dbraw/zinc/57/29/51/1076572951.db2.gz VSUBZUWCHPVNOD-HUUCEWRRSA-N 0 0 412.442 2.296 20 0 HEADRN CCOc1ccc(N2C[C@@H](C(=O)Oc3ccc(O[C@H](C)C(N)=O)cc3)CC2=O)cc1 ZINC000741632946 1076573366 /nfs/dbraw/zinc/57/33/66/1076573366.db2.gz VNLIOJUOFXEKRC-CABCVRRESA-N 0 0 412.442 2.296 20 0 HEADRN CC(C)c1ccc(N2CC[C@@H](C(=O)Nc3cnn(CC(=O)NC4CC4)c3)C2=O)cc1 ZINC000741671509 1076575528 /nfs/dbraw/zinc/57/55/28/1076575528.db2.gz CACBWKVJIZLOHL-IBGZPJMESA-N 0 0 409.490 2.277 20 0 HEADRN COc1cccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@@H]2c2cn(C)nn2)c1 ZINC000741651207 1076576226 /nfs/dbraw/zinc/57/62/26/1076576226.db2.gz OYEWBBVKRMDRCC-LJQANCHMSA-N 0 0 420.498 2.393 20 0 HEADRN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2cn(C)nn2)NC(=S)N1C ZINC000741650964 1076576234 /nfs/dbraw/zinc/57/62/34/1076576234.db2.gz NRLXIALNIPHREU-CQSZACIVSA-N 0 0 421.324 2.351 20 0 HEADRN Cn1c2ccc(S(=O)(=O)Nc3ccc(N4CCSCC4)cc3)cc2oc1=O ZINC000741651873 1076576365 /nfs/dbraw/zinc/57/63/65/1076576365.db2.gz KTUJRWHKMOYTTR-UHFFFAOYSA-N 0 0 405.501 2.486 20 0 HEADRN COC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c2ccccc21 ZINC000741653112 1076576795 /nfs/dbraw/zinc/57/67/95/1076576795.db2.gz JZPBRIUJUZMVCW-HNNXBMFYSA-N 0 0 423.512 2.087 20 0 HEADRN COC(=O)C[C@@H]1CN(S(=O)(=O)c2sc(NC(C)=O)nc2C)c2ccccc21 ZINC000741653920 1076577487 /nfs/dbraw/zinc/57/74/87/1076577487.db2.gz OFWPYEUBIHQDTO-GFCCVEGCSA-N 0 0 409.489 2.266 20 0 HEADRN CC(C)c1ccc(N2CC[C@H](C(=O)NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000741660579 1076580722 /nfs/dbraw/zinc/58/07/22/1076580722.db2.gz XRTGKMAAENVQHV-LJQANCHMSA-N 0 0 415.515 2.127 20 0 HEADRN Cn1cc(-c2cccc(C(=O)N3CCN(CC(=O)Nc4ccccc4)CC3)c2)cn1 ZINC000741665475 1076580910 /nfs/dbraw/zinc/58/09/10/1076580910.db2.gz PTTRDJLPYSRBKW-UHFFFAOYSA-N 0 0 403.486 2.484 20 0 HEADRN O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1cc(N2CCOC2=O)ccc1F ZINC000741694695 1076582343 /nfs/dbraw/zinc/58/23/43/1076582343.db2.gz PGBVTLGCPVZUOQ-CYBMUJFWSA-N 0 0 411.389 2.240 20 0 HEADRN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NCCN1C(=O)CSC1=O ZINC000741673155 1076582711 /nfs/dbraw/zinc/58/27/11/1076582711.db2.gz JXYRXAAFDILDBL-SNVBAGLBSA-N 0 0 413.293 2.470 20 0 HEADRN CC(C)C(=O)N(C)Cc1ccc(C(=O)NCCC2N=NC(=S)N2C2CC2)cc1 ZINC000741688169 1076586225 /nfs/dbraw/zinc/58/62/25/1076586225.db2.gz YKEIOAYLAGBCNM-UHFFFAOYSA-N 0 0 401.536 2.489 20 0 HEADRN COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)c2nnn(C)c2C)cc1 ZINC000741690046 1076587734 /nfs/dbraw/zinc/58/77/34/1076587734.db2.gz VEUAYXHUQNSCAP-UHFFFAOYSA-N 0 0 407.474 2.381 20 0 HEADRN CCN(CC(=O)NC)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000741692071 1076588527 /nfs/dbraw/zinc/58/85/27/1076588527.db2.gz DSYAPGPXUUHIKQ-UHFFFAOYSA-N 0 0 405.296 2.332 20 0 HEADRN O=C(CCn1cc[nH]c(=O)c1=O)NCc1ccccc1COc1ccccc1Cl ZINC000741713384 1076589363 /nfs/dbraw/zinc/58/93/63/1076589363.db2.gz CANDOQMNIBKRAO-UHFFFAOYSA-N 0 0 413.861 2.476 20 0 HEADRN CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000741714144 1076589544 /nfs/dbraw/zinc/58/95/44/1076589544.db2.gz NOECWPRMLJWFMT-INIZCTEOSA-N 0 0 423.510 2.307 20 0 HEADRN Cc1ccc(N2CC[C@H](NC(=O)CCc3c(C)[nH]c4nn(C)c(=O)c-4c3C)C2=O)cc1 ZINC000741717547 1076591178 /nfs/dbraw/zinc/59/11/78/1076591178.db2.gz IAKSZRYCULITGW-SFHVURJKSA-N 0 0 421.501 2.041 20 0 HEADRN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000741718191 1076592250 /nfs/dbraw/zinc/59/22/50/1076592250.db2.gz KFHNSTPBRIAJNN-YADHBBJMSA-N 0 0 418.497 2.445 20 0 HEADRN COC(=O)[C@H](CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)CC(C)C ZINC000741719451 1076592547 /nfs/dbraw/zinc/59/25/47/1076592547.db2.gz SRAMJXZQNRSBEP-ZDUSSCGKSA-N 0 0 416.927 2.445 20 0 HEADRN CS(=O)(=O)CCOCCNC(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC000741719825 1076592990 /nfs/dbraw/zinc/59/29/90/1076592990.db2.gz VNUSSWAQTAJFQS-UHFFFAOYSA-N 0 0 423.716 2.375 20 0 HEADRN COC(=O)[C@@H](CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1)CC(C)C ZINC000741719993 1076593014 /nfs/dbraw/zinc/59/30/14/1076593014.db2.gz WTVQTBNGWILYCB-CQSZACIVSA-N 0 0 416.515 2.468 20 0 HEADRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000741696833 1076595036 /nfs/dbraw/zinc/59/50/36/1076595036.db2.gz UDLSBQSMBHBTKC-ABAIWWIYSA-N 0 0 417.462 2.061 20 0 HEADRN CC(C)(C)OC(=O)CCNC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000741698827 1076596416 /nfs/dbraw/zinc/59/64/16/1076596416.db2.gz PGLITUMFTIJYAN-UHFFFAOYSA-N 0 0 406.298 2.314 20 0 HEADRN COC(=O)C[C@@H]1CN(C(=O)CSCC(=O)Nc2cc(C)on2)c2ccccc21 ZINC000741707073 1076599660 /nfs/dbraw/zinc/59/96/60/1076599660.db2.gz UKROLVUTIKLVEO-CYBMUJFWSA-N 0 0 403.460 2.348 20 0 HEADRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccc(NC(=O)N(C)C)c2)c1 ZINC000741712386 1076601639 /nfs/dbraw/zinc/60/16/39/1076601639.db2.gz NRVQOIJUYAYJFU-UHFFFAOYSA-N 0 0 424.910 2.272 20 0 HEADRN Cc1cc(C)nc(-n2[n-]c(C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)cc2=O)n1 ZINC000741741424 1076602929 /nfs/dbraw/zinc/60/29/29/1076602929.db2.gz AWKQIJYNCAQETQ-UHFFFAOYSA-N 0 0 424.480 2.106 20 0 HEADRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(S(=O)(=O)CCO)cc1 ZINC000741742359 1076603509 /nfs/dbraw/zinc/60/35/09/1076603509.db2.gz AOGJMMCJDRZQAM-HXUWFJFHSA-N 0 0 414.483 2.355 20 0 HEADRN C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CCN2C)c1cccc(NS(C)(=O)=O)c1 ZINC000741743301 1076604559 /nfs/dbraw/zinc/60/45/59/1076604559.db2.gz BRAMCAYFDDOVML-ZDUSSCGKSA-N 0 0 416.503 2.328 20 0 HEADRN Cn1c2nnc(COC(=O)c3ccc(N4CC=CC4)cc3)n2c2ccccc2c1=O ZINC000741743082 1076605054 /nfs/dbraw/zinc/60/50/54/1076605054.db2.gz JSNLCERIESMFNN-UHFFFAOYSA-N 0 0 401.426 2.314 20 0 HEADRN CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[n-]2)C1 ZINC000741744530 1076605106 /nfs/dbraw/zinc/60/51/06/1076605106.db2.gz YWTDRJKGFOGJLH-MRXNPFEDSA-N 0 0 400.527 2.203 20 0 HEADRN CC[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)N1CCCC1=O ZINC000741743945 1076605121 /nfs/dbraw/zinc/60/51/21/1076605121.db2.gz SASPMFPGRPSJLY-WSTOHFRZSA-N 0 0 401.488 2.240 20 0 HEADRN Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)cc2=O)n1 ZINC000741745959 1076606607 /nfs/dbraw/zinc/60/66/07/1076606607.db2.gz LYWBRPGEPJEYOJ-GOSISDBHSA-N 0 0 412.538 2.157 20 0 HEADRN CC[C@H](C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)N1CCCC1=O ZINC000741746950 1076607226 /nfs/dbraw/zinc/60/72/26/1076607226.db2.gz MXQCOUSGKXMKHF-WMJYUBJYSA-N 0 0 419.478 2.379 20 0 HEADRN CON(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccccc3C)C2)cc1 ZINC000741726530 1076607572 /nfs/dbraw/zinc/60/75/72/1076607572.db2.gz GKRXLOCIMZUSRQ-LJQANCHMSA-N 0 0 404.488 2.391 20 0 HEADRN Cc1ccccc1[C@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CCO1 ZINC000741727210 1076608292 /nfs/dbraw/zinc/60/82/92/1076608292.db2.gz KFLLKNOCDAHDPJ-VQTJNVASSA-N 0 0 410.449 2.154 20 0 HEADRN Cc1ccccc1[C@@H]1CN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CCO1 ZINC000741728305 1076608628 /nfs/dbraw/zinc/60/86/28/1076608628.db2.gz QJMOUZMCMVBTBQ-RDPSFJRHSA-N 0 0 419.481 2.288 20 0 HEADRN CC(=O)Nc1ccccc1CNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC000741730241 1076609980 /nfs/dbraw/zinc/60/99/80/1076609980.db2.gz GFTHTLBZOGFKFP-UHFFFAOYSA-N 0 0 423.441 2.294 20 0 HEADRN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 ZINC000741729590 1076610050 /nfs/dbraw/zinc/61/00/50/1076610050.db2.gz DCYYLYUCGKGIIA-SFYKDHMMSA-N 0 0 409.486 2.393 20 0 HEADRN C[C@H]1CCC[C@H](C)N1C(=O)CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000741731576 1076610523 /nfs/dbraw/zinc/61/05/23/1076610523.db2.gz AVXUTGWDXANYTQ-GJZGRUSLSA-N 0 0 422.526 2.097 20 0 HEADRN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3cc(Cl)nc(Cl)c3)cn2)C[C@H](C)O1 ZINC000741731944 1076611683 /nfs/dbraw/zinc/61/16/83/1076611683.db2.gz RIDIKJFMKOIGFD-PHIMTYICSA-N 0 0 412.277 2.473 20 0 HEADRN Cc1ccc(NC(=O)CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)cc1 ZINC000741733114 1076612502 /nfs/dbraw/zinc/61/25/02/1076612502.db2.gz QOYYZWYEMDKWQJ-UHFFFAOYSA-N 0 0 416.478 2.255 20 0 HEADRN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)CC2 ZINC000741732673 1076613180 /nfs/dbraw/zinc/61/31/80/1076613180.db2.gz IBFAHJRNJZRBOP-CVEARBPZSA-N 0 0 423.535 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0 0 410.474 2.191 20 0 HEADRN CNC(=O)CCN(C)C(=O)CC/C(C)=C\Cc1c(O)c2c(c(C)c1OC)COC2=O ZINC000767182980 1079723677 /nfs/dbraw/zinc/72/36/77/1079723677.db2.gz DWZJZQNQCBEJHK-MLPAPPSSSA-N 0 0 418.490 2.243 20 0 HEADRN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)N1CCCC[C@H]1C1OCCO1 ZINC000767188127 1079727443 /nfs/dbraw/zinc/72/74/43/1079727443.db2.gz IJPNXWPRXSBBGP-IBGZPJMESA-N 0 0 422.957 2.399 20 0 HEADRN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC000772178570 1079727915 /nfs/dbraw/zinc/72/79/15/1079727915.db2.gz AJLYBJHSCSYDCE-CQSZACIVSA-N 0 0 408.426 2.468 20 0 HEADRN COC(=O)[C@@H](NC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1)c1ccc(F)c(C)c1 ZINC000767191319 1079728608 /nfs/dbraw/zinc/72/86/08/1079728608.db2.gz YLSVQKVKKUWMEA-MOPGFXCFSA-N 0 0 400.406 2.279 20 0 HEADRN COC(=O)[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1ccc(F)c(C)c1 ZINC000767190389 1079728731 /nfs/dbraw/zinc/72/87/31/1079728731.db2.gz LNYQMSIORQAMDC-SFHVURJKSA-N 0 0 413.380 2.463 20 0 HEADRN CC(C)Cn1ncc2cc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)cnc21 ZINC000767193546 1079729417 /nfs/dbraw/zinc/72/94/17/1079729417.db2.gz GZTIZKFZAQQFNR-UHFFFAOYSA-N 0 0 405.499 2.047 20 0 HEADRN COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)cc1 ZINC000772183198 1079729514 /nfs/dbraw/zinc/72/95/14/1079729514.db2.gz NAAAGHFSDZKJGF-IFXJQAMLSA-N 0 0 422.503 2.383 20 0 HEADRN CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000767193244 1079730000 /nfs/dbraw/zinc/73/00/00/1079730000.db2.gz GLVROSIMULNSAM-UHFFFAOYSA-N 0 0 414.886 2.461 20 0 HEADRN CS(=O)(=O)CCSc1cc(Br)ccc1CNCC(F)(F)CO ZINC000767194985 1079730010 /nfs/dbraw/zinc/73/00/10/1079730010.db2.gz SZVQRKMJVQVNJW-UHFFFAOYSA-N 0 0 418.325 2.303 20 0 HEADRN Cc1cc(C(=O)N(C)CCN2CCCS2(=O)=O)ccc1NC(=O)OC(C)(C)C ZINC000772149311 1079732019 /nfs/dbraw/zinc/73/20/19/1079732019.db2.gz JOKYFGZKPXPRBD-UHFFFAOYSA-N 0 0 411.524 2.450 20 0 HEADRN Cc1ccc(CCNC(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)o1 ZINC000767197249 1079732362 /nfs/dbraw/zinc/73/23/62/1079732362.db2.gz VFNJFUOIKYDPSA-UHFFFAOYSA-N 0 0 406.508 2.034 20 0 HEADRN COCCN(CCNC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2)C(=O)OC(C)(C)C ZINC000767198401 1079732805 /nfs/dbraw/zinc/73/28/05/1079732805.db2.gz BOTZPGWOBKAUHX-CQSZACIVSA-N 0 0 420.510 2.425 20 0 HEADRN COc1cc2cc(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)[nH]c2cc1OC ZINC000767201042 1079733853 /nfs/dbraw/zinc/73/38/53/1079733853.db2.gz AQKSDVXXDPNDNI-UHFFFAOYSA-N 0 0 407.467 2.144 20 0 HEADRN COc1ccc(CN2CCCN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)CC2=O)cc1 ZINC000767202874 1079734575 /nfs/dbraw/zinc/73/45/75/1079734575.db2.gz UWGNLFZIAQMOPZ-HXUWFJFHSA-N 0 0 408.454 2.038 20 0 HEADRN CS(=O)(=O)CCOc1cccc(NC(=O)c2cc[nH]c(=O)c2Br)c1 ZINC000772155279 1079734815 /nfs/dbraw/zinc/73/48/15/1079734815.db2.gz PTABJRWTFGSWJK-UHFFFAOYSA-N 0 0 415.265 2.225 20 0 HEADRN COc1cc(CNC(=O)COC(=O)Cc2ccc(C)c(O)c2)cc(OC)c1OC ZINC000772159631 1079735193 /nfs/dbraw/zinc/73/51/93/1079735193.db2.gz XMAPXZNHWQAMFC-UHFFFAOYSA-N 0 0 403.431 2.129 20 0 HEADRN CC1([C@H]2CCCN(c3cc(N4CCC[C@H](C5(C)OCCO5)C4)ncn3)C2)OCCO1 ZINC000772160189 1079735458 /nfs/dbraw/zinc/73/54/58/1079735458.db2.gz AVZIHLQRPHXOMQ-ROUUACIJSA-N 0 0 418.538 2.435 20 0 HEADRN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)c2cn(C)nc2-c2ccccc2)C1 ZINC000772163923 1079736042 /nfs/dbraw/zinc/73/60/42/1079736042.db2.gz YSJRJTASQWFWDG-NVXWUHKLSA-N 0 0 413.474 2.434 20 0 HEADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccc(OC(F)F)cn2)CCO1 ZINC000772161878 1079736065 /nfs/dbraw/zinc/73/60/65/1079736065.db2.gz XOHKGURURGJXBS-FZMZJTMJSA-N 0 0 401.410 2.437 20 0 HEADRN CCOc1cc(NC2CCN(C(=O)c3nc(C)n(-c4ccccc4)n3)CC2)ncn1 ZINC000767208596 1079737149 /nfs/dbraw/zinc/73/71/49/1079737149.db2.gz FCVOBEDONIDDFA-UHFFFAOYSA-N 0 0 407.478 2.481 20 0 HEADRN CN(C)C(=O)c1cc(N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)ccn1 ZINC000767208186 1079737292 /nfs/dbraw/zinc/73/72/92/1079737292.db2.gz CHJSILQUJMHNLH-OAHLLOKOSA-N 0 0 406.408 2.437 20 0 HEADRN Cc1noc(C)c1C(=O)COC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000772169833 1079737630 /nfs/dbraw/zinc/73/76/30/1079737630.db2.gz KHVSYDBPSNDDDD-UHFFFAOYSA-N 0 0 412.851 2.379 20 0 HEADRN NC(=O)c1cnn2c1nccc2C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000767209585 1079737736 /nfs/dbraw/zinc/73/77/36/1079737736.db2.gz JDDFABZYTSMHFI-UHFFFAOYSA-N 0 0 414.425 2.011 20 0 HEADRN Cn1cc(C(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000772170166 1079738020 /nfs/dbraw/zinc/73/80/20/1079738020.db2.gz RCYLJGOQYKYNBX-UHFFFAOYSA-N 0 0 424.432 2.292 20 0 HEADRN C[C@@H](CONC(=O)CCC(=O)c1ccc2c(c1)OCCO2)NC(=O)OC(C)(C)C ZINC000767179165 1079738150 /nfs/dbraw/zinc/73/81/50/1079738150.db2.gz QJPNDCYGPPUIIF-ZDUSSCGKSA-N 0 0 408.451 2.382 20 0 HEADRN C[C@H](CONC(=O)CCC(=O)c1ccc2c(c1)OCCO2)NC(=O)OC(C)(C)C ZINC000767179163 1079738391 /nfs/dbraw/zinc/73/83/91/1079738391.db2.gz QJPNDCYGPPUIIF-CYBMUJFWSA-N 0 0 408.451 2.382 20 0 HEADRN O=C(Nc1nc(CN2CCOCC2)cs1)N1CCC(O)(c2ccccc2)CC1 ZINC000767211549 1079739911 /nfs/dbraw/zinc/73/99/11/1079739911.db2.gz DHHJIEMAXLULIJ-UHFFFAOYSA-N 0 0 402.520 2.491 20 0 HEADRN CC(C)(C)OC(=O)NCCN(CCO)c1nn2cc(-c3cccnc3)nc2s1 ZINC000767212755 1079740377 /nfs/dbraw/zinc/74/03/77/1079740377.db2.gz NPIVPXXAVATYHD-UHFFFAOYSA-N 0 0 404.496 2.176 20 0 HEADRN COC(=O)C(C(=O)OC)c1cncc(NC[C@@H](O)c2c(Cl)cccc2Cl)n1 ZINC001170039872 1079741483 /nfs/dbraw/zinc/74/14/83/1079741483.db2.gz NLGAMXMZIONDNQ-GFCCVEGCSA-N 0 0 414.245 2.359 20 0 HEADRN CC1CCN(C(=O)c2ccc(N(CCO)CCNC(=O)OC(C)(C)C)nc2)CC1 ZINC000767213099 1079741778 /nfs/dbraw/zinc/74/17/78/1079741778.db2.gz PZMBRUWJUYLMQW-UHFFFAOYSA-N 0 0 406.527 2.277 20 0 HEADRN CNS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000772209373 1079741877 /nfs/dbraw/zinc/74/18/77/1079741877.db2.gz RMLPZRZSTGGURM-INIZCTEOSA-N 0 0 423.535 2.209 20 0 HEADRN CCOCCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C3CC3)cc2)CC1 ZINC000772211417 1079742527 /nfs/dbraw/zinc/74/25/27/1079742527.db2.gz XNINNRQIQQWJDW-UHFFFAOYSA-N 0 0 401.507 2.284 20 0 HEADRN Cc1ncc(CCNC(=O)Cn2cnc3ccc(Br)cc3c2=O)s1 ZINC000772212745 1079742543 /nfs/dbraw/zinc/74/25/43/1079742543.db2.gz BHKPZYSSYXSYSD-UHFFFAOYSA-N 0 0 407.293 2.283 20 0 HEADRN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(c2ccc(C(F)(F)F)nn2)C1 ZINC000767216184 1079743622 /nfs/dbraw/zinc/74/36/22/1079743622.db2.gz HYWDETDRGNEXIZ-GFCCVEGCSA-N 0 0 417.432 2.353 20 0 HEADRN Cc1ncc(CCNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)s1 ZINC000772221240 1079746733 /nfs/dbraw/zinc/74/67/33/1079746733.db2.gz JFIDPFSRTWNUFW-UHFFFAOYSA-N 0 0 408.530 2.036 20 0 HEADRN CCCc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n(C)n1 ZINC000772222891 1079746745 /nfs/dbraw/zinc/74/67/45/1079746745.db2.gz LXKFBROKLLNVCK-HUUCEWRRSA-N 0 0 421.542 2.463 20 0 HEADRN Cc1c(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cnn1-c1ccccc1 ZINC000772222880 1079746852 /nfs/dbraw/zinc/74/68/52/1079746852.db2.gz SSGZTVJFMYRLDO-IBGZPJMESA-N 0 0 406.421 2.379 20 0 HEADRN CCCc1cc(NC(=O)C(=O)N2CCC(N(C)C(=O)OC(C)(C)C)CC2)n(C)n1 ZINC000772222154 1079747472 /nfs/dbraw/zinc/74/74/72/1079747472.db2.gz YJXUGLQCAJFELR-UHFFFAOYSA-N 0 0 407.515 2.169 20 0 HEADRN CC(C)(C)OC(=O)N1CCC(CSCc2nc(CS(C)(=O)=O)no2)CC1 ZINC000767221307 1079747754 /nfs/dbraw/zinc/74/77/54/1079747754.db2.gz KBCAWAVQAKUWDF-UHFFFAOYSA-N 0 0 405.542 2.495 20 0 HEADRN CCCc1cc(NC(=O)C(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)n(C)n1 ZINC000772223218 1079748034 /nfs/dbraw/zinc/74/80/34/1079748034.db2.gz NSNVHCONXILAIQ-KBPBESRZSA-N 0 0 407.515 2.167 20 0 HEADRN COC[C@@H]1CCCCN(C(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)C1 ZINC000767222380 1079748158 /nfs/dbraw/zinc/74/81/58/1079748158.db2.gz BXAPLERETNJXAE-JXYKKQOOSA-N 0 0 413.518 2.065 20 0 HEADRN CN(CC1CCN(C(=O)NCCS(=O)(=O)CC2CC2)CC1)C(=O)OC(C)(C)C ZINC000767222774 1079748285 /nfs/dbraw/zinc/74/82/85/1079748285.db2.gz KQLKBDAVYUKGFS-UHFFFAOYSA-N 0 0 417.572 2.100 20 0 HEADRN COC[C@@H]1CCCCN(C(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)C1 ZINC000767224571 1079749168 /nfs/dbraw/zinc/74/91/68/1079749168.db2.gz OLSGGTKAXQSVLT-OPAMFIHVSA-N 0 0 417.506 2.046 20 0 HEADRN COCC[C@@H]1CCCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)C1 ZINC000767225674 1079750205 /nfs/dbraw/zinc/75/02/05/1079750205.db2.gz FDSYJDOTSFQUFV-AOMKIAJQSA-N 0 0 417.506 2.127 20 0 HEADRN CCOC(=O)/C=C\c1ccc(NC(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)cc1 ZINC000772227255 1079750786 /nfs/dbraw/zinc/75/07/86/1079750786.db2.gz SRLLDLVYYGMPQC-JPBKIQTRSA-N 0 0 406.479 2.141 20 0 HEADRN CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000767229921 1079751283 /nfs/dbraw/zinc/75/12/83/1079751283.db2.gz KDVGUMPCNHRZDQ-KRWDZBQOSA-N 0 0 405.472 2.222 20 0 HEADRN C[C@H]1C[C@H](NC(=O)Nc2cccc(OCC(N)=O)c2)CCN1C(=O)OC(C)(C)C ZINC000772229986 1079751379 /nfs/dbraw/zinc/75/13/79/1079751379.db2.gz KNTOQCKYXINJQK-DZGCQCFKSA-N 0 0 406.483 2.460 20 0 HEADRN Cc1nc(C)c(C(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)o1 ZINC000767229825 1079751392 /nfs/dbraw/zinc/75/13/92/1079751392.db2.gz CKWVIIJIRGSWOL-INIZCTEOSA-N 0 0 406.460 2.179 20 0 HEADRN 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CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)NC[C@H](O)c1cnn(C)c1)O[C@@H](C)C2 