smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCN(CCCOC)C(=O)Nc1cc(C)nn1C ZINC000161487260 520162389 /nfs/dbraw/zinc/16/23/89/520162389.db2.gz YNISUFGBZXQCST-UHFFFAOYSA-N 0 0 296.415 2.789 20 70 CFIDRN CCC(C)(C)C1CCC(NC(=O)COCCOC)CC1 ZINC000218630136 521278214 /nfs/dbraw/zinc/27/82/14/521278214.db2.gz OESWIMBTJRXLCT-UHFFFAOYSA-N 0 0 285.428 2.761 20 70 CFIDRN C[C@@H]1C[C@H](C)CCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000159721012 533782088 /nfs/dbraw/zinc/78/20/88/533782088.db2.gz VPZSJXDZDOJFRN-ZIAGYGMSSA-N 0 0 281.421 2.884 20 70 CFIDRN CC(C)(C)c1nsc(N[C@H]2CC[C@@H](CO)CC2)n1 ZINC000159950290 519144938 /nfs/dbraw/zinc/14/49/38/519144938.db2.gz KMEFTKLKYRKJMK-MGCOHNPYSA-N 0 0 269.414 2.799 20 70 CFIDRN CC(C)(C)n1ncn(CCOc2ccc(Cl)cc2)c1=O ZINC000159607348 519175990 /nfs/dbraw/zinc/17/59/90/519175990.db2.gz MTFDUEUHLOJDGH-UHFFFAOYSA-N 0 0 295.770 2.532 20 70 CFIDRN CC(C)N(C)C(=O)[C@H](C)Sc1nncc2ccccc21 ZINC000160227394 519603673 /nfs/dbraw/zinc/60/36/73/519603673.db2.gz BBXSEEHTSBLRBW-NSHDSACASA-N 0 0 289.404 2.977 20 70 CFIDRN CC(C)CC1(CNC(=O)c2ncn(-c3ccccc3)n2)CC1 ZINC000159656220 519632086 /nfs/dbraw/zinc/63/20/86/519632086.db2.gz PRETZANXKJEDDP-UHFFFAOYSA-N 0 0 298.390 2.823 20 70 CFIDRN CC(C)CCS(=O)(=O)N[C@H]1CCCc2cc(N)ccc21 ZINC000159456484 519677136 /nfs/dbraw/zinc/67/71/36/519677136.db2.gz YWFWQBNGVNQDCA-HNNXBMFYSA-N 0 0 296.436 2.612 20 70 CFIDRN CC(C)CCn1ccc(NC(=O)NCc2ccncc2)n1 ZINC000160346004 519703311 /nfs/dbraw/zinc/70/33/11/519703311.db2.gz HVVRFIXBKTXJHF-UHFFFAOYSA-N 0 0 287.367 2.646 20 70 CFIDRN CC(C)CCn1ccc(NC(=O)NCCc2ccco2)n1 ZINC000160320308 519703512 /nfs/dbraw/zinc/70/35/12/519703512.db2.gz FPBXSVYEFFWKGZ-UHFFFAOYSA-N 0 0 290.367 2.886 20 70 CFIDRN CC(C)CCn1ccc(NC(=O)N[C@@H](C)C2CC2)n1 ZINC000160655432 519703519 /nfs/dbraw/zinc/70/35/19/519703519.db2.gz WUSHTRRYJDJPAW-NSHDSACASA-N 0 0 264.373 2.849 20 70 CFIDRN CC(C)CCn1ccc(NC(=O)NCC(C)C)n1 ZINC000159913712 519703588 /nfs/dbraw/zinc/70/35/88/519703588.db2.gz KMEUWRUNLCGDIM-UHFFFAOYSA-N 0 0 252.362 2.707 20 70 CFIDRN CC(C)CCn1ccc(NC(=O)[C@@H](C)C2CCOCC2)n1 ZINC000159695925 519703725 /nfs/dbraw/zinc/70/37/25/519703725.db2.gz UKFJRHGYQCEYDB-ZDUSSCGKSA-N 