ZINC000743600722 1077078580 /nfs/dbraw/zinc/07/85/80/1077078580.db2.gz XPVSTFXCEPGFSD-FRJURHEUSA-N 0 0 400.479 2.031 20 0 HEADRN CCc1nc(C)c([C@H](C)N(C)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)s1 ZINC000743601791 1077078850 /nfs/dbraw/zinc/07/88/50/1077078850.db2.gz JAQBJWQUBWWXCD-AWEZNQCLSA-N 0 0 416.613 2.225 20 0 HEADRN CCCc1ccc(N2C[C@@H](C(=O)NC(C)(C)c3noc(CN(C)C)n3)CC2=O)cc1 ZINC000743644880 1077079449 /nfs/dbraw/zinc/07/94/49/1077079449.db2.gz LEDUCANZMGPVCF-INIZCTEOSA-N 0 0 413.522 2.488 20 0 HEADRN Cc1ccc2nc(COc3ccccc3C(=O)NC[C@@H](O)c3cnn(C)c3)cn2c1 ZINC000743644567 1077079539 /nfs/dbraw/zinc/07/95/39/1077079539.db2.gz HADIXXPVKXYBFM-LJQANCHMSA-N 0 0 405.458 2.419 20 0 HEADRN Cn1cc([C@H](O)CNC(=O)c2cccc(NC(=O)c3ccc4[nH]cnc4c3)c2)cn1 ZINC000743646045 1077079728 /nfs/dbraw/zinc/07/97/28/1077079728.db2.gz UNHLMKKQSLWVER-LJQANCHMSA-N 0 0 404.430 2.012 20 0 HEADRN CCn1c(SCC(=O)NC[C@H](O)c2cnn(C)c2)nnc1-c1ccc(Cl)cc1 ZINC000743646474 1077079809 /nfs/dbraw/zinc/07/98/09/1077079809.db2.gz NLLPBARXULDXNK-HNNXBMFYSA-N 0 0 420.926 2.294 20 0 HEADRN Cc1ccc(C(=O)N[C@H](CC(=O)NC[C@@H](O)c2cnn(C)c2)c2ccccc2)cc1 ZINC000743648025 1077080280 /nfs/dbraw/zinc/08/02/80/1077080280.db2.gz YTRYNSDLOUPACE-NHCUHLMSSA-N 0 0 406.486 2.440 20 0 HEADRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@@](C)(O)c3ccco3)C2)s1 ZINC000743652117 1077081415 /nfs/dbraw/zinc/08/14/15/1077081415.db2.gz LBDDJIPIRMYFKC-KBXCAEBGSA-N 0 0 412.533 2.074 20 0 HEADRN C[C@@](O)(CNC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1ccco1 ZINC000743652417 1077081526 /nfs/dbraw/zinc/08/15/26/1077081526.db2.gz ULJILCMLURNFAW-HXUWFJFHSA-N 0 0 401.488 2.344 20 0 HEADRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@@](C)(O)c1ccco1 ZINC000743651962 1077081603 /nfs/dbraw/zinc/08/16/03/1077081603.db2.gz VVUKBOAQMMRVIC-QGZVFWFLSA-N 0 0 411.384 2.309 20 0 HEADRN COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NC[C@](C)(O)c1ccco1 ZINC000743652146 1077081692 /nfs/dbraw/zinc/08/16/92/1077081692.db2.gz YUHJXHPMLXOFFX-YWZLYKJASA-N 0 0 406.504 2.164 20 0 HEADRN C[C@](O)(CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccco1 ZINC000743651638 1077081919 /nfs/dbraw/zinc/08/19/19/1077081919.db2.gz AKWFFFOEGLHVBD-GLHYLFFDSA-N 0 0 418.515 2.316 20 0 HEADRN C[C@@H]1CN(C(=O)NCc2n[nH]cc2Br)CCN1C(=O)OC(C)(C)C ZINC000743626919 1077082672 /nfs/dbraw/zinc/08/26/72/1077082672.db2.gz XHHGBIJHHUOPEI-SNVBAGLBSA-N 0 0 402.293 2.323 20 0 HEADRN CN(C)C(=O)c1cccc(CCNC(=O)N(C)CCCNC(=O)OC(C)(C)C)c1 ZINC000743634736 1077084634 /nfs/dbraw/zinc/08/46/34/1077084634.db2.gz BZZOUVAAGGTGMF-UHFFFAOYSA-N 0 0 406.527 2.487 20 0 HEADRN Cc1ccc(N2CC[C@H](NC(=O)NCCc3cccc(C(=O)N(C)C)c3)C2=O)cc1 ZINC000743634763 1077084689 /nfs/dbraw/zinc/08/46/89/1077084689.db2.gz CSOGUIJNQJLSDC-FQEVSTJZSA-N 0 0 408.502 2.344 20 0 HEADRN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000743637163 1077085156 /nfs/dbraw/zinc/08/51/56/1077085156.db2.gz MTKYZGOWSJHWFJ-JXFKEZNVSA-N 0 0 409.490 2.142 20 0 HEADRN CC(C)(C)OC(=O)N1CCN(C(=O)NCCCN2C(=O)COc3ccccc32)CC1 ZINC000743640869 1077086113 /nfs/dbraw/zinc/08/61/13/1077086113.db2.gz WOKDIDSVMKIXFG-UHFFFAOYSA-N 0 0 418.494 2.064 20 0 HEADRN CCC1N=NC(=S)N1CCNC(=O)[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1 ZINC000743669305 1077086728 /nfs/dbraw/zinc/08/67/28/1077086728.db2.gz ZJEHOENDSDZAMR-OAHLLOKOSA-N 0 0 401.536 2.224 20 0 HEADRN Cc1cccc(F)c1CNC(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000743676310 1077087437 /nfs/dbraw/zinc/08/74/37/1077087437.db2.gz GPAJSIWNVPTBLY-IAGOWNOFSA-N 0 0 404.530 2.466 20 0 HEADRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CCNS(=O)(=O)/C=C\c1ccccc1 ZINC000743677269 1077087578 /nfs/dbraw/zinc/08/75/78/1077087578.db2.gz BBTHLUSBPRLBHS-HVCHUGMYSA-N 0 0 404.536 2.065 20 0 HEADRN Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000743653654 1077087807 /nfs/dbraw/zinc/08/78/07/1077087807.db2.gz SOZMPLMOFBJWEX-WOJBJXKFSA-N 0 0 416.485 2.357 20 0 HEADRN C[C@@H](CNC(=O)NCCNS(=O)(=O)Cc1ccccc1)Oc1ccccc1F ZINC000743679244 1077087925 /nfs/dbraw/zinc/08/79/25/1077087925.db2.gz YUCVTKPFCZAFSG-HNNXBMFYSA-N 0 0 409.483 2.012 20 0 HEADRN CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)NC[C@@](C)(O)c3ccco3)nn2)CC1 ZINC000743654542 1077088009 /nfs/dbraw/zinc/08/80/09/1077088009.db2.gz IHGYLJVGTDUIRU-HXUWFJFHSA-N 0 0 419.482 2.081 20 0 HEADRN C[C@@](O)(CNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)c1ccco1 ZINC000743655267 1077088142 /nfs/dbraw/zinc/08/81/42/1077088142.db2.gz QHUSHUAJHNWIOI-KZULUSFZSA-N 0 0 407.264 2.419 20 0 HEADRN CC(=O)Nc1ccccc1CNC(=O)CCNS(=O)(=O)/C=C\c1ccccc1 ZINC000743656399 1077088562 /nfs/dbraw/zinc/08/85/62/1077088562.db2.gz LGXLETCKGVMHOY-OWBHPGMISA-N 0 0 401.488 2.242 20 0 HEADRN C[C@@H](c1ccccn1)N(C)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000743655993 1077088683 /nfs/dbraw/zinc/08/86/83/1077088683.db2.gz XPMSFRNODXYIBY-HNNXBMFYSA-N 0 0 412.515 2.462 20 0 HEADRN CC(C)C(=O)N1CCC[C@H]1C(=O)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000743663328 1077089208 /nfs/dbraw/zinc/08/92/08/1077089208.db2.gz MTBXANXRWKAVES-SFHVURJKSA-N 0 0 408.520 2.414 20 0 HEADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)NCC(=O)Nc1cccnc1 ZINC000743665360 1077089633 /nfs/dbraw/zinc/08/96/33/1077089633.db2.gz KDEROEBNMZSWEW-ZBFHGGJFSA-N 0 0 405.499 2.403 20 0 HEADRN CS[C@@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)C1 ZINC000743679952 1077090852 /nfs/dbraw/zinc/09/08/52/1077090852.db2.gz HTWJVOMZNRYQLQ-DOTOQJQBSA-N 0 0 418.629 2.107 20 0 HEADRN CC[C@H](C)NC(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000743699964 1077092999 /nfs/dbraw/zinc/09/29/99/1077092999.db2.gz XOVKJDNCLJQDPH-HHDOJMEMSA-N 0 0 421.563 2.119 20 0 HEADRN C[C@H](NC(=O)N1CCN(C(=O)N(C)C)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000743707127 1077094145 /nfs/dbraw/zinc/09/41/45/1077094145.db2.gz UPGLHHRXLUSOBI-LBPRGKRZSA-N 0 0 406.874 2.460 20 0 HEADRN Cc1cccc2oc(CCNC(=O)NCCNS(=O)(=O)Cc3ccccc3)nc21 ZINC000743709521 1077094316 /nfs/dbraw/zinc/09/43/16/1077094316.db2.gz WNKGTIJRKMSUIA-UHFFFAOYSA-N 0 0 416.503 2.098 20 0 HEADRN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccc(O)cc1 ZINC000743711842 1077094766 /nfs/dbraw/zinc/09/47/66/1077094766.db2.gz WHRXWHMQOYMABW-WBVHZDCISA-N 0 0 405.495 2.322 20 0 HEADRN CC(C)[C@](C)(O)CNC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000743713308 1077094903 /nfs/dbraw/zinc/09/49/03/1077094903.db2.gz GDVSIKBOLJPTRP-HXUWFJFHSA-N 0 0 401.488 2.384 20 0 HEADRN CCCC(O)(CCC)CNC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 ZINC000743714948 1077095257 /nfs/dbraw/zinc/09/52/57/1077095257.db2.gz CMDSNCHHVOSFJF-ADYPVZHUSA-N 0 0 415.534 2.237 20 0 HEADRN CC(C)CC[C@](C)(O)CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000743716327 1077095515 /nfs/dbraw/zinc/09/55/15/1077095515.db2.gz XBJDNCHIKTXPLO-SFHVURJKSA-N 0 0 411.549 2.215 20 0 HEADRN Cc1ccc(N2CCC[C@H](NC(=O)CNC(=O)c3cc(F)cc(F)c3)C2=O)cc1 ZINC000743717114 1077096136 /nfs/dbraw/zinc/09/61/36/1077096136.db2.gz PNWRDAZTCIITBX-SFHVURJKSA-N 0 0 401.413 2.315 20 0 HEADRN CCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)cc1 ZINC000743718625 1077096294 /nfs/dbraw/zinc/09/62/94/1077096294.db2.gz QBIYHDOKJOCLBE-HXUWFJFHSA-N 0 0 409.486 2.435 20 0 HEADRN O=C1CCCN1c1ccc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)cc1Cl ZINC000743729524 1077097958 /nfs/dbraw/zinc/09/79/58/1077097958.db2.gz LMZXUDCHWOFWMS-UHFFFAOYSA-N 0 0 418.866 2.243 20 0 HEADRN COCCOC[C@@H]1CCN(C(=O)CCN2C(=S)N=NC2c2ccc(OC)cc2)C1 ZINC000743750556 1077099898 /nfs/dbraw/zinc/09/98/98/1077099898.db2.gz KWZLHTGSSGCTDB-OAHLLOKOSA-N 0 0 420.535 2.144 20 0 HEADRN Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)NC[C@@]1(O)CCCc2ccccc21 ZINC000743757252 1077101375 /nfs/dbraw/zinc/10/13/75/1077101375.db2.gz NHBBJSIFKQJOMX-QHCPKHFHSA-N 0 0 404.470 2.023 20 0 HEADRN CCOc1ccc(-n2ncc(C(=O)NC[C@]3(O)CCCc4ccccc43)c2C)nn1 ZINC000743755862 1077101478 /nfs/dbraw/zinc/10/14/78/1077101478.db2.gz BTDDROKSTUHTTD-JOCHJYFZSA-N 0 0 407.474 2.323 20 0 HEADRN COc1ccc(N2C[C@@H](C(=O)NC[C@@]3(O)CCCc4ccccc43)CC2=O)c(OC)c1 ZINC000743755837 1077101497 /nfs/dbraw/zinc/10/14/97/1077101497.db2.gz BNEHRSYBOVIPIH-XDHUDOTRSA-N 0 0 424.497 2.397 20 0 HEADRN CCOC(=O)c1cc(NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)cn1C ZINC000743758007 1077101998 /nfs/dbraw/zinc/10/19/98/1077101998.db2.gz BYKGQCYUZQIKLV-UHFFFAOYSA-N 0 0 411.455 2.280 20 0 HEADRN CS(=O)(=O)c1ccc(OCCCC(=O)NCc2cccnc2-n2ccnc2)cc1 ZINC000743759157 1077102570 /nfs/dbraw/zinc/10/25/70/1077102570.db2.gz HFBVKLJZELGCDL-UHFFFAOYSA-N 0 0 414.487 2.146 20 0 HEADRN CC[C@](C)(O)CNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br ZINC000743761225 1077103534 /nfs/dbraw/zinc/10/35/34/1077103534.db2.gz VYZFKQBMODKHKJ-INIZCTEOSA-N 0 0 421.357 2.417 20 0 HEADRN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(N2CCOC2=O)c1C ZINC000743788885 1077107373 /nfs/dbraw/zinc/10/73/73/1077107373.db2.gz ARBBHBJHIGIPCW-QGZVFWFLSA-N 0 0 409.508 2.484 20 0 HEADRN COCC[C@@](C)(O)CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1 ZINC000743773746 1077108981 /nfs/dbraw/zinc/10/89/81/1077108981.db2.gz SXVBEPJQBJEESA-JOCHJYFZSA-N 0 0 416.474 2.473 20 0 HEADRN Cc1ccc(N2CCOC2=O)cc1NC(=O)CCNS(=O)(=O)c1ccccc1F ZINC000743778293 1077109630 /nfs/dbraw/zinc/10/96/30/1077109630.db2.gz YHZZFQIORKUWMF-UHFFFAOYSA-N 0 0 421.450 2.398 20 0 HEADRN Cc1ccc(N2CCOC2=O)cc1NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000743779152 1077110107 /nfs/dbraw/zinc/11/01/07/1077110107.db2.gz TWFRYNGBLQFASS-UHFFFAOYSA-N 0 0 403.460 2.211 20 0 HEADRN O=C(NCCCC(F)(F)F)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000743777840 1077110273 /nfs/dbraw/zinc/11/02/73/1077110273.db2.gz DIGONQNDGIELRK-LBPRGKRZSA-N 0 0 420.409 2.082 20 0 HEADRN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC(F)(F)F)c1 ZINC000743779613 1077110354 /nfs/dbraw/zinc/11/03/54/1077110354.db2.gz ZDPGQSOQWRMSPB-UHFFFAOYSA-N 0 0 402.822 2.337 20 0 HEADRN CC(C)N1C(=O)c2ccc(C(=O)N3CCC(OCC4CC4)CC3)cc2S1(=O)=O ZINC000743785058 1077113789 /nfs/dbraw/zinc/11/37/89/1077113789.db2.gz SNSIXHHCAATPGR-UHFFFAOYSA-N 0 0 406.504 2.271 20 0 HEADRN O=C(CNC(=O)NCc1ccc(F)cc1)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000743761914 1077116362 /nfs/dbraw/zinc/11/63/62/1077116362.db2.gz RWWUKRZDRVYTOT-GOSISDBHSA-N 0 0 413.371 2.191 20 0 HEADRN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000743764860 1077118431 /nfs/dbraw/zinc/11/84/31/1077118431.db2.gz WKWDSTCAPSSYLU-IEBWSBKVSA-N 0 0 419.407 2.332 20 0 HEADRN C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)c1nc(C(C)(C)C)no1 ZINC000743801339 1077123584 /nfs/dbraw/zinc/12/35/84/1077123584.db2.gz KTDPOIHUKJKFCK-BMFZPTHFSA-N 0 0 416.478 2.316 20 0 HEADRN COC1(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CCN(C(=O)OC(C)(C)C)CC1 ZINC000743803901 1077126072 /nfs/dbraw/zinc/12/60/72/1077126072.db2.gz RKIYRZUBPVKWRI-UHFFFAOYSA-N 0 0 419.478 2.396 20 0 HEADRN CCc1nnc(-c2ccc(NC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)cc2)o1 ZINC000743806020 1077126709 /nfs/dbraw/zinc/12/67/09/1077126709.db2.gz CYDSTUUPSPTPQF-QGZVFWFLSA-N 0 0 422.420 2.497 20 0 HEADRN CCN1C(=S)N=NC1C1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000743807158 1077127192 /nfs/dbraw/zinc/12/71/92/1077127192.db2.gz AXEFMSFSZUWDOA-UHFFFAOYSA-N 0 0 409.537 2.402 20 0 HEADRN COC(=O)Cc1csc(NC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)n1 ZINC000743814605 1077128164 /nfs/dbraw/zinc/12/81/64/1077128164.db2.gz SIZQASBZDNOLNR-UHFFFAOYSA-N 0 0 416.459 2.405 20 0 HEADRN Cn1cnc2cc(NC(=O)c3ccc4c(c3)SC3=NS(=O)(=O)CCN43)ccc21 ZINC000743813510 1077128367 /nfs/dbraw/zinc/12/83/67/1077128367.db2.gz RPSWJBRSVRORJF-UHFFFAOYSA-N 0 0 413.484 2.437 20 0 HEADRN Cc1c(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)cccc1N1CCOC1=O ZINC000743788737 1077129026 /nfs/dbraw/zinc/12/90/26/1077129026.db2.gz AVKOCRAXNNBOKT-UHFFFAOYSA-N 0 0 421.461 2.244 20 0 HEADRN Cc1c(C(=O)NCc2cccn2C)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000743790132 1077129698 /nfs/dbraw/zinc/12/96/98/1077129698.db2.gz JBWXWTUFQDAYNI-UHFFFAOYSA-N 0 0 402.499 2.427 20 0 HEADRN COC(=O)C[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000743795422 1077132269 /nfs/dbraw/zinc/13/22/69/1077132269.db2.gz NDTCTPBHSSIGQA-KRWDZBQOSA-N 0 0 424.906 2.429 20 0 HEADRN COCc1nc(CN2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cs1 ZINC000743842396 1077133153 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1079620762 /nfs/dbraw/zinc/62/07/62/1079620762.db2.gz JPSGKSMOQRERTJ-UHFFFAOYSA-N 0 0 404.488 2.489 20 0 HEADRN CCCn1cc(C(=O)O[C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)nn1 ZINC000767038366 1079622703 /nfs/dbraw/zinc/62/27/03/1079622703.db2.gz SBTXPBKQXFSZKP-PGBBXINNSA-N 0 0 403.483 2.028 20 0 HEADRN Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2cccc3c2CCCC3)s1 ZINC000771980201 1079623285 /nfs/dbraw/zinc/62/32/85/1079623285.db2.gz LPYWHBQGICWMEY-UHFFFAOYSA-N 0 0 414.574 2.192 20 0 HEADRN Cc1sc2nc(COC(=O)c3ccc(C[C@@H]4CC(=O)NC4=O)cc3)nc(N)c2c1C ZINC000771980811 1079623927 /nfs/dbraw/zinc/62/39/27/1079623927.db2.gz XNXMCBUNNKHDBY-CQSZACIVSA-N 0 0 424.482 2.453 20 0 HEADRN CCOC[C@@H]1C(=O)N(c2cccc(OCCNC(=O)OC(C)(C)C)c2)C(=O)N1C ZINC000771984092 1079628936 /nfs/dbraw/zinc/62/89/36/1079628936.db2.gz GNYIHIHMVPVBIW-MRXNPFEDSA-N 0 0 407.467 2.394 20 0 HEADRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000771986736 1079629775 /nfs/dbraw/zinc/62/97/75/1079629775.db2.gz BMJKXNPJANAWRV-ZFWWWQNUSA-N 0 0 423.535 2.039 20 0 HEADRN CCc1cc(=O)[nH]c(SCC(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)n1 ZINC000767057489 1079631104 /nfs/dbraw/zinc/63/11/04/1079631104.db2.gz LYISVIVCVKSYGY-OAHLLOKOSA-N 0 0 405.501 2.181 20 0 HEADRN CCOC(=O)CCCS(=O)(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000771990773 1079635310 /nfs/dbraw/zinc/63/53/10/1079635310.db2.gz SYSAOWVNYNWSAL-HNNXBMFYSA-N 0 0 404.529 2.133 20 0 HEADRN CC(=O)N[C@H]1CCCN(C(=O)COC(=O)c2nn(-c3ccccc3Cl)cc2C)C1 ZINC000767064591 1079636161 /nfs/dbraw/zinc/63/61/61/1079636161.db2.gz JQLZHZOWAMXBDI-HNNXBMFYSA-N 0 0 418.881 2.118 20 0 HEADRN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2nn(-c3ccccc3Cl)cc2C)CC1 ZINC000767064526 1079636590 /nfs/dbraw/zinc/63/65/90/1079636590.db2.gz IGJFZZKLLXFONR-AWEZNQCLSA-N 0 0 418.881 2.070 20 0 HEADRN CN(Cc1cnn(-c2ccccc2)n1)S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000767068057 1079639745 /nfs/dbraw/zinc/63/97/45/1079639745.db2.gz BSYVEHNQSNDIQO-UHFFFAOYSA-N 0 0 414.487 2.162 20 0 HEADRN COc1cccc(O[C@H](C)CNC(=O)N2CCC([C@H](O)c3nccn3C)CC2)c1 ZINC000771996874 1079639785 /nfs/dbraw/zinc/63/97/85/1079639785.db2.gz YRPQWOGUFYFUKQ-BEFAXECRSA-N 0 0 402.495 2.351 20 0 HEADRN C[C@@H](NC(=O)N1CCC([C@H](O)c2nccn2C)CC1)c1cn(-c2ccccc2)nn1 ZINC000771999840 1079641851 /nfs/dbraw/zinc/64/18/51/1079641851.db2.gz RAZUPMYKHGTOBZ-BEFAXECRSA-N 0 0 409.494 2.217 20 0 HEADRN CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCCCC[C@@H]1CC(=O)c1ccco1 ZINC000767070474 1079642674 /nfs/dbraw/zinc/64/26/74/1079642674.db2.gz ZWZPBJDJFCRVSD-OAHLLOKOSA-N 0 0 421.494 2.265 20 0 HEADRN CCOC(=O)N1CCCN(C(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000767071369 1079642874 /nfs/dbraw/zinc/64/28/74/1079642874.db2.gz IQGGTZIHWHCHLQ-UHFFFAOYSA-N 0 0 401.463 2.225 20 0 HEADRN NC(=O)c1cc(OC2CCN(C(=O)NCCc3cc(F)ccc3F)CC2)ccn1 ZINC000772003935 1079644641 /nfs/dbraw/zinc/64/46/41/1079644641.db2.gz WVCJFUNFEISZMV-UHFFFAOYSA-N 0 0 404.417 2.254 20 0 HEADRN Cn1ccnc1[C@H](O)C1CCN(C(=O)NCC[C@H]2COc3ccccc3O2)CC1 ZINC000772006425 1079645785 /nfs/dbraw/zinc/64/57/85/1079645785.db2.gz UPRRPMGVIQAGLH-QFBILLFUSA-N 0 0 400.479 2.105 20 0 HEADRN COc1cc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CCCCC2)ccc1OC(C)=O ZINC000772005018 1079645813 /nfs/dbraw/zinc/64/58/13/1079645813.db2.gz BECCHBLBHJENIU-GFCCVEGCSA-N 0 0 406.435 2.324 20 0 HEADRN CCOC(=O)N[C@@H](CNC(=O)N1CCC([C@H](O)c2nccn2C)CC1)CC(C)C ZINC000772004973 1079645990 /nfs/dbraw/zinc/64/59/90/1079645990.db2.gz NSVCVLDIQJXWOO-SJORKVTESA-N 0 0 409.531 2.036 20 0 HEADRN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)C1(O)CCOCC1 ZINC000772007448 1079647561 /nfs/dbraw/zinc/64/75/61/1079647561.db2.gz ZYKBQNYVLMADRO-SDNWHVSQSA-N 0 0 410.879 2.034 20 0 HEADRN COc1cc(C(=O)OCC(=O)Nc2cccc(NC(C)=O)c2)ccc1OC(C)=O ZINC000772009566 1079649467 /nfs/dbraw/zinc/64/94/67/1079649467.db2.gz UJGLHOWURBSLJL-UHFFFAOYSA-N 0 0 400.387 2.374 20 0 HEADRN NC(=O)CN(Cc1ccccc1)c1cccc(N2C(=O)N[C@@H](c3ccccn3)C2=O)c1 ZINC000772007943 1079649624 /nfs/dbraw/zinc/64/96/24/1079649624.db2.gz BRGHUUCWRWMAJS-NRFANRHFSA-N 0 0 415.453 2.371 20 0 HEADRN COc1ccc(CN(C)C(=O)NCCN(C)S(=O)(=O)c2cccs2)cc1F ZINC000772017029 1079654338 /nfs/dbraw/zinc/65/43/38/1079654338.db2.gz SGKFRQHDRBPQEO-UHFFFAOYSA-N 0 0 415.512 2.358 20 0 HEADRN CCCN(C(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000772018231 1079655104 /nfs/dbraw/zinc/65/51/04/1079655104.db2.gz HOXLQMLYNVREPZ-HUUCEWRRSA-N 0 0 420.597 2.155 20 0 HEADRN C[C@H]1CCCC[C@H]1OCCNC(=O)COC(=O)c1csc(S(C)(=O)=O)c1 ZINC000767054150 1079656061 /nfs/dbraw/zinc/65/60/61/1079656061.db2.gz FZZYLQPZJNJLAS-GXTWGEPZSA-N 0 0 403.522 2.020 20 0 HEADRN Cn1ccnc1[C@@H](O)C1CCN(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000771977161 1079656377 /nfs/dbraw/zinc/65/63/77/1079656377.db2.gz DKHFZQWROKCXJW-SJORKVTESA-N 0 0 421.542 2.275 20 0 HEADRN COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000767101620 1079657919 /nfs/dbraw/zinc/65/79/19/1079657919.db2.gz KUSNQUKJAYWMNO-KRWDZBQOSA-N 0 0 412.515 2.352 20 0 HEADRN