0 0 293.411 2.930 20 70 CFIDRN CC(C)CN(C(=O)N[C@H]1CCO[C@@H](C2CC2)C1)C1CC1 ZINC000160459760 519706247 /nfs/dbraw/zinc/70/62/47/519706247.db2.gz YLAOCAXMUXQUGV-DZGCQCFKSA-N 0 0 280.412 2.774 20 70 CFIDRN CC(C)OC(=O)CCCNC(=O)N(C)CC1CCCC1 ZINC000160166213 519742942 /nfs/dbraw/zinc/74/29/42/519742942.db2.gz HKRMXDOCMQWAOG-UHFFFAOYSA-N 0 0 284.400 2.550 20 70 CFIDRN CCCC(=O)N1CCC(C(=O)N[C@@H]2CCC[C@@H]2CC)CC1 ZINC000159760508 519863353 /nfs/dbraw/zinc/86/33/53/519863353.db2.gz SUOBYQGBQCTPGH-DZGCQCFKSA-N 0 0 294.439 2.720 20 70 CFIDRN CCCC(C)(C)NC(=O)NCCCC(=O)OC(C)C ZINC000160097428 519882181 /nfs/dbraw/zinc/88/21/81/519882181.db2.gz NLOULNVFEZPAQN-UHFFFAOYSA-N 0 0 272.389 2.596 20 70 CFIDRN CCCC(C)(C)NC(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000159773248 519882484 /nfs/dbraw/zinc/88/24/84/519882484.db2.gz DWTRUXMGNJNQFT-GFCCVEGCSA-N 0 0 294.399 2.620 20 70 CFIDRN CC(C)c1nnc(N2C[C@@H](C)OC(C)(C)C2)s1 ZINC000160494325 519889463 /nfs/dbraw/zinc/88/94/63/519889463.db2.gz NLVKCPJZSLWWDI-SECBINFHSA-N 0 0 255.387 2.665 20 70 CFIDRN CCCC1CCC(NC(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000160399402 519897354 /nfs/dbraw/zinc/89/73/54/519897354.db2.gz CCEUSHRETUXZSE-SHARSMKWSA-N 0 0 289.423 2.921 20 70 CFIDRN CC(C)c1nncn1CCNc1nc(C(C)(C)C)ns1 ZINC000159774982 519898042 /nfs/dbraw/zinc/89/80/42/519898042.db2.gz OFMPEHBUYYJKAL-UHFFFAOYSA-N 0 0 294.428 2.663 20 70 CFIDRN Cc1nc(NC(=O)CC[C@H]2CCCO2)cc(C2CC2)n1 ZINC000160128985 534461546 /nfs/dbraw/zinc/46/15/46/534461546.db2.gz HLFPHWSRDBNWLR-GFCCVEGCSA-N 0 0 275.352 2.560 20 70 CFIDRN Cc1ccsc1CCCC(=O)Nc1ccn(C)n1 ZINC000160073118 534464884 /nfs/dbraw/zinc/46/48/84/534464884.db2.gz VUGVIOMAHQBVMS-UHFFFAOYSA-N 0 0 263.366 2.751 20 70 CFIDRN CCCOC(=O)[C@H](C)N1CCC(OC2CCCC2)CC1 ZINC000159977939 520219196 /nfs/dbraw/zinc/21/91/96/520219196.db2.gz UFUJDLMDDLGJHM-ZDUSSCGKSA-N 0 0 283.412 2.752 20 70 CFIDRN CCN(CC(C)C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160247363 520407899 /nfs/dbraw/zinc/40/78/99/520407899.db2.gz XGQSREWWAQVDMZ-KGLIPLIRSA-N 0 0 268.401 2.632 20 70 CFIDRN CCOC(=O)C1(C(=O)NC[C@H]2CCC[C@H](C)C2)CCC1 ZINC000160785303 520444896 /nfs/dbraw/zinc/44/48/96/520444896.db2.gz IYAIDDRPKIDSIT-STQMWFEESA-N 0 0 281.396 2.662 20 70 CFIDRN CCCCN(CCO)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000161006899 520515928 /nfs/dbraw/zinc/51/59/28/520515928.db2.gz JIYLWMBLLJGFLM-UHFFFAOYSA-N 0 0 296.415 2.556 20 70 CFIDRN CCCCNC(=O)Nc1ccn(CCC(C)C)n1 ZINC000159911975 520646311 /nfs/dbraw/zinc/64/63/11/520646311.db2.gz QSLHHBHOGJPJAV-UHFFFAOYSA-N 0 0 252.362 2.851 20 70 CFIDRN CCOC(=O)C[C@@H](C)NC(=O)C[C@H](C)c1ccccc1F ZINC000160581954 520826709 /nfs/dbraw/zinc/82/67/09/520826709.db2.gz LHJFDMAVMNTIGH-NWDGAFQWSA-N 0 0 295.354 2.777 20 70 CFIDRN CCOC(=O)C[C@@H](C)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC000160584452 520827071 /nfs/dbraw/zinc/82/70/71/520827071.db2.gz GUPRMRNTNXOFBD-NWDGAFQWSA-N 0 0 295.354 2.777 20 70 CFIDRN CCOC(=O)C[C@@H](C)NC(=O)Cc1cccc2ccccc21 ZINC000160453236 520829061 /nfs/dbraw/zinc/82/90/61/520829061.db2.gz DWDBLMCPVVGJFZ-CYBMUJFWSA-N 0 0 299.370 2.840 20 70 CFIDRN CCOC(=O)C[C@@H](C)NC(=O)[C@H](CC)c1ccccc1 ZINC000160571957 520830302 /nfs/dbraw/zinc/83/03/02/520830302.db2.gz OTNDKZVBNOMYJP-TZMCWYRMSA-N 0 0 277.364 2.638 20 70 CFIDRN CCOC(=O)C[C@@H](C)NC(=O)c1ccc2ccccc2c1 ZINC000160361911 520834344 /nfs/dbraw/zinc/83/43/44/520834344.db2.gz PYHVPXOJILDUDT-GFCCVEGCSA-N 0 0 285.343 2.911 20 70 CFIDRN CCOC(=O)C[C@H](C)NC(=O)C[C@H](C)C(C)(C)C ZINC000160165891 520873059 /nfs/dbraw/zinc/87/30/59/520873059.db2.gz NMYKCBWUSUCNQS-QWRGUYRKSA-N 0 0 257.374 2.517 20 70 CFIDRN CCOC(=O)C[C@H](C)NC(=O)c1scnc1C(C)(C)C ZINC000160059721 520881821 /nfs/dbraw/zinc/88/18/21/520881821.db2.gz RVJLDMWAXYMGQP-VIFPVBQESA-N 0 0 298.408 2.512 20 70 CFIDRN CCCC[C@@H](CC)CNC(=O)N1CCC[C@@](C)(O)C1 ZINC000159642158 521030662 /nfs/dbraw/zinc/03/06/62/521030662.db2.gz NLSLPPARLNSFGH-UKRRQHHQSA-N 0 0 270.417 2.759 20 70 CFIDRN CCC(C)(CC)NC(=O)NCCc1cscn1 ZINC000159516204 521375552 /nfs/dbraw/zinc/37/55/52/521375552.db2.gz HZUFLPNQEDKMMJ-UHFFFAOYSA-N 0 0 255.387 2.564 20 70 CFIDRN CCCCn1ncc(NC(=O)NC(C)(C)C)c1C ZINC000159847988 521403310 /nfs/dbraw/zinc/40/33/10/521403310.db2.gz IEBNMPNDIQJVDA-UHFFFAOYSA-N 0 0 252.362 2.912 20 70 CFIDRN CCC(CC)c1nnc(NC(=O)N[C@]2(C)CCOC2)s1 ZINC000159976648 521636348 /nfs/dbraw/zinc/63/63/48/521636348.db2.gz QFRWWQHDSNTOGO-CYBMUJFWSA-N 0 0 298.412 2.742 20 70 CFIDRN CCCn1nc(C)c(C(=O)N[C@H](C)c2cccnc2)c1C ZINC000161484666 521667104 /nfs/dbraw/zinc/66/71/04/521667104.db2.gz NZPZZOHZMZSLKV-LLVKDONJSA-N 0 0 286.379 2.796 20 70 CFIDRN CCOCCC1(CNC(=O)CCC2CC2)CCC1 ZINC000161122707 521682407 /nfs/dbraw/zinc/68/24/07/521682407.db2.gz JAOOMHADXCRQBI-UHFFFAOYSA-N 0 0 253.386 2.890 20 70 CFIDRN CCS[C@@H](C(=O)N(C)Cc1cccn1C)C(C)C ZINC000160994455 521720378 /nfs/dbraw/zinc/72/03/78/521720378.db2.gz TWDLGIRFZZTXKO-CYBMUJFWSA-N 0 0 268.426 2.761 20 70 CFIDRN CCS[C@H](C(=O)N(C)Cc1cccn1C)C(C)C ZINC000160994331 521727920 /nfs/dbraw/zinc/72/79/20/521727920.db2.gz TWDLGIRFZZTXKO-ZDUSSCGKSA-N 0 0 268.426 2.761 20 70 CFIDRN CCc1nc(-c2ccccc2NC(=O)C(C)C)n[nH]1 ZINC000161280011 522119344 /nfs/dbraw/zinc/11/93/44/522119344.db2.gz RBLHRQCBKHKLIA-UHFFFAOYSA-N 0 0 258.325 2.629 20 70 CFIDRN CCc1nc(-c2ccccc2NC(=O)c2cc(C)no2)n[nH]1 ZINC000160985939 522119507 /nfs/dbraw/zinc/11/95/07/522119507.db2.gz CFYCUKIOTPAVPW-UHFFFAOYSA-N 0 0 297.318 2.583 20 70 CFIDRN CCc1nc(-c2ccccc2NC(=O)c2ccoc2)n[nH]1 ZINC000161229662 522123434 /nfs/dbraw/zinc/12/34/34/522123434.db2.gz QKLYIOMPAZKJFY-UHFFFAOYSA-N 0 0 282.303 2.879 20 70 CFIDRN CC[C@H](CCO)NC(=O)CSCc1ccc(C)cc1 ZINC000160125118 522150692 /nfs/dbraw/zinc/15/06/92/522150692.db2.gz TXXNTUAPQMWVMS-CQSZACIVSA-N 0 0 281.421 2.505 20 70 CFIDRN CC[C@@H](CCO)NC(=O)c1oc2ccc(F)cc2c1C ZINC000160116677 522522793 /nfs/dbraw/zinc/52/27/93/522522793.db2.gz ZZJKAOFJLXDSJU-NSHDSACASA-N 0 0 279.311 2.771 20 70 CFIDRN CCc1ncc(NC(=O)N2CCC3(CCCC3)C2)cn1 ZINC000161146673 522566305 /nfs/dbraw/zinc/56/63/05/522566305.db2.gz OLQPUNGQQDMOPW-UHFFFAOYSA-N 0 0 274.368 2.837 20 70 CFIDRN CCc1ncnc(NC[C@H]2Cc3ccccc32)c1F ZINC000217983042 522611193 /nfs/dbraw/zinc/61/11/93/522611193.db2.gz PFRKTZVUYQLZLS-LLVKDONJSA-N 0 0 257.312 2.930 20 70 CFIDRN CC[C@H](N[C@@H](c1ccco1)c1ccccc1)C(=O)OC ZINC000159512859 522709940 /nfs/dbraw/zinc/70/99/40/522709940.db2.gz HEAFQYCLYDXBSN-DZGCQCFKSA-N 0 0 273.332 2.910 20 70 CFIDRN COc1cc(NCC(=O)NC2CCCCC2)ccc1F ZINC000160292861 522739588 /nfs/dbraw/zinc/73/95/88/522739588.db2.gz