O=C(Cn1cnc(NC(=O)c2ccc(Br)nc2)n1)N1CCCCCC1 ZINC000746521718 1079658384 /nfs/dbraw/zinc/65/83/84/1079658384.db2.gz XJWLMAWAHNLHCU-UHFFFAOYSA-N 0 0 407.272 2.091 20 0 HEADRN Cc1cccc(Cn2[nH]ccc2=NC(=O)CN2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000767103701 1079659005 /nfs/dbraw/zinc/65/90/05/1079659005.db2.gz AYAWLVCCIXTFNX-OAQYLSRUSA-N 0 0 406.486 2.379 20 0 HEADRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)NCCC1CCS(=O)(=O)CC1 ZINC000772035629 1079659264 /nfs/dbraw/zinc/65/92/64/1079659264.db2.gz PPOXBEVSMZTLQN-CABCVRRESA-N 0 0 417.572 2.241 20 0 HEADRN C[C@H](OC(=O)c1cnc(Cl)c(N)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000767106909 1079660866 /nfs/dbraw/zinc/66/08/66/1079660866.db2.gz FMARCNHWPCTGMY-LBPRGKRZSA-N 0 0 406.845 2.350 20 0 HEADRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)Nc1cccc(OCC(N)=O)c1 ZINC000772038067 1079661177 /nfs/dbraw/zinc/66/11/77/1079661177.db2.gz OPPFGWMPRVZIQS-CQSZACIVSA-N 0 0 409.508 2.232 20 0 HEADRN C[C@@H]1CN(c2ccc(NC(=O)COC(=O)CN(C)[C@H]3CCSC3)cc2)C[C@H](C)O1 ZINC000767111876 1079665414 /nfs/dbraw/zinc/66/54/14/1079665414.db2.gz MWISJZDSLRHJAG-FCEWJHQRSA-N 0 0 421.563 2.219 20 0 HEADRN COC(=O)[C@H](OC(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1)C1CC1 ZINC000772042982 1079665481 /nfs/dbraw/zinc/66/54/81/1079665481.db2.gz IWMVBGRWGJNIRM-QGZVFWFLSA-N 0 0 423.443 2.074 20 0 HEADRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C1CCCC1 ZINC000767114577 1079667826 /nfs/dbraw/zinc/66/78/26/1079667826.db2.gz NNSLVHLXQRUPNF-OAHLLOKOSA-N 0 0 424.542 2.297 20 0 HEADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C1CCCC1 ZINC000767114187 1079667937 /nfs/dbraw/zinc/66/79/37/1079667937.db2.gz KCUJHMUBZMMYAX-HNNXBMFYSA-N 0 0 402.557 2.401 20 0 HEADRN COc1ccc(OC)c(CNS(=O)(=O)CCNC(=O)OCc2ccccc2)c1 ZINC000767082846 1079667957 /nfs/dbraw/zinc/66/79/57/1079667957.db2.gz CEHFKKQWDJGKLZ-UHFFFAOYSA-N 0 0 408.476 2.050 20 0 HEADRN Cc1cc(CN2CCN(C(=O)C[C@@H]3CSCCN3C(=O)OC(C)(C)C)CC2)no1 ZINC000772046958 1079668315 /nfs/dbraw/zinc/66/83/15/1079668315.db2.gz NYYVKNFRJIGWOJ-QGZVFWFLSA-N 0 0 424.567 2.370 20 0 HEADRN 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421.324 2.215 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c(=O)[nH]c1=O ZINC000769661299 1078498752 /nfs/dbraw/zinc/49/87/52/1078498752.db2.gz RISUQPCWJGYAJS-BMFZPTHFSA-N 0 0 413.540 2.011 20 0 HEADRN Cc1nn(-c2ccc(F)cc2)nc1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000745468217 1078500289 /nfs/dbraw/zinc/50/02/89/1078500289.db2.gz INTLBOGXFYHBFB-UHFFFAOYSA-N 0 0 410.361 2.085 20 0 HEADRN O=C(NCCc1ccco1)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO ZINC000745475708 1078504372 /nfs/dbraw/zinc/50/43/72/1078504372.db2.gz JVOJEGCZIVJKND-AWEZNQCLSA-N 0 0 412.533 2.239 20 0 HEADRN CC(=O)NCc1ccc(C(=O)COC(=O)c2nn(-c3ccc(F)cc3)nc2C)cc1 ZINC000745469023 1078501485 /nfs/dbraw/zinc/50/14/85/1078501485.db2.gz NZYLCCLSIJJUDT-UHFFFAOYSA-N 0 0 410.405 2.391 20 0 HEADRN Cc1nn(-c2ccc(F)cc2)nc1C(=O)OCC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000745470391 1078502051 /nfs/dbraw/zinc/50/20/51/1078502051.db2.gz UQTYZZRYVGZIOZ-LRDDRELGSA-N 0 0 417.441 2.276 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)c(=O)[nH]c1=O ZINC000769662797 1078502331 /nfs/dbraw/zinc/50/23/31/1078502331.db2.gz BBQRRJHVTHAGPS-DOTOQJQBSA-N 0 0 423.535 2.320 20 0 HEADRN CCOC(=O)c1ccc(N2CCCN(C(=O)c3ccc(-n4cccn4)nc3)CC2)nc1 ZINC000745471405 1078502347 /nfs/dbraw/zinc/50/23/47/1078502347.db2.gz LTBXRERZXWTILT-UHFFFAOYSA-N 0 0 420.473 2.192 20 0 HEADRN O=C(COC(=O)[C@@H]1SCCc2ccccc21)N1CCC(C(=O)N2CCCC2)CC1 ZINC000745472033 1078502504 /nfs/dbraw/zinc/50/25/04/1078502504.db2.gz GPQUFIHEEFTDRO-HXUWFJFHSA-N 0 0 416.543 2.421 20 0 HEADRN COC(=O)[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)Cc2ccccc21 ZINC001170008989 1078503155 /nfs/dbraw/zinc/50/31/55/1078503155.db2.gz LCHJSJYVUGLRSJ-AWEZNQCLSA-N 0 0 408.863 2.051 20 0 HEADRN COc1ccc([C@H]2[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)CC(=O)N2C)cc1 ZINC000769664969 1078504552 /nfs/dbraw/zinc/50/45/52/1078504552.db2.gz FOPKDLBVNASTSM-WDYCEAGBSA-N 0 0 417.506 2.340 20 0 HEADRN COC(=O)C1(NS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)CCC1 ZINC000769666305 1078504963 /nfs/dbraw/zinc/50/49/63/1078504963.db2.gz FBPAVTDXTSHKNN-UHFFFAOYSA-N 0 0 424.519 2.050 20 0 HEADRN C[C@@H](O)[C@H]1CCCN(S(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000769666292 1078505073 /nfs/dbraw/zinc/50/50/73/1078505073.db2.gz DWZKUTACNGVXIJ-XLIONFOSSA-N 0 0 424.563 2.458 20 0 HEADRN C[C@H]1COCCN(S(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000769666062 1078505826 /nfs/dbraw/zinc/50/58/26/1078505826.db2.gz IPVVWJZYDJDMAB-QGZVFWFLSA-N 0 0 410.536 2.333 20 0 HEADRN CN1C(=O)c2ccc(NC(=O)COC(=O)[C@H]3SCCc4ccccc43)cc2C1=O ZINC000745479584 1078506180 /nfs/dbraw/zinc/50/61/80/1078506180.db2.gz PKQIQTCPURZDQW-SFHVURJKSA-N 0 0 410.451 2.425 20 0 HEADRN COc1ccc(NC(=O)COC(=O)[C@H](c2ccccc2F)N2CCOCC2)cc1 ZINC000745492377 1078507692 /nfs/dbraw/zinc/50/76/92/1078507692.db2.gz GDIJFAYYTDKTIV-FQEVSTJZSA-N 0 0 402.422 2.390 20 0 HEADRN CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)C1 ZINC000745494991 1078509177 /nfs/dbraw/zinc/50/91/77/1078509177.db2.gz 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O=C(COC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1)NCC1CC1 ZINC000745505946 1078517983 /nfs/dbraw/zinc/51/79/83/1078517983.db2.gz LDZPGKSRLMQCHJ-KRWDZBQOSA-N 0 0 401.290 2.436 20 0 HEADRN Cc1cccc(C2N=NC(=S)N2CCC(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000769728667 1078518139 /nfs/dbraw/zinc/51/81/39/1078518139.db2.gz ISSSDIQQBFMPFD-MRXNPFEDSA-N 0 0 422.576 2.358 20 0 HEADRN CN(C[C@@H]1CCCN(C(=O)CNC(=O)c2cccc(O)c2)C1)C(=O)OC(C)(C)C ZINC000769688798 1078520360 /nfs/dbraw/zinc/52/03/60/1078520360.db2.gz JPDHSEPGGTULJY-HNNXBMFYSA-N 0 0 405.495 2.228 20 0 HEADRN CN(Cc1nnnn1CC1CCOCC1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769732602 1078520383 /nfs/dbraw/zinc/52/03/83/1078520383.db2.gz ZWPMIAWMGLILEA-UHFFFAOYSA-N 0 0 408.547 2.367 20 0 HEADRN C[C@@H](OC(=O)c1ccccc1Cn1cncn1)C(=O)NC(=O)Nc1ccccc1F ZINC000745528641 1078524995 /nfs/dbraw/zinc/52/49/95/1078524995.db2.gz XVSORPOKQHKEPT-CYBMUJFWSA-N 0 0 411.393 2.359 20 0 HEADRN CC(C)(C(N)=O)C(=O)OCC(=O)N=c1sccn1Cc1cccc2ccccc21 ZINC000769690627 1078521438 /nfs/dbraw/zinc/52/14/38/1078521438.db2.gz FJJCQPPGPFLTLF-UHFFFAOYSA-N 0 0 411.483 2.233 20 0 HEADRN O=C(CNC(=O)COC(=O)CCC(F)(F)F)Nc1ccccc1Br ZINC000745520972 1078521422 /nfs/dbraw/zinc/52/14/22/1078521422.db2.gz AFDMBEBMVOQGJT-UHFFFAOYSA-N 0 0 411.174 2.390 20 0 HEADRN Cc1ccccc1[C@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccccc2)CCO1 ZINC000745523219 1078522037 /nfs/dbraw/zinc/52/20/37/1078522037.db2.gz ZFPKQQNYQUWCGF-HXUWFJFHSA-N 0 0 417.531 2.198 20 0 HEADRN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2Cn2cncn2)c1C ZINC000745523988 1078522791 /nfs/dbraw/zinc/52/27/91/1078522791.db2.gz WDTCLNXKEWWVOF-UHFFFAOYSA-N 0 0 410.430 2.488 20 0 HEADRN CCOC(=O)c1ccc(Br)c(S(=O)(=O)N[C@H]2CCO[C@@H](C)C2)c1 ZINC000769693873 1078522816 /nfs/dbraw/zinc/52/28/16/1078522816.db2.gz SICHCDSLVARSBD-JQWIXIFHSA-N 0 0 406.298 2.472 20 0 HEADRN Cc1cc(NC(=O)c2cc(S(C)(=O)=O)ccc2F)n(-c2cc(C)nc(C)n2)n1 ZINC000769695992 1078523085 /nfs/dbraw/zinc/52/30/85/1078523085.db2.gz FWMMPMONLVMLHW-UHFFFAOYSA-N 0 0 403.439 2.382 20 0 HEADRN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccccc2Cn2cncn2)c1C ZINC000745525478 1078523725 /nfs/dbraw/zinc/52/37/25/1078523725.db2.gz GLQGDSBZKBQMNR-AWEZNQCLSA-N 0 0 410.430 2.486 20 0 HEADRN O=C(COC(=O)c1ccccc1Cn1cncn1)c1ccc(N2CCCC2=O)cc1 ZINC000745526265 1078524032 /nfs/dbraw/zinc/52/40/32/1078524032.db2.gz NPCGHVJTWQTQLX-UHFFFAOYSA-N 0 0 404.426 2.493 20 0 HEADRN CN(C)c1ncncc1NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC000769700281 1078525171 /nfs/dbraw/zinc/52/51/71/1078525171.db2.gz UZSWCFPJXIRSBG-KRWDZBQOSA-N 0 0 410.478 2.458 20 0 HEADRN CC(C)c1nn(C)c2sc(C(=O)O[C@H](C)C(=O)N3CCC(C(N)=O)CC3)cc12 ZINC000745534878 1078526024 /nfs/dbraw/zinc/52/60/24/1078526024.db2.gz FTCRVGSBXDFQCZ-LLVKDONJSA-N 0 0 406.508 2.027 20 0 HEADRN COc1ccc(C(=O)Nc2ccsc2C(N)=O)cc1S(=O)(=O)NC(C)(C)C ZINC000769702069 1078526127 /nfs/dbraw/zinc/52/61/27/1078526127.db2.gz QXRRDVHRCVULEF-UHFFFAOYSA-N 0 0 411.505 2.185 20 0 HEADRN CNC(=O)c1cccc(COC(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)c1 ZINC000745540678 1078533557 /nfs/dbraw/zinc/53/35/57/1078533557.db2.gz GOZDQTKVWFWSOT-MRXNPFEDSA-N 0 0 419.503 2.083 20 0 HEADRN COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)O[C@H](C)C(=O)NC(N)=O ZINC000745540586 1078533569 /nfs/dbraw/zinc/53/35/69/1078533569.db2.gz RKXKVKJEHUUPDR-MRVPVSSYSA-N 0 0 415.830 2.436 20 0 HEADRN CC(C)c1nn(C)c2sc(C(=O)OCC(=O)c3ccc(S(N)(=O)=O)cc3)cc12 ZINC000745535841 1078526700 /nfs/dbraw/zinc/52/67/00/1078526700.db2.gz NZASWUXJUZQGOV-UHFFFAOYSA-N 0 0 421.500 2.445 20 0 HEADRN O=C(COC(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1)NCc1ccco1 ZINC000745536286 1078526755 /nfs/dbraw/zinc/52/67/55/1078526755.db2.gz QESRSLWJZLICQV-CYBMUJFWSA-N 0 0 400.460 2.360 20 0 HEADRN Cc1nccn1-c1ccc(CNC(=O)c2nccn3c(Br)cnc23)cn1 ZINC000769715766 1078533621 /nfs/dbraw/zinc/53/36/21/1078533621.db2.gz XLPMTOUTICRIPQ-UHFFFAOYSA-N 0 0 412.251 2.311 20 0 HEADRN NC(=O)C1(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2Cl)CC1 ZINC000769701570 1078526842 /nfs/dbraw/zinc/52/68/42/1078526842.db2.gz KLIZSPGIOZCYPQ-UHFFFAOYSA-N 0 0 411.842 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COC(=O)c1cc(COC(=O)Cn2cc(-c3ccccc3)nn2)cc(C(=O)OC)c1 ZINC000766906468 1079515938 /nfs/dbraw/zinc/51/59/38/1079515938.db2.gz QPHBQXAPOCWTJQ-UHFFFAOYSA-N 0 0 409.398 2.262 20 0 HEADRN COc1ccc(-c2ccc(C(=O)N3CCC(C(=O)NCCO)CC3)c(F)c2)cc1 ZINC000771763278 1079516942 /nfs/dbraw/zinc/51/69/42/1079516942.db2.gz CHLVATYMCLFJPV-UHFFFAOYSA-N 0 0 400.450 2.462 20 0 HEADRN COCCS(=O)(=O)c1ccc(-c2nc(Cc3c(C)nn(C)c3Cl)no2)cc1 ZINC000771766657 1079521570 /nfs/dbraw/zinc/52/15/70/1079521570.db2.gz OZVKKCYUUWJBPP-UHFFFAOYSA-N 0 0 410.883 2.443 20 0 HEADRN CCCOc1c(Cl)cc(C(=O)N2CCC(C(=O)NCCO)CC2)cc1OCC ZINC000771768388 1079521685 /nfs/dbraw/zinc/52/16/85/1079521685.db2.gz IDAJRMFBBDAIOT-UHFFFAOYSA-N 0 0 412.914 2.488 20 0 HEADRN Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)COc3cccc(C=O)c3)CC2)c1 ZINC000771766972 1079521838 /nfs/dbraw/zinc/52/18/38/1079521838.db2.gz XPOSYFKDCYFAMK-UHFFFAOYSA-N 0 0 410.470 2.245 20 0 HEADRN O=C(NCCO)C1CCN(C(=O)c2c3c(sc2-n2cccc2)CCCC3)CC1 ZINC000771770207 1079523618 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CCC1CCC2(CC1)NC(=O)N(c1ccc(NC(=O)CN3CCOCC3)cc1)C2=O ZINC000771833028 1079528642 /nfs/dbraw/zinc/52/86/42/1079528642.db2.gz FQNNNCIUNUCZGP-UHFFFAOYSA-N 0 0 414.506 2.353 20 0 HEADRN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)[C@H](C)Cc2ccc(O)cc2)C1=O ZINC000766940614 1079528826 /nfs/dbraw/zinc/52/88/26/1079528826.db2.gz AJCALKVHRAZABA-WAIKUNEKSA-N 0 0 424.501 2.144 20 0 HEADRN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)[C@H](C)Cc2ccc(O)cc2)C1=O ZINC000766940609 1079528968 /nfs/dbraw/zinc/52/89/68/1079528968.db2.gz AJCALKVHRAZABA-MWTRTKDXSA-N 0 0 424.501 2.144 20 0 HEADRN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)[C@@H](C)Cc2ccc(O)cc2)C1=O ZINC000766940612 1079529108 /nfs/dbraw/zinc/52/91/08/1079529108.db2.gz AJCALKVHRAZABA-QMHKHESXSA-N 0 0 424.501 2.144 20 0 HEADRN CS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)c1 ZINC000771834884 1079529965 /nfs/dbraw/zinc/52/99/65/1079529965.db2.gz VNCCLNFEQUBLQA-QGZVFWFLSA-N 0 0 416.434 2.062 20 0 HEADRN O=C(NC[C@@H]1CCCO1)Nc1ccc(N2C(=O)N[C@H](Cc3ccccn3)C2=O)cc1 ZINC000771838352 1079531388 /nfs/dbraw/zinc/53/13/88/1079531388.db2.gz BGNKRDDNTXWFSD-ZWKOTPCHSA-N 0 0 409.446 2.050 20 0 HEADRN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2F)C1 ZINC000771839764 1079531898 /nfs/dbraw/zinc/53/18/98/1079531898.db2.gz MDZAIDKUJLWQOT-LBPRGKRZSA-N 0 0 400.472 2.311 20 0 HEADRN O=C(NC[C@@H]1CCCO1)Nc1ccc(N2C(=O)N[C@H](CC(F)(F)F)C2=O)cc1 ZINC000771843642 1079533382 /nfs/dbraw/zinc/53/33/82/1079533382.db2.gz ODCXQMGLXZUTQY-QWHCGFSZSA-N 0 0 400.357 2.364 20 0 HEADRN Cc1ccc(COC(=O)[C@@H](NS(=O)(=O)c2ccc(C)c(C)c2)[C@@H](C)O)c(C)n1 ZINC000771845046 1079534625 /nfs/dbraw/zinc/53/46/25/1079534625.db2.gz GRHLSNOENPXJOS-APWZRJJASA-N 0 0 406.504 2.086 20 0 HEADRN Cc1ccc(S(=O)(=O)NCCC(=O)OCc2cn(Cc3ccccc3)nn2)cc1 ZINC000771845073 1079534633 /nfs/dbraw/zinc/53/46/33/1079534633.db2.gz IBZOGHZUANPEMN-UHFFFAOYSA-N 0 0 414.487 2.047 20 0 HEADRN Cc1noc(C)c1C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 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C[C@]1(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)CCc2ccccc2C1 ZINC000745666121 1078579340 /nfs/dbraw/zinc/57/93/40/1078579340.db2.gz FBWKWSIIGQLUDZ-FQEVSTJZSA-N 0 0 402.472 2.011 20 0 HEADRN CC[C@@H](C(=O)OCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)N1CCCC1=O ZINC000745692720 1078588222 /nfs/dbraw/zinc/58/82/22/1078588222.db2.gz XKXUDPPLMGLFTN-KRWDZBQOSA-N 0 0 403.479 2.051 20 0 HEADRN CCOC(=O)c1cnn2c1nccc2C(=O)O[C@@H](C(=O)OC)c1ccccc1F ZINC000769856016 1078579601 /nfs/dbraw/zinc/57/96/01/1078579601.db2.gz YOOKGDGYXAVZEL-OAHLLOKOSA-N 0 0 401.350 2.116 20 0 HEADRN C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000745693093 1078588230 /nfs/dbraw/zinc/58/82/30/1078588230.db2.gz BCUZEUZXRCBAOC-HXPMCKFVSA-N 0 0 401.459 2.237 20 0 HEADRN Cc1cc(N2CCCC2)ccc1NC(=O)Cn1nnnc1CNC(=O)OC(C)(C)C ZINC000769857395 1078580069 /nfs/dbraw/zinc/58/00/69/1078580069.db2.gz LXJUSIKAGGEUSK-UHFFFAOYSA-N 0 0 415.498 2.245 20 0 HEADRN C[C@@H](NC(=O)N1CCNC(=O)[C@H]1c1cccs1)c1cccc(NS(C)(=O)=O)c1 ZINC000745669668 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ZINC000740397595 1076163741 /nfs/dbraw/zinc/16/37/41/1076163741.db2.gz INZZCNBFPVNISU-YHWZYXNKSA-N 0 0 410.264 2.481 20 0 HEADRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)C2C[C@@H]3COC[C@H](C2)C3=O)cc1 ZINC000740400700 1076164321 /nfs/dbraw/zinc/16/43/21/1076164321.db2.gz SXGUYRRBTZJAMP-ALOPSCKCSA-N 0 0 417.458 2.367 20 0 HEADRN COC(=O)C1(NC(=O)COC(=O)c2cccc(OCC(F)(F)F)n2)CCCCC1 ZINC000740422189 1076166487 /nfs/dbraw/zinc/16/64/87/1076166487.db2.gz FNICTAUCWWBWFI-UHFFFAOYSA-N 0 0 418.368 2.172 20 0 HEADRN O=C(Nc1cccc(CN2CCOC2=O)c1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000740434889 1076168096 /nfs/dbraw/zinc/16/80/96/1076168096.db2.gz JINNDUCOZOIYDX-UHFFFAOYSA-N 0 0 410.356 2.297 20 0 HEADRN COc1ccc([C@@H](O)CNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 ZINC000740484005 1076169783 /nfs/dbraw/zinc/16/97/83/1076169783.db2.gz KGHZVIYYXOFEFS-ROUUACIJSA-N 0 0 403.866 2.487 20 0 HEADRN COc1cccc([C@@H](O)CNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000740484722 1076170306 /nfs/dbraw/zinc/17/03/06/1076170306.db2.gz SNSOSKNBNLPORU-ROUUACIJSA-N 0 0 403.866 2.487 20 0 HEADRN Cc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccco2)cc1S(=O)(=O)NC(C)(C)C ZINC000740491106 1076171568 /nfs/dbraw/zinc/17/15/68/1076171568.db2.gz HPZSJQXYFXEDHE-AWEZNQCLSA-N 0 0 421.519 2.351 20 0 HEADRN O=C(NC[C@@H](O)c1ccsc1)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000740498267 1076175816 /nfs/dbraw/zinc/17/58/16/1076175816.db2.gz JHHWYVXSDSVKIN-OAHLLOKOSA-N 0 0 409.895 2.026 20 0 HEADRN CC1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H](O)c2ccsc2)CC1 ZINC000740498129 1076175964 /nfs/dbraw/zinc/17/59/64/1076175964.db2.gz HCEOFQFTRHUPJS-GOSISDBHSA-N 0 0 415.515 2.409 20 0 HEADRN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)NC[C@@H](O)c3ccsc3)c2)n1 ZINC000740499830 1076176602 /nfs/dbraw/zinc/17/66/02/1076176602.db2.gz RVNVRXJQFABQDA-MRXNPFEDSA-N 0 0 412.471 2.261 20 0 HEADRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)NC[C@H](O)c1ccsc1 ZINC000740503304 1076178048 /nfs/dbraw/zinc/17/80/48/1076178048.db2.gz MNLOCEDPMJSGSE-KRWDZBQOSA-N 0 0 403.504 2.231 20 0 HEADRN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)NC[C@@H](O)c1ccsc1 ZINC000740503307 1076178134 /nfs/dbraw/zinc/17/81/34/1076178134.db2.gz MNLOCEDPMJSGSE-QGZVFWFLSA-N 0 0 403.504 2.231 20 0 HEADRN COc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccsc2)cc1OCC(F)(F)F ZINC000740502769 1076178192 /nfs/dbraw/zinc/17/81/92/1076178192.db2.gz IURBPUAQRAMPHV-GFCCVEGCSA-N 0 0 418.393 2.486 20 0 HEADRN CC(=O)N(Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccsc2)cc1)C(C)C ZINC000740503722 1076179176 /nfs/dbraw/zinc/17/91/76/1076179176.db2.gz OGUBLEXEIJQYFX-SFHVURJKSA-N 0 0 403.504 2.293 20 0 HEADRN CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)NCCNC(=O)OC(C)(C)C ZINC000740453233 1076180096 /nfs/dbraw/zinc/18/00/96/1076180096.db2.gz DOPQYPCFWYOLDK-UHFFFAOYSA-N 0 0 414.528 2.410 20 0 HEADRN COC(=O)CCCc1nnc(NC(=O)NC[C@@]2(O)CCCc3ccccc32)s1 ZINC000740464825 1076182360 /nfs/dbraw/zinc/18/23/60/1076182360.db2.gz NSWMHQJERNPBGL-IBGZPJMESA-N 0 0 404.492 2.379 20 0 HEADRN COC(=O)CCCc1nnc(NC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)s1 ZINC000740465975 1076182937 /nfs/dbraw/zinc/18/29/37/1076182937.db2.gz WMOCYFMLBUEULS-LLVKDONJSA-N 0 0 417.491 2.435 20 0 HEADRN O=C(NCc1cn2ccccc2n1)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000740469635 1076184620 /nfs/dbraw/zinc/18/46/20/1076184620.db2.gz WAIUCVCDEPUJLF-OAHLLOKOSA-N 0 0 402.838 2.292 20 0 HEADRN C[C@](O)(CNC(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1)c1cccs1 ZINC000740478075 1076185643 /nfs/dbraw/zinc/18/56/43/1076185643.db2.gz BFRNLYVDWXRJHB-RXVVDRJESA-N 0 0 403.548 2.198 20 0 HEADRN COc1ccccc1CC(=O)N1CCC(NC(=O)NC[C@@H](O)c2ccsc2)CC1 ZINC000740480284 1076186874 /nfs/dbraw/zinc/18/68/74/1076186874.db2.gz SHBVLDZQGWPHCX-GOSISDBHSA-N 0 0 417.531 2.323 20 0 HEADRN