NPJMXBQSOGIAAB-UHFFFAOYSA-N 0 0 280.343 2.695 20 70 CFIDRN CC[C@@H](O)CCNC(=O)N[C@@H](C)CCCC(C)C ZINC000160651451 522982263 /nfs/dbraw/zinc/98/22/63/522982263.db2.gz HKHUDJYPIVZCTQ-QWHCGFSZSA-N 0 0 258.406 2.661 20 70 CFIDRN CC[C@@H](O)CCNC(=O)N[C@H](C)CCCC(C)C ZINC000160651658 522982824 /nfs/dbraw/zinc/98/28/24/522982824.db2.gz HKHUDJYPIVZCTQ-CHWSQXEVSA-N 0 0 258.406 2.661 20 70 CFIDRN COCCCCCNC(=O)Nc1ccn(CCC(C)C)n1 ZINC000161481016 523127743 /nfs/dbraw/zinc/12/77/43/523127743.db2.gz DPMBYFIWRIELCP-UHFFFAOYSA-N 0 0 296.415 2.867 20 70 CFIDRN CC[C@@H]1CCC[C@H]1NC(=O)Cn1ccc(=O)c2ccccc21 ZINC000159673742 523310440 /nfs/dbraw/zinc/31/04/40/523310440.db2.gz ATVWJWBHIADCGL-UKRRQHHQSA-N 0 0 298.386 2.696 20 70 CFIDRN CN(Cc1cccn1C)C(=O)Cc1cc(F)ccc1F ZINC000160734081 523402356 /nfs/dbraw/zinc/40/23/56/523402356.db2.gz NZLJAJAHDDNVGR-UHFFFAOYSA-N 0 0 278.302 2.504 20 70 CFIDRN CN(Cc1cccn1C)C(=O)c1ccc2[nH]ccc2c1 ZINC000160900118 523407500 /nfs/dbraw/zinc/40/75/00/523407500.db2.gz PJZKAWPIMTUMRC-UHFFFAOYSA-N 0 0 267.332 2.779 20 70 CFIDRN COc1ccc(C(=O)N(C)Cc2ccco2)c(F)c1 ZINC000218438048 523604634 /nfs/dbraw/zinc/60/46/34/523604634.db2.gz YWWNSXZLDBLKRM-UHFFFAOYSA-N 0 0 263.268 2.700 20 70 CFIDRN CC[C@H](C(=O)N(C)CCCOC)c1ccc(F)cc1 ZINC000159412659 523751609 /nfs/dbraw/zinc/75/16/09/523751609.db2.gz YJVGMCMGDWOVFO-AWEZNQCLSA-N 0 0 267.344 2.814 20 70 CFIDRN CN(C(=O)NCC1(C)CCC1)[C@H]1CCCc2c1cnn2C ZINC000159488180 523866782 /nfs/dbraw/zinc/86/67/82/523866782.db2.gz CMBGQQLRCFEZAB-ZDUSSCGKSA-N 0 0 290.411 2.629 20 70 CFIDRN CCc1ccc(/C=C/C(=O)N2CCC(n3cccn3)CC2)o1 ZINC000161387211 523870539 /nfs/dbraw/zinc/87/05/39/523870539.db2.gz ZNCWEPQPEUOSTB-VOTSOKGWSA-N 0 0 299.374 2.915 20 70 CFIDRN CCc1ccc(CNc2nccn3c(C)nnc23)s1 ZINC000218048908 523948437 /nfs/dbraw/zinc/94/84/37/523948437.db2.gz KECDREXBJDSFMZ-UHFFFAOYSA-N 0 0 273.365 2.669 20 70 CFIDRN CCc1ccc(NCc2nnc3n2CCCC3)cc1 ZINC000217317713 523994233 /nfs/dbraw/zinc/99/42/33/523994233.db2.gz LLZFZWKUBWWBSJ-UHFFFAOYSA-N 0 0 256.353 2.789 20 70 CFIDRN CCc1ccc([C@@H](NC(=O)COCCOC)C(C)C)cc1 ZINC000218629751 524033126 /nfs/dbraw/zinc/03/31/26/524033126.db2.gz AQDHHXWJFTWCSV-KRWDZBQOSA-N 0 0 293.407 2.725 20 70 