CCOC(=O)CN1CCC(COC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 ZINC000740550033 1076190820 /nfs/dbraw/zinc/19/08/20/1076190820.db2.gz BQYCPIXYYLNGGE-HXUWFJFHSA-N 0 0 416.518 2.162 20 0 HEADRN CCOC(=O)CN1CCC(COC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000740550325 1076190985 /nfs/dbraw/zinc/19/09/85/1076190985.db2.gz IWBNEBVZSXEAEV-FQEVSTJZSA-N 0 0 416.518 2.357 20 0 HEADRN CCOC(=O)CN1CCC(COC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1 ZINC000740550791 1076191026 /nfs/dbraw/zinc/19/10/26/1076191026.db2.gz XDUCDKFTDVDPEV-SFHVURJKSA-N 0 0 422.547 2.100 20 0 HEADRN CCN(C(=O)C[C@H]1CCOC1)S(=O)(=O)c1ccc(I)cc1 ZINC000740559087 1076192924 /nfs/dbraw/zinc/19/29/24/1076192924.db2.gz YHERJRSHCFDMJI-LLVKDONJSA-N 0 0 423.272 2.255 20 0 HEADRN COc1ccc([C@H]2[C@H](COC(=O)C3C[C@@H]4COC[C@H](C3)C4=O)CCC(=O)N2C)cc1 ZINC000740563369 1076193657 /nfs/dbraw/zinc/19/36/57/1076193657.db2.gz XFZXYOYHOYBCBV-LDNXJKPSSA-N 0 0 415.486 2.390 20 0 HEADRN C[C@H](C(=O)OC[C@H]1CCN(C(=O)OC(C)(C)C)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000740574432 1076195181 /nfs/dbraw/zinc/19/51/81/1076195181.db2.gz QZEFLORWBXCZNR-KGLIPLIRSA-N 0 0 409.483 2.040 20 0 HEADRN CC(C)(C)OC(=O)N1CC[C@@H](COC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)C1 ZINC000740576496 1076195208 /nfs/dbraw/zinc/19/52/08/1076195208.db2.gz HMSGAUSEVPLPCT-CQSZACIVSA-N 0 0 417.462 2.292 20 0 HEADRN CC(C)(C)OC(=O)N1CC[C@H](COC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000740581377 1076196213 /nfs/dbraw/zinc/19/62/13/1076196213.db2.gz QTYJARKHBDCNOD-HRCADAONSA-N 0 0 408.495 2.352 20 0 HEADRN CC(=O)NCC(=O)N1CCc2cc(C(=O)OC[C@@H]3Cc4cc(F)ccc4O3)ccc21 ZINC000740581262 1076196328 /nfs/dbraw/zinc/19/63/28/1076196328.db2.gz PGRYCKFMUGYYIG-SFHVURJKSA-N 0 0 412.417 2.011 20 0 HEADRN O=C(OC[C@H]1Cc2cc(F)ccc2O1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000740590366 1076196675 /nfs/dbraw/zinc/19/66/75/1076196675.db2.gz LDNAONFPZGSANX-RHSMWYFYSA-N 0 0 413.401 2.497 20 0 HEADRN COc1ccc(NC(=O)C(=O)NC[C@](C)(O)c2cccs2)cc1Br ZINC000740516984 1076200336 /nfs/dbraw/zinc/20/03/36/1076200336.db2.gz IRZLIGWUXZTOOE-INIZCTEOSA-N 0 0 413.293 2.482 20 0 HEADRN COc1cccc2c1OC[C@H](NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1)C2 ZINC000740657385 1076210074 /nfs/dbraw/zinc/21/00/74/1076210074.db2.gz FIMRGHRFSZTMRL-CQSZACIVSA-N 0 0 411.426 2.354 20 0 HEADRN Cc1cc(NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)c(C(N)=O)cc1F ZINC000740664359 1076210868 /nfs/dbraw/zinc/21/08/68/1076210868.db2.gz ICWDYSXPNHYHCW-UHFFFAOYSA-N 0 0 400.378 2.411 20 0 HEADRN COC(=O)C[C@@H]1CSCCN1C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000740665897 1076211557 /nfs/dbraw/zinc/21/15/57/1076211557.db2.gz KZACIJQJUPYIFI-QULHZPMSSA-N 0 0 416.543 2.446 20 0 HEADRN COC(=O)C[C@@H]1CSCCN1C(=O)c1csc(CNC(=O)OC(C)(C)C)n1 ZINC000740666643 1076211590 /nfs/dbraw/zinc/21/15/90/1076211590.db2.gz SDOAEDJKPYLFRR-LLVKDONJSA-N 0 0 415.537 2.289 20 0 HEADRN O=C(OC[C@H]1Cc2cc(F)ccc2O1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000740595008 1076211909 /nfs/dbraw/zinc/21/19/09/1076211909.db2.gz UVCAJXJRNBWSEG-QGZVFWFLSA-N 0 0 420.462 2.168 20 0 HEADRN CCN1CCN(CC(=O)O[C@@H](C)c2sc(Cc3ccccc3)nc2C)C(=O)C1=O ZINC000740598394 1076211924 /nfs/dbraw/zinc/21/19/24/1076211924.db2.gz QRJXLIPVKPSLLL-HNNXBMFYSA-N 0 0 415.515 2.337 20 0 HEADRN CN1C(=O)CC[C@H](COC(=O)CCN2C(=O)CCC2=O)[C@H]1c1cccc(Cl)c1 ZINC000740605851 1076213206 /nfs/dbraw/zinc/21/32/06/1076213206.db2.gz QRTVSFUJYFONPT-JLTOFOAXSA-N 0 0 406.866 2.332 20 0 HEADRN CN1C(=O)CC[C@@H](COC(=O)Cc2nc3ncccn3n2)[C@H]1c1cccc(Cl)c1 ZINC000740604599 1076213308 /nfs/dbraw/zinc/21/33/08/1076213308.db2.gz NQZJSNNYQVIWKD-IFXJQAMLSA-N 0 0 413.865 2.473 20 0 HEADRN CN1C(=O)CC[C@H](COC(=O)CCN2C(=O)CCC2=O)[C@@H]1c1cccc(Cl)c1 ZINC000740605853 1076213329 /nfs/dbraw/zinc/21/33/29/1076213329.db2.gz QRTVSFUJYFONPT-VLIAUNLRSA-N 0 0 406.866 2.332 20 0 HEADRN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3C[C@H](C)C(=O)Nc4ccccc43)C2=O)cc1 ZINC000740713372 1076214504 /nfs/dbraw/zinc/21/45/04/1076214504.db2.gz MUBKLQXTUANZDK-NPMXOYFQSA-N 0 0 420.469 2.383 20 0 HEADRN Cc1ccc(CN2C[C@H](C(=O)N3CCN(C4=NCC(C)(C)S4)CC3)CC2=O)cc1 ZINC000740714245 1076214985 /nfs/dbraw/zinc/21/49/85/1076214985.db2.gz PYQYCGGTZBJMPM-GOSISDBHSA-N 0 0 414.575 2.369 20 0 HEADRN Cc1ccc(CN2C[C@@H](C(=O)N3CCN(C4=NCC(C)(C)S4)CC3)CC2=O)cc1 ZINC000740714246 1076215048 /nfs/dbraw/zinc/21/50/48/1076215048.db2.gz PYQYCGGTZBJMPM-SFHVURJKSA-N 0 0 414.575 2.369 20 0 HEADRN O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)OCc1cnccn1 ZINC000740677446 1076223113 /nfs/dbraw/zinc/22/31/13/1076223113.db2.gz CTEMFDUZQAHXLZ-UHFFFAOYSA-N 0 0 404.220 2.359 20 0 HEADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)OC)C(C)(C)C)ccc1F ZINC000740675892 1076223154 /nfs/dbraw/zinc/22/31/54/1076223154.db2.gz ULAGGUSUGPSEMH-HNNXBMFYSA-N 0 0 402.488 2.174 20 0 HEADRN Cc1nnc(-c2ccc(NC(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)cc2)o1 ZINC000740688939 1076224529 /nfs/dbraw/zinc/22/45/29/1076224529.db2.gz QMIVWQHNYDTNJT-QFIPXVFZSA-N 0 0 417.425 2.377 20 0 HEADRN CC(C)n1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000740696670 1076226490 /nfs/dbraw/zinc/22/64/90/1076226490.db2.gz CXHRFPJOLBKVSX-HZPDHXFCSA-N 0 0 420.535 2.443 20 0 HEADRN CC(C)CN(C(=O)Cc1ccn(C(C)C)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000740696660 1076226559 /nfs/dbraw/zinc/22/65/59/1076226559.db2.gz CQDVABNBSALCNS-UHFFFAOYSA-N 0 0 404.515 2.196 20 0 HEADRN CC(C)c1nncn1CCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000740705266 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1076807443 /nfs/dbraw/zinc/80/74/43/1076807443.db2.gz BSAUYSYHKUPXPZ-UHFFFAOYSA-N 0 0 419.455 2.022 20 0 HEADRN CCOc1ccc(CCC2CCN(S(=O)(=O)CCS(C)(=O)=O)CC2)cc1 ZINC000742273272 1076807842 /nfs/dbraw/zinc/80/78/42/1076807842.db2.gz QHKRBWFKIBQNNP-UHFFFAOYSA-N 0 0 403.566 2.104 20 0 HEADRN O=S(=O)(CC1CCOCC1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000742274656 1076807998 /nfs/dbraw/zinc/80/79/98/1076807998.db2.gz RKWZMHWICRRHBK-UHFFFAOYSA-N 0 0 422.469 2.459 20 0 HEADRN CN(Cc1cnn(-c2ccccc2)n1)S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000742277658 1076808841 /nfs/dbraw/zinc/80/88/41/1076808841.db2.gz PKYHGLYKWLBODY-UHFFFAOYSA-N 0 0 412.450 2.413 20 0 HEADRN Cc1cc(Br)c(S(=O)(=O)NCC(=O)NCc2ccccc2)s1 ZINC000742277217 1076808976 /nfs/dbraw/zinc/80/89/76/1076808976.db2.gz UTDIYULHEXPSAV-UHFFFAOYSA-N 0 0 403.323 2.414 20 0 HEADRN CCCC(=O)Nc1cccc(CNS(=O)(=O)C2CCN(C(=O)OCC)CC2)c1 ZINC000742278768 1076809021 /nfs/dbraw/zinc/80/90/21/1076809021.db2.gz LMDCKTSGRPUNAJ-UHFFFAOYSA-N 0 0 411.524 2.466 20 0 HEADRN COC(=O)c1ccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000742279255 1076809326 /nfs/dbraw/zinc/80/93/26/1076809326.db2.gz HEWIODWFEJSXSU-UHFFFAOYSA-N 0 0 412.508 2.413 20 0 HEADRN CCOC(=O)CN(CC)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742279990 1076809338 /nfs/dbraw/zinc/80/93/38/1076809338.db2.gz NMRAJTUECHJJAK-KRWDZBQOSA-N 0 0 412.508 2.002 20 0 HEADRN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000742252547 1076809879 /nfs/dbraw/zinc/80/98/79/1076809879.db2.gz HEBHJTLSISSAGY-GDLZYMKVSA-N 0 0 414.531 2.288 20 0 HEADRN Cc1nnc(CN(C)CC(=O)Nc2cccc(CNC(=O)OC(C)(C)C)c2)n1C ZINC000742253975 1076809970 /nfs/dbraw/zinc/80/99/70/1076809970.db2.gz QMHADMVGURODGU-UHFFFAOYSA-N 0 0 402.499 2.219 20 0 HEADRN O=C(NCC[S@@](=O)Cc1ccccc1)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000742252442 1076809987 /nfs/dbraw/zinc/80/99/87/1076809987.db2.gz BCQWPWFZPHWANJ-PIIWDFAUSA-N 0 0 404.507 2.264 20 0 HEADRN CC(C)(C)OC(=O)NCC1(NC(=O)c2cn(CC(=O)C(C)(C)C)nn2)CCCC1 ZINC000742253568 1076810165 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CCN(CC)C(=O)c1cccc(OS(=O)(=O)c2ccc(OCC(=O)OC)cc2)c1 ZINC000742305240 1076813400 /nfs/dbraw/zinc/81/34/00/1076813400.db2.gz UZBSHCQKVDDISZ-UHFFFAOYSA-N 0 0 421.471 2.488 20 0 HEADRN COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000742306793 1076813650 /nfs/dbraw/zinc/81/36/50/1076813650.db2.gz WSDYHDQPEUDEQJ-UONOGXRCSA-N 0 0 423.940 2.103 20 0 HEADRN COc1cccc([C@H](NS(=O)(=O)CCS(C)(=O)=O)c2ccccc2Cl)c1 ZINC000742306537 1076813791 /nfs/dbraw/zinc/81/37/91/1076813791.db2.gz RCEPHMXOFUBJCC-KRWDZBQOSA-N 0 0 417.936 2.402 20 0 HEADRN COc1cccc([C@@H](NS(=O)(=O)CCS(C)(=O)=O)c2ccccc2Cl)c1 ZINC000742306538 1076813810 /nfs/dbraw/zinc/81/38/10/1076813810.db2.gz RCEPHMXOFUBJCC-QGZVFWFLSA-N 0 0 417.936 2.402 20 0 HEADRN COC(=O)[C@H](CNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)CC(C)C ZINC000742308038 1076813848 /nfs/dbraw/zinc/81/38/48/1076813848.db2.gz BQRZXWIYVYEKIE-NSHDSACASA-N 0 0 410.414 2.301 20 0 HEADRN CCO[C@@H]1C[C@H](NS(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)C12CCC2 ZINC000742307396 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ZINC000742295683 1076820572 /nfs/dbraw/zinc/82/05/72/1076820572.db2.gz NCMNWSSTDYIHKM-OAHLLOKOSA-N 0 0 414.911 2.292 20 0 HEADRN Cc1c(S(=O)(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cnn1-c1ccccn1 ZINC000742297235 1076821304 /nfs/dbraw/zinc/82/13/04/1076821304.db2.gz MDNMJVIZPHYLKY-HNNXBMFYSA-N 0 0 421.523 2.254 20 0 HEADRN COCCN(CCC(=O)OC)S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000742297187 1076821314 /nfs/dbraw/zinc/82/13/14/1076821314.db2.gz QECVFMSTGHGUFJ-UHFFFAOYSA-N 0 0 415.899 2.034 20 0 HEADRN NC(=O)C1(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCCC1 ZINC000742299194 1076822533 /nfs/dbraw/zinc/82/25/33/1076822533.db2.gz KCMKITJPYHNNBW-UHFFFAOYSA-N 0 0 405.451 2.154 20 0 HEADRN CCn1nc(C)c(S(=O)(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1C ZINC000742302106 1076822864 /nfs/dbraw/zinc/82/28/64/1076822864.db2.gz TZDCHUBVDCGOFP-IUODEOHRSA-N 0 0 400.545 2.444 20 0 HEADRN C[C@@H](CCc1cccn1C)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000742321952 1076823449 /nfs/dbraw/zinc/82/34/49/1076823449.db2.gz 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ZINC000768906107 1080835725 /nfs/dbraw/zinc/83/57/25/1080835725.db2.gz VFIPNDFZQZICLB-RUZDIDTESA-N 0 0 420.984 2.354 20 0 HEADRN COc1cccc(CNC(=O)COC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)c1 ZINC000786806564 1080836638 /nfs/dbraw/zinc/83/66/38/1080836638.db2.gz DFSQHGJTRWLOMF-KRWDZBQOSA-N 0 0 417.506 2.219 20 0 HEADRN CC[C@H](C)N(OC)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 ZINC000768895337 1080836755 /nfs/dbraw/zinc/83/67/55/1080836755.db2.gz HAMGFJXRIQZKPT-AWEZNQCLSA-N 0 0 412.508 2.062 20 0 HEADRN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)CCCN2C(=O)CNC2=O)c1 ZINC000768896405 1080836841 /nfs/dbraw/zinc/83/68/41/1080836841.db2.gz IFLILVNVEFHOJE-HXUWFJFHSA-N 0 0 409.486 2.389 20 0 HEADRN CS(=O)(=O)c1ccc(CNC(=O)NC2CCC(O)(c3cccnc3)CC2)s1 ZINC000786811268 1080839024 /nfs/dbraw/zinc/83/90/24/1080839024.db2.gz CBHYZASHNPXGOE-UHFFFAOYSA-N 0 0 409.533 2.176 20 0 HEADRN COC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)OC)c2ccc(C)c(C)c2)ccc1F ZINC000768900163 1080839273 /nfs/dbraw/zinc/83/92/73/1080839273.db2.gz 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O=S(=O)(C1=Cc2ccc(OC(F)F)cc2CC1)N1CCO[C@]2(CCOC2)C1 ZINC000768904108 1080841899 /nfs/dbraw/zinc/84/18/99/1080841899.db2.gz JALITPUDWWRVHB-GOSISDBHSA-N 0 0 401.431 2.396 20 0 HEADRN NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2c(s1)CCC2 ZINC000786816858 1080841990 /nfs/dbraw/zinc/84/19/90/1080841990.db2.gz BWMQYCWNLANTAX-AWEZNQCLSA-N 0 0 402.476 2.131 20 0 HEADRN Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)C(=O)NCc2ccc(C(C)(C)C)cc2)cn1 ZINC000786817069 1080842005 /nfs/dbraw/zinc/84/20/05/1080842005.db2.gz PWNDIHCZEXEIIL-VQTJNVASSA-N 0 0 412.534 2.449 20 0 HEADRN O=C(NCc1ccccc1Br)C(=O)NC[C@@H]1COC2(CCCCC2)O1 ZINC000786817921 1080842950 /nfs/dbraw/zinc/84/29/50/1080842950.db2.gz RUGXMOONGAMGPF-CQSZACIVSA-N 0 0 411.296 2.257 20 0 HEADRN Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)NCc1ccccc1Br ZINC000786818671 1080843539 /nfs/dbraw/zinc/84/35/39/1080843539.db2.gz WDNVCILPLPFXOS-MRXNPFEDSA-N 0 0 403.280 2.358 20 0 HEADRN CN1Cc2cc(OC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2C1=O ZINC000768864533 1080843977 /nfs/dbraw/zinc/84/39/77/1080843977.db2.gz NSXGBMHYUUFBNL-UHFFFAOYSA-N 0 0 400.456 2.276 20 0 HEADRN C[C@@H]1[C@@H](C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)CCN1C(=O)OC(C)(C)C ZINC000786822616 1080845006 /nfs/dbraw/zinc/84/50/06/1080845006.db2.gz ADMYIPFJZZKZSE-UNEWFSDZSA-N 0 0 407.486 2.231 20 0 HEADRN CC(C)Oc1cccc(CNC(=O)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000786824525 1080845781 /nfs/dbraw/zinc/84/57/81/1080845781.db2.gz UCYYLRJKWUHMOH-UHFFFAOYSA-N 0 0 415.534 2.341 20 0 HEADRN CCOC(=O)c1csc(CCNC(=O)N2CCCC[C@@H]2CN2CCCC2=O)n1 ZINC000786844531 1080846365 /nfs/dbraw/zinc/84/63/65/1080846365.db2.gz AQCFDRJHLXMLFS-CQSZACIVSA-N 0 0 408.524 2.049 20 0 HEADRN CC(C)Oc1cccc(CNC(=O)C(=O)N2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000786844038 1080846844 /nfs/dbraw/zinc/84/68/44/1080846844.db2.gz VGAYGTZJBAUJRP-UHFFFAOYSA-N 0 0 411.506 2.034 20 0 HEADRN CN(CCN(C)C(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000768946164 1080847123 /nfs/dbraw/zinc/84/71/23/1080847123.db2.gz YIJQTCVJUVVKRG-HNNXBMFYSA-N 0 0 408.474 2.439 20 0 HEADRN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000768946317 1080847146 /nfs/dbraw/zinc/84/71/46/1080847146.db2.gz MSRQGIUOWMBYRI-WBVHZDCISA-N 0 0 404.511 2.248 20 0 HEADRN Cn1cc(C[C@H](O)C(=O)N2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000786849645 1080849822 /nfs/dbraw/zinc/84/98/22/1080849822.db2.gz GEPWSDNQTJKCBC-KURKYZTESA-N 0 0 406.527 2.104 20 0 HEADRN CCCCS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1 ZINC000768909137 1080849912 /nfs/dbraw/zinc/84/99/12/1080849912.db2.gz SADYJLSAUWAISW-UHFFFAOYSA-N 0 0 403.456 2.374 20 0 HEADRN COc1cc(CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)C2CC2)ccc1O ZINC000768911522 1080850937 /nfs/dbraw/zinc/85/09/37/1080850937.db2.gz QKXTWYFZLKWEAF-SFHVURJKSA-N 0 0 408.458 2.012 20 0 HEADRN COc1ccc(-n2c(COC(=O)[C@@H](O)Cc3cnn(C)c3)nc3ccccc32)cc1 ZINC000786850898 1080851253 /nfs/dbraw/zinc/85/12/53/1080851253.db2.gz BPDCLQNXLOAVJS-FQEVSTJZSA-N 0 0 406.442 2.414 20 0 HEADRN COCCOc1ccc(F)cc1S(=O)(=O)Oc1ccc2c(c1)CCCNC2=O ZINC000786855771 1080854324 /nfs/dbraw/zinc/85/43/24/1080854324.db2.gz CWRAWAMIMNGREZ-UHFFFAOYSA-N 0 0 409.435 2.295 20 0 HEADRN COc1cccc(-c2nc(COC(=O)[C@H](O)Cc3cnn(C)c3)cs2)c1OC ZINC000786857036 1080855084 /nfs/dbraw/zinc/85/50/84/1080855084.db2.gz MABMNNROKKAMSI-OAHLLOKOSA-N 0 0 403.460 2.208 20 0 HEADRN CC(C)Oc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000786858277 1080855178 /nfs/dbraw/zinc/85/51/78/1080855178.db2.gz OWHVPOHJEKHWPX-UHFFFAOYSA-N 0 0 405.495 2.169 20 0 HEADRN CN(C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)[C@@H](CCO)c1ccccc1 ZINC000768916594 1080855210 /nfs/dbraw/zinc/85/52/10/1080855210.db2.gz GMLAWTBYECZBDV-PGRDOPGGSA-N 0 0 413.449 2.175 20 0 HEADRN O=C(OCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(OCC(F)(F)F)cn1 ZINC000768917572 1080855861 /nfs/dbraw/zinc/85/58/61/1080855861.db2.gz LOEMGOBJJVPNSW-UHFFFAOYSA-N 0 0 401.341 2.044 20 0 HEADRN CC(C)Oc1ccccc1CNC(=O)C(=O)N(CCO)Cc1cccnc1Cl ZINC000786859380 1080856165 /nfs/dbraw/zinc/85/61/65/1080856165.db2.gz RLHGQYYOKNAOJL-UHFFFAOYSA-N 0 0 405.882 2.160 20 0 HEADRN CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)COCc3ccccc3)n2)CC1 ZINC000746612190 1080856598 /nfs/dbraw/zinc/85/65/98/1080856598.db2.gz BWROJCDEMXYILN-UHFFFAOYSA-N 0 0 416.482 2.017 20 0 HEADRN CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)CCc3ccsc3)n2)CC1 ZINC000746612416 1080856635 /nfs/dbraw/zinc/85/66/35/1080856635.db2.gz LOXSMOFFDUISGV-UHFFFAOYSA-N 0 0 406.512 2.495 20 0 HEADRN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCc1nnc2ccccn21 ZINC000786859948 1080857119 /nfs/dbraw/zinc/85/71/19/1080857119.db2.gz VEMWDQXKYQZXGI-ZDUSSCGKSA-N 0 0 424.910 2.317 20 0 HEADRN C[C@@H]1CC[C@@H](CCC(=O)Nc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)O1 ZINC000746612067 1080857130 /nfs/dbraw/zinc/85/71/30/1080857130.db2.gz KREZZPORIFRUHZ-KGLIPLIRSA-N 0 0 408.503 2.148 20 0 HEADRN CS(=O)(=O)Nc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)COC4)CC2)cc1 ZINC000768920026 1080858005 /nfs/dbraw/zinc/85/80/05/1080858005.db2.gz FFHLFAYDAVGKOG-UHFFFAOYSA-N 0 0 416.503 2.442 20 0 HEADRN COc1cc(S(=O)(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)ccc1F ZINC000786861865 1080858555 /nfs/dbraw/zinc/85/85/55/1080858555.db2.gz JNFJZDDEHVSTDX-CQSZACIVSA-N 0 0 417.842 2.271 20 0 HEADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(Cc1ccccn1)C1CC1 ZINC000768921197 1080859038 /nfs/dbraw/zinc/85/90/38/1080859038.db2.gz NPTZFRGMSDNAAM-SFHVURJKSA-N 0 0 404.511 2.238 20 0 HEADRN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000768923089 1080859759 /nfs/dbraw/zinc/85/97/59/1080859759.db2.gz NZVCPOUDTHAVAC-SECBINFHSA-N 0 0 404.389 2.255 20 0 HEADRN COc1cccc(CNC(=O)CON=C(N)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000768924697 1080860038 /nfs/dbraw/zinc/86/00/38/1080860038.db2.gz AVOMGAWVRYLYGY-INIZCTEOSA-N 0 0 406.483 2.209 20 0 HEADRN O=C1OC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)CCN12 ZINC000786866296 1080860498 /nfs/dbraw/zinc/86/04/98/1080860498.db2.gz WBWYRNGKTRPVKJ-CQSZACIVSA-N 0 0 400.884 2.344 20 0 HEADRN COCCOc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000786865713 1080860527 /nfs/dbraw/zinc/86/05/27/1080860527.db2.gz LRQOGXKUCQOMAQ-AWEZNQCLSA-N 0 0 403.472 2.015 20 0 HEADRN COCCOc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000786865716 1080860646 /nfs/dbraw/zinc/86/06/46/1080860646.db2.gz