CFIDRN Cc1ccc(C)c(CC(=O)N(C)Cc2cccn2C)c1 ZINC000160484968 524090260 /nfs/dbraw/zinc/09/02/60/524090260.db2.gz OKZLZOVXDGNVGA-UHFFFAOYSA-N 0 0 270.376 2.843 20 70 CFIDRN C[C@@H]1CCCC[C@H]1OCC(=O)N(C)Cc1cccn1C ZINC000160817397 524172261 /nfs/dbraw/zinc/17/22/61/524172261.db2.gz WOADEMBJTVEJDF-UKRRQHHQSA-N 0 0 278.396 2.579 20 70 CFIDRN COc1ccc(F)cc1C(=O)NCCc1cccc(O)c1 ZINC000160217342 524300813 /nfs/dbraw/zinc/30/08/13/524300813.db2.gz UYEIHTZIUYXTKN-UHFFFAOYSA-N 0 0 289.306 2.512 20 70 CFIDRN Cc1ccc(CNC(=O)c2cccc(C)c2F)cn1 ZINC000161462624 524562076 /nfs/dbraw/zinc/56/20/76/524562076.db2.gz RLCFXJUKAURZDK-UHFFFAOYSA-N 0 0 258.296 2.768 20 70 CFIDRN Cc1ccc(CSCC(=O)N2CCC(C)(O)CC2)cc1 ZINC000161260336 524641047 /nfs/dbraw/zinc/64/10/47/524641047.db2.gz SLDAIEMAPQMNEB-UHFFFAOYSA-N 0 0 293.432 2.602 20 70 CFIDRN Cc1cccc(O[C@@H](C)C(=O)N(C)Cc2cccn2C)c1 ZINC000160677553 524770436 /nfs/dbraw/zinc/77/04/36/524770436.db2.gz REQGWZMSVHSVQT-AWEZNQCLSA-N 0 0 286.375 2.759 20 70 CFIDRN 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Cc1ccc(-c2nc(NC(=O)c3occc3C)n[nH]2)o1 ZINC000160399004 525851760 /nfs/dbraw/zinc/85/17/60/525851760.db2.gz SVIFGPFOBXFWGR-UHFFFAOYSA-N 0 0 272.264 2.527 20 70 CFIDRN Cc1ccc(-c2nc(NC(=O)c3oc(C)cc3C)n[nH]2)o1 ZINC000160259979 525852907 /nfs/dbraw/zinc/85/29/07/525852907.db2.gz DHTNPCVGWARIBH-UHFFFAOYSA-N 0 0 286.291 2.835 20 70 CFIDRN CS[C@H](CO)[C@@H](C)NC(=O)N[C@@H](C)CCCC(C)C ZINC000160856731 525890538 /nfs/dbraw/zinc/89/05/38/525890538.db2.gz DMDHMMZWOLMUQX-YNEHKIRRSA-N 0 0 290.473 2.613 20 70 CFIDRN CS[C@H](CO)[C@H](C)NC(=O)N[C@H](C)CCCC(C)C ZINC000160856326 525893568 /nfs/dbraw/zinc/89/35/68/525893568.db2.gz DMDHMMZWOLMUQX-FRRDWIJNSA-N 0 0 290.473 2.613 20 70 CFIDRN CS[C@H]1CCC[C@H](Nc2nccn3c(C)nnc23)C1 ZINC000218055668 525911081 /nfs/dbraw/zinc/91/10/81/525911081.db2.gz CYUJDRWFAVSQDE-QWRGUYRKSA-N 0 0 277.397 2.519 20 70 CFIDRN C[C@H](C(=O)N(C)Cc1cccn1C)c1cccs1 ZINC000161003639 525942013 /nfs/dbraw/zinc/94/20/13/525942013.db2.gz PYLADGVAYRMGRU-NSHDSACASA-N 0 0 262.378 2.849 20 70 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C[C@]1(NC(=O)Nc2cccc(Cl)c2F)CCOC1 ZINC000159659816 378723501 /nfs/dbraw/zinc/72/35/01/378723501.db2.gz QJKYASRORNTIOQ-LBPRGKRZSA-N 0 0 272.707 2.780 20 70 CFIDRN O=C(NCC1(C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000159694652 378724778 /nfs/dbraw/zinc/72/47/78/378724778.db2.gz MCGOTTFLDUNGGN-UHFFFAOYSA-N 0 0 251.276 2.885 20 70 CFIDRN CCc1ccc(OC(=O)c2n[nH]c3c2CCC3)c(OC)c1 ZINC000159719282 378726214 /nfs/dbraw/zinc/72/62/14/378726214.db2.gz QFUFMAZWKUUZNR-UHFFFAOYSA-N 0 0 286.331 2.689 20 70 CFIDRN COc1cccc(CCC(=O)NCC2(C3CC3)CC2)c1 ZINC000160199915 378756382 /nfs/dbraw/zinc/75/63/82/378756382.db2.gz HQSKMXVWGGJLHG-UHFFFAOYSA-N 0 0 273.376 2.934 20 70 CFIDRN CC1=C(C(=O)NCCSc2ccccc2)CCCO1 ZINC000159729927 378727632 /nfs/dbraw/zinc/72/76/32/378727632.db2.gz GCCWIUOPLMGNIP-UHFFFAOYSA-N 0 0 277.389 2.979 20 70 CFIDRN C[C@@H]1CN(C(=O)c2cc(F)cc3cccnc32)[C@H](C)CO1 ZINC000159750790 378727755 /nfs/dbraw/zinc/72/77/55/378727755.db2.gz VDRPBJZXSAOGGM-GHMZBOCLSA-N 0 0 288.322 2.623 20 70 CFIDRN Cc1ccccc1[C@@H](NC(=O)N[C@@H](C)CCO)C(C)C ZINC000159769561 378728664 /nfs/dbraw/zinc/72/86/64/378728664.db2.gz SIKGGPMWUSBQAI-ZFWWWQNUSA-N 0 0 278.396 2.762 20 70 CFIDRN C[C@H]1CN(C(=O)c2cc(F)cc3cccnc32)[C@@H](C)CO1 ZINC000159751161 378728832 /nfs/dbraw/zinc/72/88/32/378728832.db2.gz VDRPBJZXSAOGGM-QWRGUYRKSA-N 0 0 288.322 2.623 20 70 CFIDRN CCO[C@@H]1C[C@H](NC(=O)c2ccnn2C(C)C)C12CCC2 ZINC000159755849 378728956 /nfs/dbraw/zinc/72/89/56/378728956.db2.gz RPMYDLQWIDSIQO-UONOGXRCSA-N 0 0 291.395 2.542 20 70 CFIDRN COc1ccc(N(C)C(=O)c2c(C)noc2C)cc1F ZINC000159766478 378729268 /nfs/dbraw/zinc/72/92/68/378729268.db2.gz ITGWDEYLLFTUMD-UHFFFAOYSA-N 0 0 278.283 2.716 20 70 CFIDRN CCCCN(CCCC)C(=O)COc1cc(C)n(C)n1 ZINC000159755318 378729282 /nfs/dbraw/zinc/72/92/82/378729282.db2.gz BIBMUNNBBHFWLI-UHFFFAOYSA-N 0 0 281.400 2.536 20 70 CFIDRN Cc1cc(OCC(=O)Nc2c(C)cccc2Cl)nn1C ZINC000159770581 378729406 /nfs/dbraw/zinc/72/94/06/378729406.db2.gz FWFDRNKZYBGFKK-UHFFFAOYSA-N 0 0 293.754 2.708 20 70 CFIDRN 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CFIDRN CC[C@@H](NC(=O)[C@@H](C)CSC)c1c(C)noc1C ZINC000160307466 378762232 /nfs/dbraw/zinc/76/22/32/378762232.db2.gz WRVOLMTWOYOISN-GZMMTYOYSA-N 0 0 270.398 2.858 20 70 CFIDRN