LRQOGXKUCQOMAQ-CQSZACIVSA-N 0 0 403.472 2.015 20 0 HEADRN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000768924326 1080860733 /nfs/dbraw/zinc/86/07/33/1080860733.db2.gz SMVYAVZOLSQUNG-QGZVFWFLSA-N 0 0 405.543 2.021 20 0 HEADRN Cc1noc(C)c1CCC(=O)Nc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 ZINC000746612986 1080862732 /nfs/dbraw/zinc/86/27/32/1080862732.db2.gz HLKBRKFNWAKSQG-UHFFFAOYSA-N 0 0 419.486 2.038 20 0 HEADRN COc1ccccc1CNC(=O)CON=C(N)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000768932314 1080863852 /nfs/dbraw/zinc/86/38/52/1080863852.db2.gz RRBXITGDTMPNJA-HNNXBMFYSA-N 0 0 406.483 2.209 20 0 HEADRN CS(=O)(=O)c1ccc(CNC(=O)N2CCCN(c3ncccc3F)CC2)s1 ZINC000786874240 1080864088 /nfs/dbraw/zinc/86/40/88/1080864088.db2.gz PPTSPLSGBBFCFJ-UHFFFAOYSA-N 0 0 412.512 2.108 20 0 HEADRN COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1N1CC[NH+](C)CC1 ZINC000786874386 1080864536 /nfs/dbraw/zinc/86/45/36/1080864536.db2.gz TYTGALOJXYOLGG-UHFFFAOYSA-N 0 0 423.510 2.404 20 0 HEADRN COC(=O)c1ccc(NC(=O)CON=C(N)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000768934663 1080864712 /nfs/dbraw/zinc/86/47/12/1080864712.db2.gz YQFSFSQPWRWGBW-OAHLLOKOSA-N 0 0 420.466 2.310 20 0 HEADRN O=C(NCCOc1ccccc1Cl)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000786875015 1080864851 /nfs/dbraw/zinc/86/48/51/1080864851.db2.gz CZMWZLKUINDMQR-BPLDGKMQSA-N 0 0 400.953 2.331 20 0 HEADRN CC[C@H](O)c1nccn1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000786878490 1080866344 /nfs/dbraw/zinc/86/63/44/1080866344.db2.gz XQPXPWKVGPXGRC-KRWDZBQOSA-N 0 0 420.535 2.448 20 0 HEADRN CC(C)(C)OC(=O)N1CCN(CCNC(=O)NC2(C)Cc3ccccc3C2)CC1 ZINC000768938062 1080866771 /nfs/dbraw/zinc/86/67/71/1080866771.db2.gz YYNPBPPBVKXQQM-UHFFFAOYSA-N 0 0 402.539 2.396 20 0 HEADRN COC(=O)[C@@H](Cc1ccccc1)OC(=O)c1cc(Br)c(C)n(C)c1=O ZINC000768940038 1080867363 /nfs/dbraw/zinc/86/73/63/1080867363.db2.gz CFXKPQXKGGHZJO-OAHLLOKOSA-N 0 0 408.248 2.397 20 0 HEADRN COCCOc1ccc(F)cc1S(=O)(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000786839951 1080867932 /nfs/dbraw/zinc/86/79/32/1080867932.db2.gz BMGLIKSNXSAYHV-UHFFFAOYSA-N 0 0 424.450 2.286 20 0 HEADRN Cc1ccc(OCCN(C)C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)cc1 ZINC000786841234 1080868350 /nfs/dbraw/zinc/86/83/50/1080868350.db2.gz BJYNAWDRDNSHEL-SFHVURJKSA-N 0 0 417.893 2.160 20 0 HEADRN O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)[C@H](F)c1ccccc1 ZINC000768968597 1080868843 /nfs/dbraw/zinc/86/88/43/1080868843.db2.gz WJAZWRYCMXCOHL-LJQANCHMSA-N 0 0 406.479 2.176 20 0 HEADRN Cc1cccc([C@@H](O)CNC(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c1 ZINC000768969625 1080869365 /nfs/dbraw/zinc/86/93/65/1080869365.db2.gz UQXJJVCNULVCLU-SFHVURJKSA-N 0 0 402.882 2.440 20 0 HEADRN CC(C)Oc1cccc(CNC(=O)C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000786843493 1080869445 /nfs/dbraw/zinc/86/94/45/1080869445.db2.gz RLMDRBCZASCKOX-HKUYNNGSSA-N 0 0 416.474 2.034 20 0 HEADRN COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)NCc2cccc(OC(C)C)c2)C1 ZINC000786841710 1080869469 /nfs/dbraw/zinc/86/94/69/1080869469.db2.gz MPFXLZILAXJPAC-NVXWUHKLSA-N 0 0 405.495 2.073 20 0 HEADRN C[C@@H]1CN(C)C(=O)CN1C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000786888895 1080870021 /nfs/dbraw/zinc/87/00/21/1080870021.db2.gz DWEDDISKAUZNNP-YLJYHZDGSA-N 0 0 409.486 2.386 20 0 HEADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(C)c2ccccc21 ZINC000768971896 1080870480 /nfs/dbraw/zinc/87/04/80/1080870480.db2.gz GGBKYRWULIFYEO-SFHVURJKSA-N 0 0 404.511 2.135 20 0 HEADRN Cc1nccn1-c1ncccc1CNC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC000768974657 1080870565 /nfs/dbraw/zinc/87/05/65/1080870565.db2.gz VRUGOFMQBBAOJX-QFIPXVFZSA-N 0 0 424.505 2.083 20 0 HEADRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000768972952 1080870644 /nfs/dbraw/zinc/87/06/44/1080870644.db2.gz 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HEADRN CCN(CC(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O)c1ccccc1 ZINC000746558858 1080211084 /nfs/dbraw/zinc/21/10/84/1080211084.db2.gz LCEGLYQNMRWCRN-MRXNPFEDSA-N 0 0 401.488 2.283 20 0 HEADRN CN(C)c1nnc(-c2ccc(NC(=O)NCC3N=NC(=S)N3C3CC3)cc2)o1 ZINC000767871287 1080211135 /nfs/dbraw/zinc/21/11/35/1080211135.db2.gz DPXOLXCIOLGRSJ-UHFFFAOYSA-N 0 0 400.468 2.339 20 0 HEADRN COc1cccc(C[C@H](O)C(=O)O[C@@H](C)C(=O)c2ccc(CNC(C)=O)s2)c1 ZINC000785705792 1080214523 /nfs/dbraw/zinc/21/45/23/1080214523.db2.gz IAJWLBMTBQHYSZ-SJCJKPOMSA-N 0 0 405.472 2.111 20 0 HEADRN COc1cccc(C[C@H](O)C(=O)O[C@H](C)C(=O)Nc2ccc(OC)cc2OC)c1 ZINC000785705633 1080214793 /nfs/dbraw/zinc/21/47/93/1080214793.db2.gz TZRNRHURJNRHOY-ACJLOTCBSA-N 0 0 403.431 2.186 20 0 HEADRN O=C1NCCN(C(=S)NC[C@@H]2CCCCO2)[C@H]1c1ccccc1Br ZINC000767915735 1080214847 /nfs/dbraw/zinc/21/48/47/1080214847.db2.gz SYAHJOCWLGMTHP-WFASDCNBSA-N 0 0 412.353 2.366 20 0 HEADRN COc1cccc(C[C@H](O)C(=O)O[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)c1 ZINC000785707260 1080215145 /nfs/dbraw/zinc/21/51/45/1080215145.db2.gz VOLWBTORFFJTAP-YJYMSZOUSA-N 0 0 400.431 2.127 20 0 HEADRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CC(C)(C)CC(C)(C)C3)C2=O)cc1 ZINC000767916823 1080215402 /nfs/dbraw/zinc/21/54/02/1080215402.db2.gz MYNMPKCDPCDTMK-QFIPXVFZSA-N 0 0 416.522 2.252 20 0 HEADRN C[C@@](O)(C1CCN(C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1)C(F)(F)F ZINC000767919858 1080216315 /nfs/dbraw/zinc/21/63/15/1080216315.db2.gz VHBOPTFVHXGNAU-IAGOWNOFSA-N 0 0 409.470 2.323 20 0 HEADRN Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000785709397 1080216489 /nfs/dbraw/zinc/21/64/89/1080216489.db2.gz CEPOSWYWLGGTKT-JQHSSLGASA-N 0 0 418.465 2.446 20 0 HEADRN Cn1c2ccc(NC(=O)CO[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2n(C)c1=O ZINC000767921806 1080217205 /nfs/dbraw/zinc/21/72/05/1080217205.db2.gz KRFPYLPDDCZGNV-HNNXBMFYSA-N 0 0 418.494 2.232 20 0 HEADRN Cc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cc1F ZINC000785708921 1080217677 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CCOC(=O)C1=C(CN2CCS[C@@H]3COCC[C@@H]32)NC(=O)N[C@H]1c1ccccc1 ZINC000767911218 1080224518 /nfs/dbraw/zinc/22/45/18/1080224518.db2.gz HVZGFZMMHKXVDL-SCTDSRPQSA-N 0 0 417.531 2.064 20 0 HEADRN C[C@H](OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)C(=O)NCC1CCCCC1 ZINC000785717344 1080225355 /nfs/dbraw/zinc/22/53/55/1080225355.db2.gz GQHSYFAALFYLBM-YTQUADARSA-N 0 0 406.523 2.056 20 0 HEADRN CC(C)[C@@H](OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)C(=O)N1CCC[C@@H](C)C1 ZINC000785716910 1080226197 /nfs/dbraw/zinc/22/61/97/1080226197.db2.gz PQGOZBKTEJLLMS-IYWMVGAKSA-N 0 0 420.550 2.254 20 0 HEADRN C[C@H](OC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)C(=O)c1c[nH]c2ncccc12 ZINC000785716847 1080226299 /nfs/dbraw/zinc/22/62/99/1080226299.db2.gz KRNJNELKVQCQEX-XIRDDKMYSA-N 0 0 411.458 2.119 20 0 HEADRN CN(Cc1nnc2ccccn21)C(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000767928215 1080227390 /nfs/dbraw/zinc/22/73/90/1080227390.db2.gz XQEJRZLDJTYVHZ-HNNXBMFYSA-N 0 0 403.483 2.104 20 0 HEADRN COCCN(CCNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(=O)OC(C)(C)C ZINC000767928495 1080227474 /nfs/dbraw/zinc/22/74/74/1080227474.db2.gz XZXZRYRYMAPHAF-HNNXBMFYSA-N 0 0 409.458 2.251 20 0 HEADRN COCCN(CCNC(=O)c1cccc2c1O[C@H](C)C(=O)N2)C(=O)OC(C)(C)C ZINC000767930478 1080228639 /nfs/dbraw/zinc/22/86/39/1080228639.db2.gz URSZFSXSUFTJOO-CYBMUJFWSA-N 0 0 407.467 2.019 20 0 HEADRN CC(C)N(C(=O)COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)c1ccccc1 ZINC000785718849 1080229573 /nfs/dbraw/zinc/22/95/73/1080229573.db2.gz MHZFAHIJBZQFHT-VQTJNVASSA-N 0 0 414.502 2.412 20 0 HEADRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(Cc2ccccc2)[nH]n1 ZINC000785749509 1080230043 /nfs/dbraw/zinc/23/00/43/1080230043.db2.gz OCBZPNDOSWFDAQ-UHFFFAOYSA-N 0 0 410.499 2.454 20 0 HEADRN CCOc1ccc([C@H](C)NC(=O)C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000785750316 1080230577 /nfs/dbraw/zinc/23/05/77/1080230577.db2.gz PEMVKBQULAGMFR-WDYCEAGBSA-N 0 0 416.474 2.207 20 0 HEADRN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)Cc1ccc(Cl)cn1 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CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000767950159 1080239429 /nfs/dbraw/zinc/23/94/29/1080239429.db2.gz VPXWXQIQUSOXBC-MRXNPFEDSA-N 0 0 406.483 2.475 20 0 HEADRN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)[C@@H]2COc3ccccc32)c1 ZINC000785773553 1080239994 /nfs/dbraw/zinc/23/99/94/1080239994.db2.gz ZVFZZAIMJZVSRN-CYBMUJFWSA-N 0 0 409.847 2.401 20 0 HEADRN CNC(=O)Cn1nc(NC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1C ZINC000767969045 1080241198 /nfs/dbraw/zinc/24/11/98/1080241198.db2.gz IRDBYSLMBPYLHV-HUUCEWRRSA-N 0 0 422.530 2.095 20 0 HEADRN O=C(OCc1nnnn1-c1ccccc1Br)c1ccc2c(c1)NC(=O)C2 ZINC000785778440 1080241881 /nfs/dbraw/zinc/24/18/81/1080241881.db2.gz WLLMBFQSNKVIDN-UHFFFAOYSA-N 0 0 414.219 2.276 20 0 HEADRN CC(C)(C(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)S(=O)(=O)C1CC1 ZINC000785779560 1080242269 /nfs/dbraw/zinc/24/22/69/1080242269.db2.gz XLJFFNWCKFEPCZ-QINSGFPZSA-N 0 0 422.528 2.195 20 0 HEADRN CCc1ccc(N2CCN(C(=O)NC3CCN(C(=O)CCOC)CC3)CC2)cc1 ZINC000767972624 1080242650 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400.500 2.086 20 0 HEADRN C[C@H](OC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)C(=O)NC(=O)NC(C)(C)C ZINC000771427623 1079338243 /nfs/dbraw/zinc/33/82/43/1079338243.db2.gz OYWMYPURNOAKJB-NSHDSACASA-N 0 0 401.419 2.446 20 0 HEADRN C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)Nc2ccc(F)nc2)C1=O ZINC000771427979 1079338279 /nfs/dbraw/zinc/33/82/79/1079338279.db2.gz JHHYAUHMNSGUPU-KRWDZBQOSA-N 0 0 421.226 2.389 20 0 HEADRN CCCn1c(C)nnc1CN1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC001169604605 1079342615 /nfs/dbraw/zinc/34/26/15/1079342615.db2.gz NRVJYCCMDYRYBD-KRWDZBQOSA-N 0 0 422.574 2.382 20 0 HEADRN CC(C)[C@H](OC(=O)c1cc(-c2ccc3c(c2)CCO3)no1)C(=O)N1CCOCC1 ZINC000771431548 1079340162 /nfs/dbraw/zinc/34/01/62/1079340162.db2.gz ZWNRCBJUPKXICI-IBGZPJMESA-N 0 0 400.431 2.317 20 0 HEADRN COc1cc(NC(=O)c2ccco2)c(C(=O)N[C@@H]2CCc3cncn3C2)cc1OC ZINC000804331847 1079340539 /nfs/dbraw/zinc/34/05/39/1079340539.db2.gz DXRDNAZQCZPMAV-CYBMUJFWSA-N 0 0 410.430 2.490 20 0 HEADRN 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Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N2CCO[C@H](c3ncon3)C2)cc1 ZINC000771471555 1079350515 /nfs/dbraw/zinc/35/05/15/1079350515.db2.gz CNQNODXNVNSTKC-KGLIPLIRSA-N 0 0 420.267 2.265 20 0 HEADRN C[C@H](OC(=O)CCc1cccc(C(F)(F)F)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000766770208 1079350551 /nfs/dbraw/zinc/35/05/51/1079350551.db2.gz JHSRIQNMGOVNPP-LBPRGKRZSA-N 0 0 400.397 2.307 20 0 HEADRN CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCO[C@H](c2ncon2)C1)c1ccccc1 ZINC000771473305 1079351928 /nfs/dbraw/zinc/35/19/28/1079351928.db2.gz JQELDDVPJGFFLW-CVEARBPZSA-N 0 0 402.451 2.278 20 0 HEADRN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000771477065 1079353034 /nfs/dbraw/zinc/35/30/34/1079353034.db2.gz BRGZZAUROWWGKE-MRXNPFEDSA-N 0 0 411.524 2.146 20 0 HEADRN CC(=O)N1CCC[C@@H](N2Cc3ncn(C)c3[C@H](COCc3csc(C)n3)C2)C1 ZINC001169616644 1079353505 /nfs/dbraw/zinc/35/35/05/1079353505.db2.gz XJXHPQIVEIGKGE-FUHWJXTLSA-N 0 0 403.552 2.312 20 0 HEADRN CC(=O)N1CCC[C@H](N2Cc3ncn(C)c3[C@@H](COCc3csc(C)n3)C2)C1 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CCOc1ccc(NC(=O)CNC(=O)c2nccn3c(Br)cnc23)cc1 ZINC000769730832 1078519134 /nfs/dbraw/zinc/51/91/34/1078519134.db2.gz VMAGPVXBTWRKRU-UHFFFAOYSA-N 0 0 418.251 2.259 20 0 HEADRN Cc1cc(NC(=O)CN2c3ccccc3OCCC2=O)n(-c2cc(C)nc(C)n2)n1 ZINC000769698394 1078524509 /nfs/dbraw/zinc/52/45/09/1078524509.db2.gz ZVEDMHPBWNEQRC-UHFFFAOYSA-N 0 0 406.446 2.342 20 0 HEADRN COc1cc(/C=C\C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc(OC)c1O ZINC000745510691 1078520250 /nfs/dbraw/zinc/52/02/50/1078520250.db2.gz RSUUZDBQQCGPCX-HJWRWDBZSA-N 0 0 406.435 2.124 20 0 HEADRN COc1cc(/C=C/C(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)cc(OC)c1O ZINC000745512052 1078520286 /nfs/dbraw/zinc/52/02/86/1078520286.db2.gz ZJYRCOPOIBFVJN-CMDGGOBGSA-N 0 0 421.471 2.416 20 0 HEADRN CN(C[C@H]1CCCN(C(=O)CNC(=O)c2cccc(O)c2)C1)C(=O)OC(C)(C)C ZINC000769688802 1078520294 /nfs/dbraw/zinc/52/02/94/1078520294.db2.gz JPDHSEPGGTULJY-OAHLLOKOSA-N 0 0 405.495 2.228 20 0 HEADRN CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccccc2Cn2cncn2)cc1 ZINC000745527782 1078525006 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Cc1ccc(S(=O)(=O)NCCN(C)C(=O)c2c(Cl)nc3ccccn32)cc1 ZINC000742893395 1076892927 /nfs/dbraw/zinc/89/29/27/1076892927.db2.gz QMAUOILPOKFXIN-UHFFFAOYSA-N 0 0 406.895 2.347 20 0 HEADRN O=C(CNC(=O)OCc1ccccc1)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000742895324 1076893489 /nfs/dbraw/zinc/89/34/89/1076893489.db2.gz JMCRHTMXIZDSAU-AABGKKOBSA-N 0 0 407.470 2.186 20 0 HEADRN O=C(Cn1cccc(C(F)(F)F)c1=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000742896357 1076893801 /nfs/dbraw/zinc/89/38/01/1076893801.db2.gz QHXIGYRVLNKHFX-INMHGKMJSA-N 0 0 419.403 2.140 20 0 HEADRN CC(C)(C)OC(=O)Cc1cccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 ZINC000742896601 1076893910 /nfs/dbraw/zinc/89/39/10/1076893910.db2.gz LEIYAYIQTBQLTE-UHFFFAOYSA-N 0 0 417.487 2.007 20 0 HEADRN COC[C@@](C)(NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(F)(F)F ZINC000742900375 1076894728 /nfs/dbraw/zinc/89/47/28/1076894728.db2.gz RCEKHNXBHHHLBW-CYBMUJFWSA-N 0 0 402.822 2.288 20 0 HEADRN CCc1ccc(N2CCN(C(=O)[C@@H](CC)Nc3nnnn3-c3ccccc3)CC2)cc1 ZINC000742903821 1076895566 /nfs/dbraw/zinc/89/55/66/1076895566.db2.gz NMESVOCNMULLIN-OAQYLSRUSA-N 0 0 419.533 2.186 20 0 HEADRN CC(C)[C@@H]1CN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCS1 ZINC000742905389 1076895574 /nfs/dbraw/zinc/89/55/74/1076895574.db2.gz COJLWLHNZYGVNQ-KRWDZBQOSA-N 0 0 421.588 2.448 20 0 HEADRN CCc1ccc(N2CCN(C(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)CC2)cc1 ZINC000742903786 1076895583 /nfs/dbraw/zinc/89/55/83/1076895583.db2.gz LSIGTAIPMYDAQV-UHFFFAOYSA-N 0 0 412.534 2.495 20 0 HEADRN CCc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)NC)cc3)CC2)cc1 ZINC000742905250 1076895704 /nfs/dbraw/zinc/89/57/04/1076895704.db2.gz USJQBYRDMHVMSQ-UHFFFAOYSA-N 0 0 415.559 2.439 20 0 HEADRN CCc1nsc(N2CCN(C(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)CC2)n1 ZINC000742906799 1076896222 /nfs/dbraw/zinc/89/62/22/1076896222.db2.gz MDFKQBUPEHQWAZ-KBPBESRZSA-N 0 0 409.556 2.443 20 0 HEADRN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(c2nc(CC)ns2)CC1 ZINC000742907202 1076896316 /nfs/dbraw/zinc/89/63/16/1076896316.db2.gz WDDCTRYUEXGAGA-YGLIYXGISA-N 0 0 409.581 2.007 20 0 HEADRN C[C@@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1nc(-c2ccc(Cl)cc2)no1 ZINC000742942834 1076896791 /nfs/dbraw/zinc/89/67/91/1076896791.db2.gz VHCWATODOGDBAS-RISCZKNCSA-N 0 0 412.899 2.381 20 0 HEADRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc3cc(F)ccc3n2C)n(C)c1 ZINC000742916026 1076897204 /nfs/dbraw/zinc/89/72/04/1076897204.db2.gz PIHRWSGEIHTPBK-UHFFFAOYSA-N 0 0 407.471 2.334 20 0 HEADRN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1C(=O)OC ZINC000742916017 1076897222 /nfs/dbraw/zinc/89/72/22/1076897222.db2.gz PCSMLMZRHGKPKG-GFCCVEGCSA-N 0 0 414.389 2.391 20 0 HEADRN CCO[C@@H]1C[C@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)C12CCCC2 ZINC000742917645 1076897287 /nfs/dbraw/zinc/89/72/87/1076897287.db2.gz GJLCIPVFTKKTOM-FVJLSDCUSA-N 0 0 417.481 2.447 20 0 HEADRN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3nc(C(C)(C)C)no3)C2=O)cc1 ZINC000742921941 1076898138 /nfs/dbraw/zinc/89/81/38/1076898138.db2.gz ADEDZNUTPABWKV-LRTDBIEQSA-N 0 0 413.478 2.320 20 0 HEADRN COc1cccc(-c2noc([C@@H](C)NC(=O)CNC(=O)OCC(F)(F)F)n2)c1 ZINC000742923031 1076898254 /nfs/dbraw/zinc/89/82/54/1076898254.db2.gz UQIFOQJNYWUNFC-SECBINFHSA-N 0 0 402.329 2.211 20 0 HEADRN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000742929686 1076898623 /nfs/dbraw/zinc/89/86/23/1076898623.db2.gz MGJBXCXCTUXKCY-UHFFFAOYSA-N 0 0 413.425 2.255 20 0 HEADRN C[C@@H]1NC(C(=O)NCCc2nc(C(F)(F)F)cs2)=NN(c2ccccc2)C1=O ZINC000742928986 1076898677 /nfs/dbraw/zinc/89/86/77/1076898677.db2.gz DFIUYAIOJUTNCD-JTQLQIEISA-N 0 0 411.409 2.159 20 0 HEADRN Cc1cccc2oc(CCNC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)nc21 ZINC000742969807 1076898868 /nfs/dbraw/zinc/89/88/68/1076898868.db2.gz CCTYXSDWHQUCJS-MRXNPFEDSA-N 0 0 409.421 2.054 20 0 HEADRN COc1ccc(NC(=O)Cn2cc(C(N)=O)c3ccccc32)cc1N1CCOC1=O ZINC000742950668 1076899607 /nfs/dbraw/zinc/89/96/07/1076899607.db2.gz RQUCTHIFUAYOKN-UHFFFAOYSA-N 0 0 408.414 2.344 20 0 HEADRN COc1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cc1N1CCOC1=O ZINC000742950612 1076899707 /nfs/dbraw/zinc/89/97/07/1076899707.db2.gz KOZYWGVXIIAJAY-UHFFFAOYSA-N 0 0 408.414 2.309 20 0 HEADRN COc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1N1CCOC1=O ZINC000742952116 1076900546 /nfs/dbraw/zinc/90/05/46/1076900546.db2.gz WZZMCSWWRAQIDN-UHFFFAOYSA-N 0 0 405.432 2.276 20 0 HEADRN COc1ccc(NC(=O)CNC(=O)Cc2cccc(F)c2)cc1N1CCOC1=O ZINC000742953545 1076900882 /nfs/dbraw/zinc/90/08/82/1076900882.db2.gz QXWGTKDHRBKOGW-UHFFFAOYSA-N 0 0 401.394 2.088 20 0 HEADRN CN(CCCC(=O)Nc1cnn(CC2CC2)c1)C1=NS(=O)(=O)c2ccccc21 ZINC000742957715 1076904944 /nfs/dbraw/zinc/90/49/44/1076904944.db2.gz VYJKDYWAWVLRMI-UHFFFAOYSA-N 0 0 401.492 2.093 20 0 HEADRN NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)Nc2cnn(CC3CC3)c2)cc1 ZINC000742957872 1076905561 /nfs/dbraw/zinc/90/55/61/1076905561.db2.gz BMIMPXAJMFXRDG-KWEPMOPPSA-N 0 0 407.474 2.035 20 0 HEADRN COC(=O)CCN(C(=O)c1ccc(OCc2noc(C)n2)cc1)C1CCOCC1 ZINC000742960981 1076907953 /nfs/dbraw/zinc/90/79/53/1076907953.db2.gz JYDMBTJVCZCBBW-UHFFFAOYSA-N 0 0 403.435 2.141 20 0 HEADRN COC(=O)CCN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CCOCC1 ZINC000742963772 1076909342 /nfs/dbraw/zinc/90/93/42/1076909342.db2.gz YHLYCYFUNWPAKO-UHFFFAOYSA-N 0 0 423.409 2.164 20 0 HEADRN COC(=O)CCN(C(=O)C[C@H](NC(C)=O)c1c(F)cccc1F)C1CCOCC1 ZINC000742962953 1076909877 /nfs/dbraw/zinc/90/98/77/1076909877.db2.gz NBJRWYAFFXPEOH-KRWDZBQOSA-N 0 0 412.433 2.103 20 0 HEADRN COC(=O)CCN(C(=O)c1ccccc1I)C1CCOCC1 ZINC000742965592 1076912045 /nfs/dbraw/zinc/91/20/45/1076912045.db2.gz NEAYTIJDNDVASM-UHFFFAOYSA-N 0 0 417.243 2.476 20 0 HEADRN CCN(CC)C(=O)CN1CCCN(C(=S)N[C@@H]2CCc3ccccc3C2)CC1 ZINC000742985409 1076913112 /nfs/dbraw/zinc/91/31/12/1076913112.db2.gz NQMQNEAAEMQHCA-HXUWFJFHSA-N 0 0 402.608 2.295 20 0 HEADRN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=S)N[C@@H]2CCc3ccccc3C2)C1 ZINC000742992560 1076915762 /nfs/dbraw/zinc/91/57/62/1076915762.db2.gz KSJWGGSWHONDDN-RBUKOAKNSA-N 0 0 417.575 2.152 20 0 HEADRN C[C@@H](OC(=O)CCCOc1ccc(F)cc1F)C(=O)NC(=O)NCC(F)(F)F ZINC000742974613 1076917963 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2.191 20 0 HEADRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=S)Nc2ccc(C(N)=O)cc2)cc1 ZINC000743011136 1076924975 /nfs/dbraw/zinc/92/49/75/1076924975.db2.gz MQMMHWQOVOXNAJ-GFCCVEGCSA-N 0 0 414.487 2.276 20 0 HEADRN CC(C)Oc1ccc(NC(=S)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 ZINC000743014444 1076926233 /nfs/dbraw/zinc/92/62/33/1076926233.db2.gz GSWRXCSCFPICEL-UHFFFAOYSA-N 0 0 424.548 2.306 20 0 HEADRN O=C1NCCN(C(=S)NCCc2ccc3c(c2)OCCO3)[C@H]1c1cccs1 ZINC000743017558 1076927975 /nfs/dbraw/zinc/92/79/75/1076927975.db2.gz HQPFTTRMTYRLES-KRWDZBQOSA-N 0 0 403.529 2.109 20 0 HEADRN O=C(CN(C[C@@H]1CCCO1)C(=S)N[C@H]1CCOc2ccccc21)N1CCCC1 ZINC000743025825 1076929932 /nfs/dbraw/zinc/92/99/32/1076929932.db2.gz HAVDTTZQZHDKFJ-WMZOPIPTSA-N 0 0 403.548 2.488 20 0 HEADRN O=S(=O)(Cc1nnc(-c2cccc(F)c2)o1)Cc1nnnn1Cc1ccccc1 ZINC000743037475 1076931946 /nfs/dbraw/zinc/93/19/46/1076931946.db2.gz SGDMMCYNDWMHTJ-UHFFFAOYSA-N 0 0 414.422 2.026 20 0 HEADRN NS(=O)(=O)c1ccc(C(=O)COC(=O)c2cc(Br)cs2)cc1 ZINC000743038890 1076932066 /nfs/dbraw/zinc/93/20/66/1076932066.db2.gz DJPZROLNPRDDEU-UHFFFAOYSA-N 0 0 404.263 2.198 20 0 HEADRN CS(=O)(=O)c1ccc(OCCS(=O)(=O)Cc2ccn(-c3ccccc3)n2)cc1 ZINC000743042831 1076934061 /nfs/dbraw/zinc/93/40/61/1076934061.db2.gz MBFGUIIXMBXTOT-UHFFFAOYSA-N 0 0 420.512 2.270 20 0 HEADRN O=C(CNC(=O)OCc1ccccc1)OCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000743041934 1076934596 /nfs/dbraw/zinc/93/45/96/1076934596.db2.gz HEJSEEKCFRXLGM-AWEZNQCLSA-N 0 0 402.369 2.257 20 0 HEADRN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 ZINC000743047681 1076936905 /nfs/dbraw/zinc/93/69/05/1076936905.db2.gz MCXBRPDVQWANHJ-UHFFFAOYSA-N 0 0 401.488 2.262 20 0 HEADRN CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000743050307 1076939152 /nfs/dbraw/zinc/93/91/52/1076939152.db2.gz IPXDBYQOMGAKEI-HNNXBMFYSA-N 0 0 420.535 2.180 20 0 HEADRN C[C@H](OC(=O)CNC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000743049116 1076939188 /nfs/dbraw/zinc/93/91/88/1076939188.db2.gz DZSABVXJCXGYRS-ZDUSSCGKSA-N 0 0 400.387 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400.878 2.138 20 0 HEADRN Cc1cccc(-n2ccnc2SCC(=O)N2CCCC[C@@H]2CS(N)(=O)=O)c1C ZINC000769580948 1081134905 /nfs/dbraw/zinc/13/49/05/1081134905.db2.gz JDPNTTPJRWDNJW-MRXNPFEDSA-N 0 0 422.576 2.251 20 0 HEADRN NS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000769591402 1081140801 /nfs/dbraw/zinc/14/08/01/1081140801.db2.gz XVENODNMNCENTP-AWEZNQCLSA-N 0 0 416.425 2.174 20 0 HEADRN O=C(N[C@H]1CCOC2(CCOCC2)C1)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000769596940 1081142685 /nfs/dbraw/zinc/14/26/85/1081142685.db2.gz LEKTZPRMVZYUKD-HNNXBMFYSA-N 0 0 403.447 2.282 20 0 HEADRN COC(=O)c1ccc(S(=O)(=O)Oc2ccc(C3=CCN(C(C)=O)CC3)cc2)cn1 ZINC000769629244 1081146284 /nfs/dbraw/zinc/14/62/84/1081146284.db2.gz USRNQQLUEVVDDV-UHFFFAOYSA-N 0 0 416.455 2.272 20 0 HEADRN CCC1(CC)CN(C(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC[S@@]1=O ZINC000769631644 1081149623 /nfs/dbraw/zinc/14/96/23/1081149623.db2.gz VCELHGWIHSLNSH-OFMVJSOZSA-N 0 0 405.499 2.268 20 0 HEADRN CCC1(CC)CN(C(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)CC[S@]1=O 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COc1ccc2nc(C(F)(F)N3CCC4(CC3)COCC(=O)N4)nc(Cl)c2c1 ZINC001164424050 718935929 /nfs/dbraw/zinc/93/59/29/718935929.db2.gz NNKREJGYODUBMD-UHFFFAOYSA-N 0 0 412.824 2.322 20 0 HEADRN COCCN1CCN(C)C2(CCN(C(F)(F)c3ccnc(Cl)c3)CC2)C1=O ZINC001164641813 719267516 /nfs/dbraw/zinc/26/75/16/719267516.db2.gz WUWVAURAXSVFHP-UHFFFAOYSA-N 0 0 402.873 2.039 20 0 HEADRN COCCN1CCN(C)C2(CCN(c3nccnc3Oc3ccccc3)CC2)C1=O ZINC001164644936 719283054 /nfs/dbraw/zinc/28/30/54/719283054.db2.gz XFNCPSYITAGVKA-UHFFFAOYSA-N 0 0 411.506 2.028 20 0 HEADRN COCCN1CCN(C)C2(CCN(c3ncnc4ccc(SC)cc43)CC2)C1=O ZINC001164644461 719283806 /nfs/dbraw/zinc/28/38/06/719283806.db2.gz KLXDVDRPCFHQJA-UHFFFAOYSA-N 0 0 415.563 2.111 20 0 HEADRN COc1cc(C(F)(F)N2C[C@@H](N3CCCC3=O)[C@@H]3OCCC[C@H]3C2)nc(Cl)n1 ZINC001164648930 719305652 /nfs/dbraw/zinc/30/56/52/719305652.db2.gz SHZLEKOBJZALJK-HWWQOWPSSA-N 0 0 416.856 2.290 20 0 HEADRN CON(C)C(=O)c1cc(C)cnc1N1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001164653583 719314121 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FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1C[C@@H]2OCCN(c3ncccn3)[C@H]2C1 ZINC001164691458 719800919 /nfs/dbraw/zinc/80/09/19/719800919.db2.gz HFKCBLRGEKOWOZ-RYUDHWBXSA-N 0 0 407.812 2.040 20 0 HEADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc(Cl)nc(SC)n1 ZINC001164699904 719839471 /nfs/dbraw/zinc/83/94/71/719839471.db2.gz ISRUPFMREYVGNA-SJCJKPOMSA-N 0 0 400.932 2.085 20 0 HEADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1cc(C(=O)OC(C)(C)C)ccn1 ZINC001164699893 719843822 /nfs/dbraw/zinc/84/38/22/719843822.db2.gz ISMFZBGUQJSESS-VGSWGCGISA-N 0 0 419.522 2.270 20 0 HEADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(F)(F)Oc1cccc(Cl)n1 ZINC001164696617 719848005 /nfs/dbraw/zinc/84/80/05/719848005.db2.gz ALHZUPRMZGSPEE-DYVFJYSZSA-N 0 0 419.856 2.392 20 0 HEADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)nc2c1CSC2 ZINC001164697200 719848201 /nfs/dbraw/zinc/84/82/01/719848201.db2.gz BPYBXNFMGAAPJF-KPZWWZAWSA-N 0 0 412.943 2.110 20 0 HEADRN CCc1cc2c(ncnc2N2CC[C@H](N3CCOCC3)C[C@]2(C)C(=O)OC)s1 ZINC001164698478 719853117 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421.954 2.423 20 0 HEADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ncc(F)c3ccccc31)CC2 ZINC001164709258 719910669 /nfs/dbraw/zinc/91/06/69/719910669.db2.gz RVJPTVJHQQDNOC-UHFFFAOYSA-N 0 0 408.481 2.058 20 0 HEADRN O=C([C@@H]1COC[C@H]2CN(C(F)(F)Oc3cccc(Cl)n3)C[C@H]21)N1CCCCO1 ZINC001164707892 719913913 /nfs/dbraw/zinc/91/39/13/719913913.db2.gz YFZPFCQOCHYWQV-MGPQQGTHSA-N 0 0 417.840 2.413 20 0 HEADRN Nc1cc(Cl)ncc1C(F)(F)N1C[C@@H]2COC[C@@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001164707347 719916406 /nfs/dbraw/zinc/91/64/06/719916406.db2.gz QBEJAMGZXRLYNV-JHJVBQTASA-N 0 0 416.856 2.115 20 0 HEADRN Cc1noc([C@]23COC[C@@H]2CN(c2ncnc4c2CCN(Cc2ccccc2)C4)C3)n1 ZINC001164809256 720056901 /nfs/dbraw/zinc/05/69/01/720056901.db2.gz ZQCNEMJCZUKHLF-FDDCHVKYSA-N 0 0 418.501 2.131 20 0 HEADRN Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2c3c(nnc2Cl)CCC3)cn1 ZINC001164712379 720074821 /nfs/dbraw/zinc/07/48/21/720074821.db2.gz PDJVXFUODPJOMQ-ZIAGYGMSSA-N 0 0 408.840 2.281 20 0 HEADRN 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CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NCc1cccnc1N1CCOCC1 ZINC000739502586 1076061263 /nfs/dbraw/zinc/06/12/63/1076061263.db2.gz JQAAGJCPPWRQJX-IAGOWNOFSA-N 0 0 404.511 2.228 20 0 HEADRN COCCOc1ccc(-n2nc(C)c(C(=O)N3CCOC[C@@H]3C(F)(F)F)n2)cc1 ZINC000739589556 1076064656 /nfs/dbraw/zinc/06/46/56/1076064656.db2.gz BGICEGBUOPHKFW-OAHLLOKOSA-N 0 0 414.384 2.004 20 0 HEADRN O=C(CN1c2ccccc2OCCC1=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000739607460 1076065658 /nfs/dbraw/zinc/06/56/58/1076065658.db2.gz KERMHMLAIAVBFC-MRXNPFEDSA-N 0 0 413.861 2.377 20 0 HEADRN CCCS(=O)(=O)NC1CCN(C(=O)[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000739511455 1076065744 /nfs/dbraw/zinc/06/57/44/1076065744.db2.gz IDUDFZRMCUAXEC-HZPDHXFCSA-N 0 0 417.572 2.000 20 0 HEADRN COc1ccc(C(=O)NCCNC(=O)[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC000739523647 1076066306 /nfs/dbraw/zinc/06/63/06/1076066306.db2.gz PXXLSEQUAWSDIA-IRXDYDNUSA-N 0 0 405.495 2.235 20 0 HEADRN COCCN1C(=O)c2ccc(C(=O)N3CC4(CC4)c4ccccc43)cc2S1(=O)=O ZINC000739609049 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0 0 420.365 2.408 20 0 HEADRN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2cccc(OCCOC)c2)C1=O ZINC000772371456 1079851305 /nfs/dbraw/zinc/85/13/05/1079851305.db2.gz WKAOFVMFBDJZMI-QFIPXVFZSA-N 0 0 411.458 2.143 20 0 HEADRN COc1ccccc1[C@H](C)NC(=O)COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000767445246 1079851873 /nfs/dbraw/zinc/85/18/73/1079851873.db2.gz FPXYNARRBHQVHW-WMLDXEAASA-N 0 0 422.478 2.052 20 0 HEADRN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000767444929 1079852243 /nfs/dbraw/zinc/85/22/43/1079852243.db2.gz HKNFSBTZTOHSBH-QGZVFWFLSA-N 0 0 404.463 2.293 20 0 HEADRN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)OCC(=O)Nc2c(F)cccc2F)C1 ZINC000767445406 1079853368 /nfs/dbraw/zinc/85/33/68/1079853368.db2.gz UBKOXYVEXGGTNU-ZDUSSCGKSA-N 0 0 400.378 2.082 20 0 HEADRN O=C(COc1ccc(O)cc1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000772376282 1079853480 /nfs/dbraw/zinc/85/34/80/1079853480.db2.gz FXOQIFOMTBIWJB-UHFFFAOYSA-N 0 0 417.421 2.298 20 0 HEADRN COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F ZINC000772377251 1079853895 /nfs/dbraw/zinc/85/38/95/1079853895.db2.gz FLHWJOBOUUVMDZ-HNAYVOBHSA-N 0 0 414.499 2.364 20 0 HEADRN COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F ZINC000772377250 1079853936 /nfs/dbraw/zinc/85/39/36/1079853936.db2.gz FLHWJOBOUUVMDZ-DNVCBOLYSA-N 0 0 414.499 2.364 20 0 HEADRN C[C@@H](OC(=O)CCCNC(=O)c1cccnc1)C(=O)NCc1ccc(Cl)cc1 ZINC000772377208 1079853947 /nfs/dbraw/zinc/85/39/47/1079853947.db2.gz VDSVOQVBAQPQBD-CQSZACIVSA-N 0 0 403.866 2.493 20 0 HEADRN COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1 ZINC000772378351 1079854521 /nfs/dbraw/zinc/85/45/21/1079854521.db2.gz LHMYGBBUXLVKFB-LIRRHRJNSA-N 0 0 414.499 2.364 20 0 HEADRN Cc1ccc(-c2nc(SCC(=O)O[C@@H](C)C(=O)NCC(F)(F)F)n[nH]2)cc1 ZINC000767417296 1079854959 /nfs/dbraw/zinc/85/49/59/1079854959.db2.gz CHFJFKWIEVGXIZ-JTQLQIEISA-N 0 0 402.398 2.482 20 0 HEADRN CCOC(=O)C1=C(COC(=O)C=Cc2cncc(C)c2)NC(=O)N[C@H]1c1ccco1 ZINC000772380971 1079855097 /nfs/dbraw/zinc/85/50/97/1079855097.db2.gz XCIFGKHHGSGWJW-GHOSXJJBSA-N 0 0 411.414 2.411 20 0 HEADRN CCOC(=O)C1=C(COC(=O)C=Cc2cncc(C)c2)NC(=O)N[C@H]1c1ccco1 ZINC000772380975 1079855141 /nfs/dbraw/zinc/85/51/41/1079855141.db2.gz XCIFGKHHGSGWJW-RURPWVQCSA-N 0 0 411.414 2.411 20 0 HEADRN Cc1ccc(-c2nc(SCC(=O)O[C@H](C)C(=O)NC(=O)NC(C)C)n[nH]2)cc1 ZINC000767419575 1079856067 /nfs/dbraw/zinc/85/60/67/1079856067.db2.gz OCFLHELAOXLBGJ-GFCCVEGCSA-N 0 0 405.480 2.038 20 0 HEADRN CCc1nc(C(=O)OCC(=O)N(c2ccc(C)c(C)c2)[C@H]2C=CS(=O)(=O)C2)co1 ZINC000772386598 1079857134 /nfs/dbraw/zinc/85/71/34/1079857134.db2.gz JIFDQFLWSLXURR-INIZCTEOSA-N 0 0 418.471 2.355 20 0 HEADRN Cc1cncc(/C=C/C(=O)OCC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000772385625 1079857172 /nfs/dbraw/zinc/85/71/72/1079857172.db2.gz SLVWIFFRWHZQER-FUTAKVPZSA-N 0 0 413.518 2.444 20 0 HEADRN Cc1ccccc1C1(CNC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000804353962 1079857554 /nfs/dbraw/zinc/85/75/54/1079857554.db2.gz QRPRGJGUHXTUBF-UHFFFAOYSA-N 0 0 401.507 2.222 20 0 HEADRN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)CNC(=O)OCc1ccccc1 ZINC000767429153 1079858970 /nfs/dbraw/zinc/85/89/70/1079858970.db2.gz LKRSJKISLBFMGK-UHFFFAOYSA-N 0 0 411.458 2.332 20 0 HEADRN COc1ccc(CN2CCCN(C(=S)Nc3ccc(C(N)=O)cc3)CC2=O)cc1 ZINC000767430815 1079859421 /nfs/dbraw/zinc/85/94/21/1079859421.db2.gz UUBHLCSZQCPDAG-UHFFFAOYSA-N 0 0 412.515 2.225 20 0 HEADRN COCCOc1cccc(CC(=O)OCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000772393894 1079860066 /nfs/dbraw/zinc/86/00/66/1079860066.db2.gz WIDSFNQXKXBUEX-CRAIPNDOSA-N 0 0 406.479 2.202 20 0 HEADRN O=C(CN1CCN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC1)N1CCCCC1 ZINC000772455597 1079861018 /nfs/dbraw/zinc/86/10/18/1079861018.db2.gz YRVMPPFRZROLIF-UHFFFAOYSA-N 0 0 421.541 2.079 20 0 HEADRN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2C(N)=O)cc1Br ZINC000780664962 1079862180 /nfs/dbraw/zinc/86/21/80/1079862180.db2.gz GTAWNBZJKWTDHU-UHFFFAOYSA-N 0 0 413.249 2.274 20 0 HEADRN COCCOc1cccc(CC(=O)Nc2nc(CC3N=NC(=S)N3C)cs2)c1 ZINC000772412643 1079862776 /nfs/dbraw/zinc/86/27/76/1079862776.db2.gz OWQRHFKRRGHLPA-UHFFFAOYSA-N 0 0 419.532 2.358 20 0 HEADRN COCc1ccc([C@@H]2CCCN2C(=S)NCc2ccc(S(N)(=O)=O)cc2)o1 ZINC000767434612 1079862844 /nfs/dbraw/zinc/86/28/44/1079862844.db2.gz PSVLEJWMBYZJKW-INIZCTEOSA-N 0 0 409.533 2.285 20 0 HEADRN COc1ccc(C(=O)COC(=O)[C@H]2CCCCS2(=O)=O)cc1Br ZINC000772413744 1079863202 /nfs/dbraw/zinc/86/32/02/1079863202.db2.gz VVPGDGBGZUYPMV-CQSZACIVSA-N 0 0 405.266 2.151 20 0 HEADRN O=C(CSc1nc2ccccc2nc1N1CCCC1)OCCN1CCOCC1 ZINC000767436482 1079863331 /nfs/dbraw/zinc/86/33/31/1079863331.db2.gz NPYHAHCQVRCHKT-UHFFFAOYSA-N 0 0 402.520 2.198 20 0 HEADRN O=C(O[C@H]1CCN(CC(F)(F)F)C1=O)C1(OCc2ccccc2)CCOCC1 ZINC000772414236 1079864244 /nfs/dbraw/zinc/86/42/44/1079864244.db2.gz PULHDKVZKLMOQR-HNNXBMFYSA-N 0 0 401.381 2.459 20 0 HEADRN CCOC(=O)Nc1ccc2c(COC(=O)[C@H]3CCCCS3(=O)=O)cc(=O)oc2c1 ZINC000772416643 1079865434 /nfs/dbraw/zinc/86/54/34/1079865434.db2.gz PYZPAPBZUKRNEG-MRXNPFEDSA-N 0 0 423.443 2.372 20 0 HEADRN Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C(C)C)C2)c1 ZINC000767461743 1079865674 /nfs/dbraw/zinc/86/56/74/1079865674.db2.gz UEKCUKMJVOOBCI-CYBMUJFWSA-N 0 0 423.564 2.123 20 0 HEADRN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000767461358 1079865679 /nfs/dbraw/zinc/86/56/79/1079865679.db2.gz IWZQJPXEOYRDDE-MRXNPFEDSA-N 0 0 417.510 2.365 20 0 HEADRN CC(C)n1nccc1C(=O)OCC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000767462678 1079865714 /nfs/dbraw/zinc/86/57/14/1079865714.db2.gz OVAINAYEPYMLID-MRXNPFEDSA-N 0 0 404.511 2.118 20 0 HEADRN O=C(COC(=O)[C@H]1CCCCS1(=O)=O)N[C@H](c1cccs1)c1ccccc1 ZINC000772418365 1079866382 /nfs/dbraw/zinc/86/63/82/1079866382.db2.gz VNSIXOPYVXJWEO-AEFFLSMTSA-N 0 0 407.513 2.464 20 0 HEADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)OCCN1CCSCC1 ZINC000767464854 1079866876 /nfs/dbraw/zinc/86/68/76/1079866876.db2.gz ZUBHLQKSXRZEPQ-UHFFFAOYSA-N 0 0 422.366 2.367 20 0 HEADRN CC(=O)c1ccc(N2CCN(C(=O)COC(=O)c3ccnn3C(C)C)CC2)c(F)c1 ZINC000767466007 1079867318 /nfs/dbraw/zinc/86/73/18/1079867318.db2.gz MXMSUDLSKOSZGH-UHFFFAOYSA-N 0 0 416.453 2.311 20 0 HEADRN CCCNC(=O)NC(=O)COC(=O)c1cc(I)cc(C)c1C ZINC000767465763 1079867376 /nfs/dbraw/zinc/86/73/76/1079867376.db2.gz MMWMUBOPXOYWPJ-UHFFFAOYSA-N 0 0 418.231 2.301 20 0 HEADRN COCCOc1cc(COC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)ccn1 ZINC000772421598 1079867389 /nfs/dbraw/zinc/86/73/89/1079867389.db2.gz APAFGAMXVNKWOK-AWEZNQCLSA-N 0 0 406.385 2.481 20 0 HEADRN COC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)[C@H]1CCCCS1(=O)=O ZINC000772422552 1079868460 /nfs/dbraw/zinc/86/84/60/1079868460.db2.gz GYJGKWFKCKGBCZ-UONOGXRCSA-N 0 0 408.394 2.300 20 0 HEADRN COC(=O)C1=C(COC(=O)c2ccnn2C(C)C)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000767466757 1079868521 /nfs/dbraw/zinc/86/85/21/1079868521.db2.gz YJCXBCQLRNHFRU-GOSISDBHSA-N 0 0 412.446 2.444 20 0 HEADRN Cc1cc(I)cc(C(=O)O[C@@H](C)C(=O)N2CCOCC2)c1C ZINC000767466524 1079868524 /nfs/dbraw/zinc/86/85/24/1079868524.db2.gz RDHWZIWFMCRPNW-LBPRGKRZSA-N 0 0 417.243 2.312 20 0 HEADRN C[C@H](OC(=O)c1ccnc(S(N)(=O)=O)c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000772425554 1079870234 /nfs/dbraw/zinc/87/02/34/1079870234.db2.gz GNQOUZNNYSMLIW-QMMMGPOBSA-N 0 0 418.258 2.220 20 0 HEADRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1cnc(N(C)C)n1C ZINC000767469647 1079870591 /nfs/dbraw/zinc/87/05/91/1079870591.db2.gz MYECWICMSSWAHH-SFHVURJKSA-N 0 0 401.511 2.443 20 0 HEADRN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)OCCN1CCCCC1=O ZINC000767448065 1079874539 /nfs/dbraw/zinc/87/45/39/1079874539.db2.gz AWDRLXSYZQCOOW-UHFFFAOYSA-N 0 0 418.309 2.330 20 0 HEADRN Cn1cc(NC(=O)N2CCCC[C@H]2CN2CCCC2=O)cc(Br)c1=O ZINC000772436839 1079876551 /nfs/dbraw/zinc/87/65/51/1079876551.db2.gz SPKFLNXDZFVKNS-ZDUSSCGKSA-N 0 0 411.300 2.157 20 0 HEADRN Cc1cccn2cc(CCNC(=O)c3ccc(F)c(S(=O)(=O)NC(C)C)c3)nc12 ZINC000746539631 1079878050 /nfs/dbraw/zinc/87/80/50/1079878050.db2.gz ASGWNJFZMRLYRP-UHFFFAOYSA-N 0 0 418.494 2.441 20 0 HEADRN CCN1C(=O)c2ccc(C(=O)N[C@@H](c3ccccc3)[C@@H]3CCOC3)cc2S1(=O)=O ZINC000772438480 1079878097 /nfs/dbraw/zinc/87/80/97/1079878097.db2.gz BENNOMGIAIIFLQ-APWZRJJASA-N 0 0 414.483 2.359 20 0 HEADRN Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)c1 ZINC000767451743 1079878595 /nfs/dbraw/zinc/87/85/95/1079878595.db2.gz ZQFMJHAXFDUCKD-IBGZPJMESA-N 0 0 411.524 2.066 20 0 HEADRN CNC(=O)c1cncc(/C=C\C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)c1 ZINC000746540383 1079878769 /nfs/dbraw/zinc/87/87/69/1079878769.db2.gz SKXYAPJLONNFJV-JPMGXVIASA-N 0 0 406.486 2.266 20 0 HEADRN O=C(Cn1cc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cn1)NC1CCCC1 ZINC000772439609 1079879291 /nfs/dbraw/zinc/87/92/91/1079879291.db2.gz LSUGTOKMZYQLME-QGZVFWFLSA-N 0 0 424.423 2.424 20 0 HEADRN C[C@H](OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)NCCc1ccc(F)cc1 ZINC000767452572 1079880040 /nfs/dbraw/zinc/88/00/40/1079880040.db2.gz QXWDCGCWJQTTSF-WMLDXEAASA-N 0 0 424.469 2.052 20 0 HEADRN NC(=O)c1cc(OC2CCN(C(=O)NCc3ccn(-c4ccccc4)n3)CC2)ccn1 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/nfs/dbraw/zinc/15/38/26/1081153826.db2.gz RTHYLFPJSCTBEF-UHFFFAOYSA-N 0 0 411.455 2.256 20 0 HEADRN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2Cc1nc(CS(C)(=O)=O)no1 ZINC000769636453 1081154983 /nfs/dbraw/zinc/15/49/83/1081154983.db2.gz ZEMXSUUMKSDFPI-AGUYFDCRSA-N 0 0 414.528 2.024 20 0 HEADRN CCCCCCn1cc(S(=O)(=O)N[C@H](C)COc2ccccc2)c(=O)[nH]c1=O ZINC000769637314 1081155071 /nfs/dbraw/zinc/15/50/71/1081155071.db2.gz FJLGABIWMIPSKA-OAHLLOKOSA-N 0 0 409.508 2.275 20 0 HEADRN Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[C@H](C)CNC(=O)OC(C)(C)C ZINC000769641143 1081160728 /nfs/dbraw/zinc/16/07/28/1081160728.db2.gz NMRYRDZVRKDWIV-YUSFRKCESA-N 0 0 404.446 2.148 20 0 HEADRN O=C(COC(=O)c1coc(C2CCC2)n1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000769640959 1081160750 /nfs/dbraw/zinc/16/07/50/1081160750.db2.gz DUANKXZBRWDYEQ-MRXNPFEDSA-N 0 0 416.455 2.443 20 0 HEADRN O=C(COC(=O)c1coc(C2CCC2)n1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000769641206 1081160835 /nfs/dbraw/zinc/16/08/35/1081160835.db2.gz ZDRNBQZIUZSPKC-UHFFFAOYSA-N 0 0 402.798 2.367 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2CCOC3(CCOCC3)CC2)C1 ZINC000769643060 1081161946 /nfs/dbraw/zinc/16/19/46/1081161946.db2.gz JZGJSPUUVWJQSM-QGZVFWFLSA-N 0 0 412.527 2.201 20 0 HEADRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)N[C@H](C)CNC(=O)OC(C)(C)C)C2=O)c1 ZINC000769642840 1081162010 /nfs/dbraw/zinc/16/20/10/1081162010.db2.gz GMJFGIKPKMUWBA-GDBMZVCRSA-N 0 0 418.494 2.229 20 0 HEADRN COC(=O)[C@H](O)C1CCN(C(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000769600981 1081163802 /nfs/dbraw/zinc/16/38/02/1081163802.db2.gz AWNSDBQXNNEFTQ-GOSISDBHSA-N 0 0 418.490 2.323 20 0 HEADRN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)O[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000769602995 1081165309 /nfs/dbraw/zinc/16/53/09/1081165309.db2.gz KPTXBBGGTUBLLH-CRAIPNDOSA-N 0 0 420.506 2.433 20 0 HEADRN COc1ccc(CNC(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)cc1O ZINC000769603178 1081165311 /nfs/dbraw/zinc/16/53/11/1081165311.db2.gz BNWCKPWEMGKKCU-UHFFFAOYSA-N 0 0 408.401 2.276 20 0 HEADRN CCc1ccc([C@@]2(CC)NC(=O)N(CC(=O)N[C@H](CC(C)C)C(=O)OC)C2=O)cc1 ZINC000769605383 1081166564 /nfs/dbraw/zinc/16/65/64/1081166564.db2.gz RMNZVWGBZHEGCP-VGOFRKELSA-N 0 0 417.506 2.110 20 0 HEADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)OCC(=O)N1c2ccccc2C[C@@H]1C ZINC000769608926 1081168914 /nfs/dbraw/zinc/16/89/14/1081168914.db2.gz XSFFVXLOSPGXGH-HOCLYGCPSA-N 0 0 406.479 2.437 20 0 HEADRN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000769608478 1081169474 /nfs/dbraw/zinc/16/94/74/1081169474.db2.gz WDQVPRWOZKZCIQ-HIFRSBDPSA-N 0 0 424.366 2.160 20 0 HEADRN CNC(=O)c1cncc(/C=C/C(=O)NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000769614328 1081171840 /nfs/dbraw/zinc/17/18/40/1081171840.db2.gz LGKDHJGGSYSEPE-RRGWEWPQSA-N 0 0 421.419 2.441 20 0 HEADRN O=C(CSc1cccc[n+]1[O-])NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000769616346 1081173300 /nfs/dbraw/zinc/17/33/00/1081173300.db2.gz RRNKJMQYKPBUAV-CYBMUJFWSA-N 0 0 400.422 2.398 20 0 HEADRN Cc1cc(S(N)(=O)=O)cc(NC(=O)c2nccn3c(Br)cnc23)c1C 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QMWXTWQQWDFULC-VPZZIHKRSA-N 0 0 409.893 2.465 20 0 HEADRN O=C1COCC2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)CC2)N1 ZINC001164423710 718935998 /nfs/dbraw/zinc/93/59/98/718935998.db2.gz JUTUJBFXVJCTHO-UHFFFAOYSA-N 0 0 409.824 2.222 20 0 HEADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)C2 ZINC001164431655 718978832 /nfs/dbraw/zinc/97/88/32/718978832.db2.gz AHOOAUUSEZRQPW-BJOHPYRUSA-N 0 0 401.801 2.051 20 0 HEADRN COCCN1CCN(C)C2(CCN(c3nc(Cl)nc4c(C)cccc43)CC2)C1=O ZINC001164636669 719272035 /nfs/dbraw/zinc/27/20/35/719272035.db2.gz VWXNBVOFBNJMPB-UHFFFAOYSA-N 0 0 417.941 2.351 20 0 HEADRN COCCN1CCN(C)C2(CCN(c3cc(Cl)nc4ncccc34)CC2)C1=O ZINC001164632923 719273353 /nfs/dbraw/zinc/27/33/53/719273353.db2.gz DLAGHVSROSXHFJ-UHFFFAOYSA-N 0 0 403.914 2.043 20 0 HEADRN COCCN1CCN(C)C2(CCN(c3c(C)c(Cl)cnc3Cl)CC2)C1=O ZINC001164639188 719278941 /nfs/dbraw/zinc/27/89/41/719278941.db2.gz JUHAPFMPTPTGIM-UHFFFAOYSA-N 0 0 401.338 2.456 20 0 HEADRN COCCN1CCN(C)C2(CCN(c3nc(C)nc4scc(C)c43)CC2)C1=O ZINC001164644079 719282596 /nfs/dbraw/zinc/28/25/96/719282596.db2.gz BRMGQAHNLGMEET-UHFFFAOYSA-N 0 0 403.552 2.068 20 0 HEADRN Nc1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CCCO[C@H]2[C@@H](N2CCCC2=O)C1 ZINC001164649866 719303925 /nfs/dbraw/zinc/30/39/25/719303925.db2.gz HVQYBANIMWFADA-PZSREKOKSA-N 0 0 400.857 2.468 20 0 HEADRN COc1nc(Cl)ncc1C(F)(F)N1C[C@@H]2CCCO[C@@H]2[C@@H](N2CCCC2=O)C1 ZINC001164656936 719304714 /nfs/dbraw/zinc/30/47/14/719304714.db2.gz ZMVNQWYMODTUTR-WHOFXGATSA-N 0 0 416.856 2.290 20 0 HEADRN CCNC(=O)c1ccc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nn1 ZINC001164677092 719524985 /nfs/dbraw/zinc/52/49/85/719524985.db2.gz BQPOIBPVBNSOSO-UHFFFAOYSA-N 0 0 413.497 2.237 20 0 HEADRN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc(C)c(Cl)n1)CC2 ZINC001164677622 719551156 /nfs/dbraw/zinc/55/11/56/719551156.db2.gz PNEYNWUQXUPVFI-ZDUSSCGKSA-N 0 0 403.857 2.479 20 0 HEADRN CNC(=O)CO[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001164677191 719551288 /nfs/dbraw/zinc/55/12/88/719551288.db2.gz LASPFHRSHFVFFU-GFCCVEGCSA-N 0 0 407.820 2.310 20 0 HEADRN Clc1ccc(-c2ccc(N3CCn4c(CN5CCOCC5)nnc4C3)nn2)cc1 ZINC001164676542 719571245 /nfs/dbraw/zinc/57/12/45/719571245.db2.gz HUMKZCNCVBADDN-UHFFFAOYSA-N 0 0 411.897 2.241 20 0 HEADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2nc(Cl)nc3[nH]cnc32)N1Cc1cccnc1 ZINC001164692534 719772220 /nfs/dbraw/zinc/77/22/20/719772220.db2.gz UUNGTPXXKTZAQR-RYUDHWBXSA-N 0 0 419.823 2.278 20 0 HEADRN FC(F)(c1nc(Cl)ncc1Cl)N1C[C@@H]2OCCN(c3ncccn3)[C@H]2C1 ZINC001164695997 719795238 /nfs/dbraw/zinc/79/52/38/719795238.db2.gz QSNWMLZEVPLOBZ-QWRGUYRKSA-N 0 0 403.220 2.212 20 0 HEADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1C[C@H]2OCCN(c3ncccn3)[C@@H]2C1 ZINC001164692261 719799156 /nfs/dbraw/zinc/79/91/56/719799156.db2.gz MGEZFRSHSKZXQM-CHWSQXEVSA-N 0 0 419.823 2.107 20 0 HEADRN FC(F)(c1cnc2c(Cl)ncnc2c1)N1C[C@H]2OCCN(c3ncccn3)[C@H]2C1 ZINC001164694041 719800104 /nfs/dbraw/zinc/80/01/04/719800104.db2.gz WWIZFJLCGWSAEO-UONOGXRCSA-N 0 0 419.823 2.107 20 0 HEADRN FC(F)(c1c2c(nnc1Cl)CCC2)N1C[C@H]2OCCN(c3ncccn3)[C@H]2C1 ZINC001164691027 719800916 /nfs/dbraw/zinc/80/09/16/719800916.db2.gz CTIQEODTJCCPKT-UONOGXRCSA-N 0 0 408.840 2.048 20 0 HEADRN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(F)(F)c2nc(Cl)ccc2F)C1 ZINC001164698906 719828286 /nfs/dbraw/zinc/82/82/86/719828286.db2.gz WDSKNZSLIVEABL-NSHDSACASA-N 0 0 417.819 2.015 20 0 HEADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(C)nc2cc(F)ccc21 ZINC001164699909 719847131 /nfs/dbraw/zinc/84/71/31/719847131.db2.gz IUBODOYERFHZDW-HRAATJIYSA-N 0 0 402.470 2.310 20 0 HEADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(F)(F)Oc1ccc(Cl)nc1 ZINC001164704618 719848219 /nfs/dbraw/zinc/84/82/19/719848219.db2.gz SCFIAKMVUPQFNY-DYVFJYSZSA-N 0 0 419.856 2.392 20 0 HEADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)nc2[nH]cc(C)c21 ZINC001164705243 719848725 /nfs/dbraw/zinc/84/87/25/719848725.db2.gz TXAAJMQMVFJAOP-DJJJIMSYSA-N 0 0 407.902 2.152 20 0 HEADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc2ccc(OC)cc2nc1C ZINC001164700497 719871627 /nfs/dbraw/zinc/87/16/27/719871627.db2.gz DRTZPXGXDLKRNM-ZHRRBRCNSA-N 0 0 414.506 2.180 20 0 HEADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc(C)nc(-c2ccco2)n1 ZINC001164707375 719872227 /nfs/dbraw/zinc/87/22/27/719872227.db2.gz RXCLPPLSTVKNMI-HRAATJIYSA-N 0 0 400.479 2.278 20 0 HEADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(-c2ccc(C)o2)nn1 ZINC001164707957 719872793 /nfs/dbraw/zinc/87/27/93/719872793.db2.gz WTULQQMGEYAAKG-KKSFZXQISA-N 0 0 400.479 2.278 20 0 HEADRN O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc(Cl)nc3)C[C@H]21 ZINC001164705416 719881613 /nfs/dbraw/zinc/88/16/13/719881613.db2.gz ZEKTYDXOUWVRHW-MRVWCRGKSA-N 0 0 409.824 2.407 20 0 HEADRN O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(C(F)(F)c3cccnc3Cl)C[C@@H]21 ZINC001164697602 719881619 /nfs/dbraw/zinc/88/16/19/719881619.db2.gz COVJGEOJPAGQFY-FRRDWIJNSA-N 0 0 409.824 2.407 20 0 HEADRN Cc1cc(C(F)(F)N2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)c(Cl)nn1 ZINC001164704940 719884666 /nfs/dbraw/zinc/88/46/66/719884666.db2.gz XQASCPZMQGUJKA-JHJVBQTASA-N 0 0 424.839 2.111 20 0 HEADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ccc3ccc(F)cc3n1)CC2 ZINC001164708313 719923199 /nfs/dbraw/zinc/92/31/99/719923199.db2.gz IQJYCIYHZNAIGL-UHFFFAOYSA-N 0 0 408.481 2.058 20 0 HEADRN O=C([C@@H]1COC[C@@H]2CN(C(F)(F)Oc3ccnc(Cl)c3)C[C@H]21)N1CCCCO1 ZINC001164702446 719923989 /nfs/dbraw/zinc/92/39/89/719923989.db2.gz GDBAOLVYVUCXHF-NWANDNLSSA-N 0 0 417.840 2.413 20 0 HEADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cc(Cl)cc(Cl)n1)CC2 ZINC001164704165 719930078 /nfs/dbraw/zinc/93/00/78/719930078.db2.gz OCTBMOVPAQOPGU-UHFFFAOYSA-N 0 0 409.321 2.072 20 0 HEADRN CNC(=O)CN1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3F)C2)C1 ZINC001164717260 720215205 /nfs/dbraw/zinc/21/52/05/720215205.db2.gz HMEMFBVBWLXEIS-KRWDZBQOSA-N 0 0 420.863 2.084 20 0 HEADRN O=C([C@@H]1Cn2nccc2CN(C(F)(F)Oc2cnc(Cl)cn2)C1)N1CCCC1 ZINC001164818759 720267988 /nfs/dbraw/zinc/26/79/88/720267988.db2.gz MQSWVLSLVKVNMW-LBPRGKRZSA-N 0 0 412.828 2.010 20 0 HEADRN CNC(=O)CN1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C(C)(C)C)n3)C2)C1 ZINC001164720728 720276130 /nfs/dbraw/zinc/27/61/30/720276130.db2.gz COHIAORWAMGHAK-FQEVSTJZSA-N 0 0 409.962 2.092 20 0 HEADRN CNC(=O)CN1CCOC[C@]2(CCCN(c3cc4nc(Cl)cnc4cc3F)C2)C1 ZINC001164720667 720293533 /nfs/dbraw/zinc/29/35/33/720293533.db2.gz BYMUABQRWNPKDT-HXUWFJFHSA-N 0 0 421.904 2.087 20 0 HEADRN CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc4nc(Cl)cnc4cc3F)C2)C1 ZINC001164720666 720294681 /nfs/dbraw/zinc/29/46/81/720294681.db2.gz BYMUABQRWNPKDT-FQEVSTJZSA-N 0 0 421.904 2.087 20 0 HEADRN CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(N)c2)O1 ZINC001164726141 720323061 /nfs/dbraw/zinc/32/30/61/720323061.db2.gz PURJEJLILKSLRS-QEJZJMRPSA-N 0 0 418.872 2.093 20 0 HEADRN Cc1nc(CN2CCN(C)C3(CCN(c4ccnc(C5CC5)n4)CC3)C2=O)cs1 ZINC001164821061 720374829 /nfs/dbraw/zinc/37/48/29/720374829.db2.gz WGMWNGRLUBNYQO-UHFFFAOYSA-N 0 0 412.563 2.432 20 0 HEADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3N)C[C@H]21 ZINC001164828549 720419443 /nfs/dbraw/zinc/41/94/43/720419443.db2.gz XEZYSPNEDWUWSD-AGIUHOORSA-N 0 0 402.873 2.476 20 0 HEADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cc(N)cc(Cl)n3)C[C@H]21 ZINC001164828148 720420138 /nfs/dbraw/zinc/42/01/38/720420138.db2.gz WNDCXBJWSHOFMS-BZPMIXESSA-N 0 0 402.873 2.476 20 0 HEADRN COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2COC[C@@H](CC(=O)NC(C)C)[C@H]2C1 ZINC001164827252 720425130 /nfs/dbraw/zinc/42/51/30/720425130.db2.gz RZOYPTMHRYACFJ-JHJVBQTASA-N 0 0 418.872 2.297 20 0 HEADRN COc1cc(C(F)(F)N2C[C@@H]3COC[C@@H](CC(=O)NC(C)C)[C@H]3C2)nc(Cl)n1 ZINC001164827688 720425517 /nfs/dbraw/zinc/42/55/17/720425517.db2.gz VJBXPMQJIGGPNP-JHJVBQTASA-N 0 0 418.872 2.297 20 0 HEADRN Cc1ccc(Cl)nc1N1Cc2ncn(C)c2[C@H](COCCN2CCOCC2)C1 ZINC001164825512 720429255 /nfs/dbraw/zinc/42/92/55/720429255.db2.gz NUMCIXMWSRYWFQ-INIZCTEOSA-N 0 0 405.930 2.230 20 0 HEADRN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1cc3ccccc3cn1)C2 ZINC001164824669 720438400 /nfs/dbraw/zinc/43/84/00/720438400.db2.gz OZJXMPITVIAMQX-HXUWFJFHSA-N 0 0 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ISIUIDCKOJXXMM-LJQANCHMSA-N 0 0 404.829 2.266 20 0 HEADRN C[C@@H]1CN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)nc3)cc2)C[C@@H](C)O1 ZINC000769910942 1078631891 /nfs/dbraw/zinc/63/18/91/1078631891.db2.gz UNAAFHGNPIKGRJ-HUUCEWRRSA-N 0 0 418.519 2.198 20 0 HEADRN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000745742642 1078632086 /nfs/dbraw/zinc/63/20/86/1078632086.db2.gz ALTWEMVRZTVQLD-ITMYJUKJSA-N 0 0 403.262 2.139 20 0 HEADRN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000745742639 1078632117 /nfs/dbraw/zinc/63/21/17/1078632117.db2.gz ALTWEMVRZTVQLD-FZNYLWTLSA-N 0 0 403.262 2.139 20 0 HEADRN O=S(=O)(Oc1ccc(Cl)nc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000769914885 1078633127 /nfs/dbraw/zinc/63/31/27/1078633127.db2.gz WFACHZMWQOSLJZ-UHFFFAOYSA-N 0 0 402.881 2.287 20 0 HEADRN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCc1ncc(-c2ccc(Br)cc2)o1 ZINC000745746422 1078633090 /nfs/dbraw/zinc/63/30/90/1078633090.db2.gz SPGGQPHERXVBAU-MGPLVRAMSA-N 0 0 423.263 2.423 20 0 HEADRN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000745746366 1078633579 /nfs/dbraw/zinc/63/35/79/1078633579.db2.gz SFOQGJIVHQXOBH-NXSYQRQQSA-N 0 0 423.680 2.404 20 0 HEADRN C[C@@H](OC(=O)c1nnn(C2CC2)c1C(F)(F)F)C(=O)N1CC(=O)Nc2ccccc21 ZINC000745776406 1078638172 /nfs/dbraw/zinc/63/81/72/1078638172.db2.gz PUPSQRCYYKTWCJ-SECBINFHSA-N 0 0 423.351 2.162 20 0 HEADRN CCn1nc(CNCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)c2ccccc21 ZINC000769918384 1078634198 /nfs/dbraw/zinc/63/41/98/1078634198.db2.gz VQUCUWOFISMYOH-UHFFFAOYSA-N 0 0 415.515 2.434 20 0 HEADRN CCN(CC(=O)NC(C)C)C(=O)COC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000745748438 1078634211 /nfs/dbraw/zinc/63/42/11/1078634211.db2.gz YZZPZXGBVQSAFU-HNNXBMFYSA-N 0 0 419.305 2.333 20 0 HEADRN CS(=O)(=O)Cc1ccc(S(=O)(=O)Oc2ccc(Br)nc2)cc1 ZINC000769917091 1078634351 /nfs/dbraw/zinc/63/43/51/1078634351.db2.gz ZGDRPILUNJPYIZ-UHFFFAOYSA-N 0 0 406.279 2.156 20 0 HEADRN CC(=O)N[C@H]1CCCN(C(=O)COC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000745750559 1078635975 /nfs/dbraw/zinc/63/59/75/1078635975.db2.gz SSPDHUBWTFOXHK-JKSUJKDBSA-N 0 0 417.289 2.087 20 0 HEADRN CC1CCN(C(=O)COC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC1 ZINC000769870188 1078637466 /nfs/dbraw/zinc/63/74/66/1078637466.db2.gz OYZKNYRWDGOJQI-UHFFFAOYSA-N 0 0 418.309 2.268 20 0 HEADRN CS(=O)(=O)c1ccc(C(=O)OCc2nnc(C3CC3)o2)cc1Br ZINC000769870334 1078637487 /nfs/dbraw/zinc/63/74/87/1078637487.db2.gz SOGWYVXNYQMISX-UHFFFAOYSA-N 0 0 401.238 2.470 20 0 HEADRN CS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CCCC2)cc1Br ZINC000769870329 1078637499 /nfs/dbraw/zinc/63/74/99/1078637499.db2.gz SDWLKRIBUIPHLJ-UHFFFAOYSA-N 0 0 404.282 2.068 20 0 HEADRN COc1ccc(C(=O)NCC(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)cc1C1CC1 ZINC000769904910 1078627122 /nfs/dbraw/zinc/62/71/22/1078627122.db2.gz REACWJKEIFAOOQ-UHFFFAOYSA-N 0 0 408.414 2.296 20 0 HEADRN C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NC[C@@](C)(O)c3ccco3)cc2)C[C@H](C)O1 ZINC000745778662 1078639249 /nfs/dbraw/zinc/63/92/49/1078639249.db2.gz JJPXILVMBNMHTH-ZMPRRUGASA-N 0 0 415.490 2.236 20 0 HEADRN CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCS(=O)(=O)CC ZINC001109543798 1078639561 /nfs/dbraw/zinc/63/95/61/1078639561.db2.gz IXRKDOHNMCHUPE-GFEQUFNTSA-N 0 0 400.585 2.128 20 0 HEADRN Cc1ccc2nc(COC(=O)c3nccn4c(Br)cnc34)cc(=O)n2c1 ZINC000769878629 1078640019 /nfs/dbraw/zinc/64/00/19/1078640019.db2.gz XTIXQIQAGKIMNX-UHFFFAOYSA-N 0 0 414.219 2.165 20 0 HEADRN O=C(COC(=O)c1nccn2c(Br)cnc12)NCCc1ccc(F)cc1 ZINC000769880609 1078641145 /nfs/dbraw/zinc/64/11/45/1078641145.db2.gz ZRBBUVGZWSMLJD-UHFFFAOYSA-N 0 0 421.226 2.147 20 0 HEADRN COc1cccc(NC(=O)COC(=O)c2nccn3c(Br)cnc23)c1 ZINC000769880471 1078641182 /nfs/dbraw/zinc/64/11/82/1078641182.db2.gz WDWNYGDRTVIVAD-UHFFFAOYSA-N 0 0 405.208 2.296 20 0 HEADRN Cn1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CCCCN3C(=O)OC(C)(C)C)C2)cn1 ZINC000745783507 1078641343 /nfs/dbraw/zinc/64/13/43/1078641343.db2.gz UINPDIXSYUHULD-IRXDYDNUSA-N 0 0 420.558 2.478 20 0 HEADRN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O ZINC000769879938 1078641863 /nfs/dbraw/zinc/64/18/63/1078641863.db2.gz CMGHIWNNKBOZRL-UWVGGRQHSA-N 0 0 424.397 2.151 20 0 HEADRN COC(=O)c1cccc(C(=O)COC(=O)c2nccn3c(Br)cnc23)c1 ZINC000769882912 1078642215 /nfs/dbraw/zinc/64/22/15/1078642215.db2.gz JQPHIAXKFFANRY-UHFFFAOYSA-N 0 0 418.203 2.318 20 0 HEADRN CC(=O)c1cccc(NC(=O)COC(=O)c2nccn3c(Br)cnc23)c1 ZINC000769884875 1078643279 /nfs/dbraw/zinc/64/32/79/1078643279.db2.gz WDCSYWDUPGRKTA-UHFFFAOYSA-N 0 0 417.219 2.490 20 0 HEADRN CN(Cc1cscn1)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000769886685 1078643407 /nfs/dbraw/zinc/64/34/07/1078643407.db2.gz RAOYFONRRSZCBN-QGZVFWFLSA-N 0 0 410.858 2.361 20 0 HEADRN CCOC(=O)N(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)cc1 ZINC000769887593 1078643777 /nfs/dbraw/zinc/64/37/77/1078643777.db2.gz WPOQMLYSPYYSAQ-UHFFFAOYSA-N 0 0 406.464 2.177 20 0 HEADRN COc1cc(NC(=O)CSc2ccc3c(c2)OCCO3)c(C(N)=O)cc1OC ZINC000745785693 1078644090 /nfs/dbraw/zinc/64/40/90/1078644090.db2.gz JUYLESOZISSOTF-UHFFFAOYSA-N 0 0 404.444 2.305 20 0 HEADRN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000745789391 1078645114 /nfs/dbraw/zinc/64/51/14/1078645114.db2.gz KGVCHBDATXDVOA-LJQANCHMSA-N 0 0 411.568 2.010 20 0 HEADRN COc1cc(NC(=O)CSC(=S)N2CCC(C)CC2)c(C(N)=O)cc1OC ZINC000745787839 1078645135 /nfs/dbraw/zinc/64/51/35/1078645135.db2.gz IPGQTZFVBJJZPB-UHFFFAOYSA-N 0 0 411.549 2.491 20 0 HEADRN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000745789390 1078645139 /nfs/dbraw/zinc/64/51/39/1078645139.db2.gz KGVCHBDATXDVOA-IBGZPJMESA-N 0 0 411.568 2.010 20 0 HEADRN O=C(OCc1cnn(Cc2ccccc2)c1)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000745767586 1078646510 /nfs/dbraw/zinc/64/65/10/1078646510.db2.gz LDRRUFOZLGOQAX-UHFFFAOYSA-N 0 0 404.426 2.446 20 0 HEADRN COc1cc(C(=O)NCC(=O)O[C@H]2Cc3ccccc3C2=O)ccc1OC(F)F ZINC000769951716 1078649912 /nfs/dbraw/zinc/64/99/12/1078649912.db2.gz BBIRXTQGZXZNSI-INIZCTEOSA-N 0 0 405.353 2.377 20 0 HEADRN CCOC(=O)C1=C(CN2CCC23CCOCC3)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000769893416 1078646624 /nfs/dbraw/zinc/64/66/24/1078646624.db2.gz OLNIFUMOLNWEMF-LJQANCHMSA-N 0 0 415.490 2.121 20 0 HEADRN C[C@@H](OC(=O)c1ccncc1Cl)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000745769533 1078647011 /nfs/dbraw/zinc/64/70/11/1078647011.db2.gz YYBROSXMWWIPSP-SNVBAGLBSA-N 0 0 405.794 2.400 20 0 HEADRN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1nnn(C2CC2)c1C(F)(F)F ZINC000745771403 1078647488 /nfs/dbraw/zinc/64/74/88/1078647488.db2.gz MRXMVJWYTBMRKT-SECBINFHSA-N 0 0 400.361 2.166 20 0 HEADRN C[C@H](OC(=O)c1ccncc1Cl)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000745772412 1078648026 /nfs/dbraw/zinc/64/80/26/1078648026.db2.gz WEUDWJWXVAKMMK-QMMMGPOBSA-N 0 0 415.755 2.453 20 0 HEADRN CC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 ZINC000769947582 1078648074 /nfs/dbraw/zinc/64/80/74/1078648074.db2.gz HEMATJXQXCDTLJ-HNNXBMFYSA-N 0 0 406.298 2.314 20 0 HEADRN O=C(Cc1cccs1)OCC(=O)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000769946604 1078648154 /nfs/dbraw/zinc/64/81/54/1078648154.db2.gz ADCREGQSTNEMHM-HNNXBMFYSA-N 0 0 409.460 2.317 20 0 HEADRN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H]2CCNC2=O)c1 ZINC000769948023 1078648596 /nfs/dbraw/zinc/64/85/96/1078648596.db2.gz CTEQCPSMQOHMND-INIZCTEOSA-N 0 0 408.863 2.210 20 0 HEADRN O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)NC1CCC(O)(c2cccnc2)CC1 ZINC000769956349 1078651301 /nfs/dbraw/zinc/65/13/01/1078651301.db2.gz PXBMISVXQRZSOV-UHFFFAOYSA-N 0 0 423.473 2.085 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC000745797625 1078651573 /nfs/dbraw/zinc/65/15/73/1078651573.db2.gz NUAGRXUUEURNPN-MSOLQXFVSA-N 0 0 410.559 2.140 20 0 HEADRN CCN(CC1CCN(C(=O)NCCS(=O)(=O)CC)CC1)C(=O)OC(C)(C)C ZINC000745799566 1078651967 /nfs/dbraw/zinc/65/19/67/1078651967.db2.gz RDVWHIVVWHWDBW-UHFFFAOYSA-N 0 0 405.561 2.100 20 0 HEADRN CC(C)(C)OC(=O)N(CCNC(=O)N1CCCC[C@@H]1CN1CCOCC1)C1CC1 ZINC000745801250 1078652925 /nfs/dbraw/zinc/65/29/25/1078652925.db2.gz VWGIPHQSUCIPTI-GOSISDBHSA-N 0 0 410.559 2.282 20 0 HEADRN Cc1nc2n(n1)C[C@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)CC2 ZINC000745801154 1078652953 /nfs/dbraw/zinc/65/29/53/1078652953.db2.gz UDDNCNGGTUTIJY-SJORKVTESA-N 0 0 414.510 2.467 20 0 HEADRN Cc1noc(CCC(=O)OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)n1 ZINC000769969398 1078659593 /nfs/dbraw/zinc/65/95/93/1078659593.db2.gz YDIHWDGUXIKZRN-MRXNPFEDSA-N 0 0 415.446 2.379 20 0 HEADRN CN(C)c1ccc(N2CCC(NC(=O)N[C@H]3CCC[C@@H](S(C)(=O)=O)C3)CC2)cc1 ZINC000745836085 1078660297 /nfs/dbraw/zinc/66/02/97/1078660297.db2.gz BZWDHWYDRMDEOZ-FXAWDEMLSA-N 0 0 422.595 2.376 20 0 HEADRN CCc1c(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)cnn1-c1ccccc1C ZINC000769963189 1078654737 /nfs/dbraw/zinc/65/47/37/1078654737.db2.gz QFQDKGCFVICBFV-UHFFFAOYSA-N 0 0 401.492 2.237 20 0 HEADRN CCC(CC)(CNC(=O)N[C@H](C)[C@@H](C)N1CCOCC1)NC(=O)OC(C)(C)C ZINC000745806077 1078655090 /nfs/dbraw/zinc/65/50/90/1078655090.db2.gz CFVVPNMAKACKEK-HZPDHXFCSA-N 0 0 400.564 2.478 20 0 HEADRN Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(S(=O)(=O)N(C)C)nc3)C2)cc1 ZINC000769964259 1078655909 /nfs/dbraw/zinc/65/59/09/1078655909.db2.gz YLBJGXCVBNUKBP-QGZVFWFLSA-N 0 0 402.520 2.039 20 0 HEADRN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCc2ccc(N3CCCCC3)nc2)C1 ZINC000769965426 1078656631 /nfs/dbraw/zinc/65/66/31/1078656631.db2.gz FTUIYROLFNUEPK-ICSRJNTNSA-N 0 0 412.538 2.461 20 0 HEADRN CC(C)C[C@@H](NC(=O)Nc1ccc(-n2nccn2)nc1)C(=O)Nc1nccs1 ZINC000769965953 1078656962 /nfs/dbraw/zinc/65/69/62/1078656962.db2.gz JTLVAQGDMSLKEG-CYBMUJFWSA-N 0 0 400.468 2.294 20 0 HEADRN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NCc2cnn(Cc3ccccc3)c2)C1 ZINC000769970837 1078660027 /nfs/dbraw/zinc/66/00/27/1078660027.db2.gz HQWZIOIMEOEPEA-VQTJNVASSA-N 0 0 408.506 2.320 20 0 HEADRN CC(C)[C@H]1CCc2ccccc2N1C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000769969967 1078660038 /nfs/dbraw/zinc/66/00/38/1078660038.db2.gz DUERUUDSTCEWPJ-FUHWJXTLSA-N 0 0 417.531 2.156 20 0 HEADRN O=C(COC(=O)[C@@H]1CC1(Cl)Cl)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000769967035 1078658147 /nfs/dbraw/zinc/65/81/47/1078658147.db2.gz ONEILDHDVTUOBE-OLZOCXBDSA-N 0 0 422.261 2.206 20 0 HEADRN CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H]1Cc2ccccc2C1=O ZINC000769968173 1078658169 /nfs/dbraw/zinc/65/81/69/1078658169.db2.gz MTPGVNGIDMZTEW-QZTJIDSGSA-N 0 0 419.524 2.437 20 0 HEADRN CO[C@]1(C)C[C@@H](NC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1(C)C ZINC000745814998 1078658396 /nfs/dbraw/zinc/65/83/96/1078658396.db2.gz BWACQTWNWOWCTQ-IUODEOHRSA-N 0 0 415.478 2.051 20 0 HEADRN CCC(CC)C(=O)N1CCC(NC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)CC1 ZINC000769968187 1078658601 /nfs/dbraw/zinc/65/86/01/1078658601.db2.gz MULKBUVPSCXQSW-HKUYNNGSSA-N 0 0 419.570 2.302 20 0 HEADRN CCC(CC)(CCO)CNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000745816333 1078658859 /nfs/dbraw/zinc/65/88/59/1078658859.db2.gz XNGZWWZGIMQHPP-UHFFFAOYSA-N 0 0 417.494 2.036 20 0 HEADRN Cc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCN(c4ccccc4F)C3=O)C2=O)cc1 ZINC000745817328 1078659245 /nfs/dbraw/zinc/65/92/45/1078659245.db2.gz YHIXZQQQEPOJEU-MSOLQXFVSA-N 0 0 410.449 2.344 20 0 HEADRN COc1cc(OC)cc([C@@H](O)CNC(=O)NCCc2csc(N3CCCC3)n2)c1 ZINC000745838127 1078661330 /nfs/dbraw/zinc/66/13/30/1078661330.db2.gz LINSZGWKHJBHDP-SFHVURJKSA-N 0 0 420.535 2.336 20 0 HEADRN CC(C)(C)OC(=O)NC[C@H](NC(=O)N1CCNC(=O)[C@H]1c1cccs1)C1CC1 ZINC000745840558 1078661892 /nfs/dbraw/zinc/66/18/92/1078661892.db2.gz LBVFHOGWCUWVSD-DZGCQCFKSA-N 0 0 408.524 2.234 20 0 HEADRN CC(C)Cn1ccnc1CNC(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000745843073 1078662188 /nfs/dbraw/zinc/66/21/88/1078662188.db2.gz YXXISLJHPXMRLN-UHFFFAOYSA-N 0 0 422.574 2.233 20 0 HEADRN O=C(NCCCOC1CCOCC1)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000745844974 1078662875 /nfs/dbraw/zinc/66/28/75/1078662875.db2.gz FASWWYLUCSDITE-UHFFFAOYSA-N 0 0 403.479 2.297 20 0 HEADRN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2=NN(CC(C)C)C(=O)CC2)c1C ZINC000766335898 1078663250 /nfs/dbraw/zinc/66/32/50/1078663250.db2.gz FUUWCSSJXWWYNH-UHFFFAOYSA-N 0 0 408.524 2.127 20 0 HEADRN CON(C)S(=O)(=O)c1ccc(NC(=O)NCCSCC(F)(F)F)cc1 ZINC000769935846 1078664317 /nfs/dbraw/zinc/66/43/17/1078664317.db2.gz CAQYPGVALWCOGS-UHFFFAOYSA-N 0 0 401.432 2.286 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCNC(=O)[C@@H]2c2cccs2)C1 ZINC000745823184 1078664313 /nfs/dbraw/zinc/66/43/13/1078664313.db2.gz UKQONQVRNLKOLR-ZFWWWQNUSA-N 0 0 408.524 2.330 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000745823219 1078664319 /nfs/dbraw/zinc/66/43/19/1078664319.db2.gz UXYLSZHMFAVOCT-ROUUACIJSA-N 0 0 410.559 2.282 20 0 HEADRN CCS(=O)(=O)C[C@@H](C)NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000745820966 1078664348 /nfs/dbraw/zinc/66/43/48/1078664348.db2.gz NPJZQSNRZMVBEG-GDBMZVCRSA-N 0 0 413.540 2.375 20 0 HEADRN CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000745823218 1078664363 /nfs/dbraw/zinc/66/43/63/1078664363.db2.gz UXYLSZHMFAVOCT-QZTJIDSGSA-N 0 0 410.559 2.282 20 0 HEADRN CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(Br)c(F)c2)cn1 ZINC000769936108 1078664406 /nfs/dbraw/zinc/66/44/06/1078664406.db2.gz DSCVTNCKJRAKGF-UHFFFAOYSA-N 0 0 403.229 2.453 20 0 HEADRN C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)nc1)c1nc2cc(Cl)ccc2[nH]1 ZINC000769934827 1078664411 /nfs/dbraw/zinc/66/44/11/1078664411.db2.gz GHFOFUJZXICZKF-JTQLQIEISA-N 0 0 407.883 2.353 20 0 HEADRN COc1cccc(NC(=O)CSc2ccccc2C(=O)O[C@@H]2CCNC2=O)c1 ZINC000769938831 1078665932 /nfs/dbraw/zinc/66/59/32/1078665932.db2.gz DYYYUJZNSCNXKM-MRXNPFEDSA-N 0 0 400.456 2.471 20 0 HEADRN CC(C)[C@H](CNC(=O)N1CCCC[C@@H]1CN1CCOCC1)NC(=O)OC(C)(C)C ZINC000745829140 1078666019 /nfs/dbraw/zinc/66/60/19/1078666019.db2.gz WHQOFJFQKDQJHI-MSOLQXFVSA-N 0 0 412.575 2.432 20 0 HEADRN Cc1cc(COC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)n(C)n1 ZINC000770011168 1078666995 /nfs/dbraw/zinc/66/69/95/1078666995.db2.gz VUPRVJWHUZVFIG-SFHVURJKSA-N 0 0 408.817 2.031 20 0 HEADRN CON(C)S(=O)(=O)c1cc(C(=O)NC[C@H](C)Cn2ccnc2C)ccc1Cl ZINC000745866570 1078667500 /nfs/dbraw/zinc/66/75/00/1078667500.db2.gz HNVHBVQRXZBHFQ-LBPRGKRZSA-N 0 0 414.915 2.093 20 0 HEADRN C[C@@H]1C[C@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CCO1 ZINC000770011963 1078667907 /nfs/dbraw/zinc/66/79/07/1078667907.db2.gz UWORDUTYBAGKBY-HNYWDRBLSA-N 0 0 411.861 2.177 20 0 HEADRN COc1cccc(OCCCNC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)c1 ZINC000770012281 1078667969 /nfs/dbraw/zinc/66/79/69/1078667969.db2.gz CJHAOTKIPGDUME-LPHOPBHVSA-N 0 0 402.495 2.353 20 0 HEADRN CN(C)c1ccc(N2CCC(NC(=O)NC[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000745868245 1078668060 /nfs/dbraw/zinc/66/80/60/1078668060.db2.gz ORSJHTHTBRAJKW-OAQYLSRUSA-N 0 0 412.534 2.461 20 0 HEADRN Cc1ncc(COC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)c(C)n1 ZINC000770013757 1078668464 /nfs/dbraw/zinc/66/84/64/1078668464.db2.gz QMWAWHYAANLFHF-LJQANCHMSA-N 0 0 420.828 2.396 20 0 HEADRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)cn1 ZINC000769976967 1078671658 /nfs/dbraw/zinc/67/16/58/1078671658.db2.gz PHQOXXUMBJRWSB-MJGOQNOKSA-N 0 0 400.527 2.317 20 0 HEADRN Cc1nc(CN2CCN(C(=O)N[C@H]3CCN(c4ccc(C)cc4)C3=O)CC2)cs1 ZINC000745852956 1078671696 /nfs/dbraw/zinc/67/16/96/1078671696.db2.gz CGCIIJLAPPPWHO-IBGZPJMESA-N 0 0 413.547 2.393 20 0 HEADRN CS(=O)(=O)CCOCCNC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000745853979 1078672226 /nfs/dbraw/zinc/67/22/26/1078672226.db2.gz AURWXDNBJABTCM-UHFFFAOYSA-N 0 0 408.442 2.441 20 0 HEADRN C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)Nc2ccnn2CC2CC2)C1=O ZINC000769984758 1078673739 /nfs/dbraw/zinc/67/37/39/1078673739.db2.gz DPMBDYSKUGMAQF-LJQANCHMSA-N 0 0 419.844 2.491 20 0 HEADRN Cn1cc(N2CCC[C@H](NC(=O)N3CCc4c(cccc4N4CCOC4=O)C3)C2)cn1 ZINC000745855906 1078673787 /nfs/dbraw/zinc/67/37/87/1078673787.db2.gz CRLNBZZWXLGZRG-KRWDZBQOSA-N 0 0 424.505 2.113 20 0 HEADRN CN(C(=O)OC(C)(C)C)C1CCN(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000745858687 1078674765 /nfs/dbraw/zinc/67/47/65/1078674765.db2.gz SUIMVRHKOTUXJC-INIZCTEOSA-N 0 0 420.558 2.430 20 0 HEADRN CC(C)CO[C@@H](C)C(=O)OCC(=O)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000769987606 1078675245 /nfs/dbraw/zinc/67/52/45/1078675245.db2.gz IWGVULYGQNADNY-YOEHRIQHSA-N 0 0 413.467 2.074 20 0 HEADRN Cc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]3CN3C[C@H](C)O[C@@H](C)C3)C2=O)cc1 ZINC000745859548 1078675380 /nfs/dbraw/zinc/67/53/80/1078675380.db2.gz SJVASOSSMXPXMM-MMKMLUHNSA-N 0 0 414.550 2.384 20 0 HEADRN CCn1c(CCNC(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)nc2ccccc21 ZINC000769989369 1078675880 /nfs/dbraw/zinc/67/58/80/1078675880.db2.gz LQQNTTXQDIZHAW-OXJNMPFZSA-N 0 0 410.522 2.487 20 0 HEADRN CCCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000745879392 1078682465 /nfs/dbraw/zinc/68/24/65/1078682465.db2.gz RSFVTBQDQMGDLR-PKOBYXMFSA-N 0 0 400.523 2.438 20 0 HEADRN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCc2noc(-c3cccs3)n2)C1 ZINC000769990161 1078676387 /nfs/dbraw/zinc/67/63/87/1078676387.db2.gz PMYZHSOSLOYLQF-WFASDCNBSA-N 0 0 402.480 2.187 20 0 HEADRN C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCOC3(CCCC3)C2)C1=O ZINC000769993501 1078677399 /nfs/dbraw/zinc/67/73/99/1078677399.db2.gz BOMRJSXVSQSLQI-LJQANCHMSA-N 0 0 423.872 2.418 20 0 HEADRN O=C(CCc1nccs1)OCC(=O)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000769993409 1078677487 /nfs/dbraw/zinc/67/74/87/1078677487.db2.gz HNMWTINTDUUPQE-HNNXBMFYSA-N 0 0 424.475 2.102 20 0 HEADRN COCCC1(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000769995553 1078678071 /nfs/dbraw/zinc/67/80/71/1078678071.db2.gz MQVCNDMOWIAIMQ-GOSISDBHSA-N 0 0 411.861 2.179 20 0 HEADRN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000769995773 1078678551 /nfs/dbraw/zinc/67/85/51/1078678551.db2.gz MQWDSTDZIZENFY-RDJZCZTQSA-N 0 0 421.542 2.275 20 0 HEADRN Cc1ccc(N2CCC[C@H](NC(=O)N(C)C[C@H](O)COCCOC(C)C)C2)cc1 ZINC000745887124 1078678803 /nfs/dbraw/zinc/67/88/03/1078678803.db2.gz UYFWJMWFOHSWAU-FPOVZHCZSA-N 0 0 407.555 2.408 20 0 HEADRN CC(C)C[C@@H](O)CNC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000745890649 1078679297 /nfs/dbraw/zinc/67/92/97/1078679297.db2.gz YZKDHAWSWFQAIX-OAHLLOKOSA-N 0 0 417.597 2.171 20 0 HEADRN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCCCO3)C1 ZINC000769996020 1078679319 /nfs/dbraw/zinc/67/93/19/1078679319.db2.gz JDXNDEJBBFQZDZ-VQIMIIECSA-N 0 0 400.479 2.237 20 0 HEADRN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NCc2ccc3c(c2)OCCCO3)C1 ZINC000769996018 1078679325 /nfs/dbraw/zinc/67/93/25/1078679325.db2.gz JDXNDEJBBFQZDZ-QFBILLFUSA-N 0 0 400.479 2.237 20 0 HEADRN CS(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2cccc(F)c2)cc1Br ZINC000769998628 1078679980 /nfs/dbraw/zinc/67/99/80/1078679980.db2.gz RNULRAGHEHUXTR-AWEZNQCLSA-N 0 0 416.268 2.455 20 0 HEADRN CCOC(=O)c1cnn(-c2ccc(C(=O)O[C@H]3CCNC3=O)cc2)c1C(F)(F)F ZINC000769998590 1078680034 /nfs/dbraw/zinc/68/00/34/1078680034.db2.gz OQIRRJIODNAYAF-ZDUSSCGKSA-N 0 0 411.336 2.113 20 0 HEADRN O=C(NC[C@@H](O)c1ccco1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000745875897 1078681301 /nfs/dbraw/zinc/68/13/01/1078681301.db2.gz UHYIPNWXKPQTAD-HUUCEWRRSA-N 0 0 409.389 2.409 20 0 HEADRN CS(=O)(=O)[C@H]1CCCCN(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1 ZINC000770002782 1078681300 /nfs/dbraw/zinc/68/13/00/1078681300.db2.gz ZCYXPEMYFJKBDL-KRWDZBQOSA-N 0 0 421.563 2.197 20 0 HEADRN 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COc1cccc(C[C@H](O)C(=O)O[C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000785707101 1080215749 /nfs/dbraw/zinc/21/57/49/1080215749.db2.gz NGWMJJCSYMMIOA-HOTGVXAUSA-N 0 0 408.248 2.131 20 0 HEADRN COc1cccc(C[C@H](O)C(=O)OCC(=O)Nc2cc(C)ccc2-c2n[nH]c(C)n2)c1 ZINC000785707160 1080215774 /nfs/dbraw/zinc/21/57/74/1080215774.db2.gz OLJCABQKOWQNIZ-IBGZPJMESA-N 0 0 424.457 2.182 20 0 HEADRN O=C1NCCN(C(=S)NCCc2cccnc2)[C@H]1c1ccccc1Br ZINC000767920236 1080215785 /nfs/dbraw/zinc/21/57/85/1080215785.db2.gz RPXSDASKISYGBT-INIZCTEOSA-N 0 0 419.348 2.434 20 0 HEADRN CS(=O)(=O)NCCNC(=S)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000767920808 1080216183 /nfs/dbraw/zinc/21/61/83/1080216183.db2.gz XSJPWQJWARSCAP-MRXNPFEDSA-N 0 0 412.968 2.032 20 0 HEADRN Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000785709404 1080216634 /nfs/dbraw/zinc/21/66/34/1080216634.db2.gz CEPOSWYWLGGTKT-SZMVWBNQSA-N 0 0 418.465 2.446 20 0 HEADRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000767923814 1080218563 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CCOC(=O)C1=C(CN2CCS[C@@H]3COCC[C@H]32)NC(=O)N[C@@H]1c1ccccc1 ZINC000767911220 1080224560 /nfs/dbraw/zinc/22/45/60/1080224560.db2.gz HVZGFZMMHKXVDL-ZHALLVOQSA-N 0 0 417.531 2.064 20 0 HEADRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000767910295 1080224621 /nfs/dbraw/zinc/22/46/21/1080224621.db2.gz BOBQTTLCDRYHNR-SECBINFHSA-N 0 0 411.709 2.043 20 0 HEADRN COc1cccc(C[C@@H](O)C(=O)OCC(=O)NC(=O)Nc2cccc(C)c2C)c1 ZINC000785717413 1080224823 /nfs/dbraw/zinc/22/48/23/1080224823.db2.gz QXJGWESVCDTZDU-GOSISDBHSA-N 0 0 400.431 2.107 20 0 HEADRN CC[C@H](OC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1)C(=O)NCc1ccccc1 ZINC000785715713 1080224974 /nfs/dbraw/zinc/22/49/74/1080224974.db2.gz ICZKJUGKTHKQTP-AABGKKOBSA-N 0 0 414.502 2.066 20 0 HEADRN Cn1cc(CCC(=O)Nc2ccccc2C(=O)NCCNC(=O)OC(C)(C)C)cn1 ZINC000785716981 1080225806 /nfs/dbraw/zinc/22/58/06/1080225806.db2.gz PBIPPRPTWLCUAX-UHFFFAOYSA-N 0 0 415.494 2.246 20 0 HEADRN CCOc1ccc(OCCOC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000785716930 1080226268 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Cc1ccc(NC(=O)c2cnn(C)c2Br)cc1C(=O)N1CCOCC1 ZINC000785757671 1080234584 /nfs/dbraw/zinc/23/45/84/1080234584.db2.gz YIQKQZCKJLBQNH-UHFFFAOYSA-N 0 0 407.268 2.216 20 0 HEADRN CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)c1C ZINC000785759528 1080234599 /nfs/dbraw/zinc/23/45/99/1080234599.db2.gz MQQROWLRRHGOCK-GDBMZVCRSA-N 0 0 412.442 2.455 20 0 HEADRN COC(=O)[C@H](C)CN(C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O)C1CC1 ZINC000767941336 1080235129 /nfs/dbraw/zinc/23/51/29/1080235129.db2.gz RNCIVSSUFFAHNZ-WZYMTQMTSA-N 0 0 422.522 2.249 20 0 HEADRN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1)NCc1cccs1 ZINC000785763186 1080236209 /nfs/dbraw/zinc/23/62/09/1080236209.db2.gz ZHQHKGMASKJRMJ-IBGZPJMESA-N 0 0 423.494 2.344 20 0 HEADRN CCOc1nnc(COC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)s1 ZINC000785762767 1080236575 /nfs/dbraw/zinc/23/65/75/1080236575.db2.gz YFTQBKJTOPAPGT-INIZCTEOSA-N 0 0 412.471 2.416 20 0 HEADRN COc1ccc(-c2ncc(C(=O)NCCN3C(=S)N=NC3C)s2)cc1OC ZINC000767945536 1080237120 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