CC(C)(C)c1nsc(N2CCCC[C@H]2c2nc[nH]n2)n1 ZINC000160296727 378762439 /nfs/dbraw/zinc/76/24/39/378762439.db2.gz WKSUOTGTTWTLGP-VIFPVBQESA-N 0 0 292.412 2.685 20 70 CFIDRN Cc1cc([C@@H](C)NC(=O)N2CCC[C@@](C)(O)C2)c(C)s1 ZINC000160331588 378763245 /nfs/dbraw/zinc/76/32/45/378763245.db2.gz QBPDCSPZMGDCON-IAQYHMDHSA-N 0 0 296.436 2.982 20 70 CFIDRN CC(C)COc1cncc(N[C@H]2CCO[C@H](C3CC3)C2)n1 ZINC000160333086 378763953 /nfs/dbraw/zinc/76/39/53/378763953.db2.gz CETQLPKKVCUGMJ-KBPBESRZSA-N 0 0 291.395 2.881 20 70 CFIDRN CC[C@H](NC(=O)CC1CCOCC1)c1c(C)noc1C ZINC000160311026 378764114 /nfs/dbraw/zinc/76/41/14/378764114.db2.gz ONCKOUAZWOZDIL-ZDUSSCGKSA-N 0 0 280.368 2.675 20 70 CFIDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H]1CCCCO1 ZINC000160323743 378764178 /nfs/dbraw/zinc/76/41/78/378764178.db2.gz OHBOPWTVHAZMSN-RISCZKNCSA-N 0 0 265.328 2.914 20 70 CFIDRN Cc1cc(Cl)ccc1C(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000160351501 378765156 /nfs/dbraw/zinc/76/51/56/378765156.db2.gz HMWUXOIIDRTXNY-QWRGUYRKSA-N 0 0 267.756 2.803 20 70 CFIDRN O=C(NCC1(CO)CCCC1)Nc1ccc(F)cc1F ZINC000160338424 378765168 /nfs/dbraw/zinc/76/51/68/378765168.db2.gz LKOHRYVUTVWHPJ-UHFFFAOYSA-N 0 0 284.306 2.639 20 70 CFIDRN O=C(Nc1ccncc1)c1csc([C@H]2CCCO2)n1 ZINC000160347800 378765464 /nfs/dbraw/zinc/76/54/64/378765464.db2.gz CVKULOJSHDLQHG-LLVKDONJSA-N 0 0 275.333 2.642 20 70 CFIDRN C[C@@H]1CC[C@H](CCC(=O)N(C)c2ccc3c(c2)OCO3)O1 ZINC000160373628 378766299 /nfs/dbraw/zinc/76/62/99/378766299.db2.gz BHSIBGCARJBAAF-DGCLKSJQSA-N 0 0 291.347 2.726 20 70 CFIDRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H]1CCCCO1 ZINC000160359235 378766932 /nfs/dbraw/zinc/76/69/32/378766932.db2.gz DVBBBMDLPGHUGG-OAHLLOKOSA-N 0 0 299.374 2.997 20 70 CFIDRN CCc1ccc(/C=C/C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)o1 ZINC000160397733 378769098 /nfs/dbraw/zinc/76/90/98/378769098.db2.gz QWIBUIJQTPLKQC-IIUITYHTSA-N 0 0 289.375 2.785 20 70 CFIDRN c1ccc2[nH]c(N[C@@H]3CCO[C@H](C4CC4)C3)nc2c1 ZINC000160397281 378769151 /nfs/dbraw/zinc/76/91/51/378769151.db2.gz WOWSMURIMUPWTA-RISCZKNCSA-N 0 0 257.337 2.932 20 70 CFIDRN C[C@@H](CO)[C@H](C)NC(=O)c1cc2c(s1)CCCCC2 ZINC000160412913 378769858 /nfs/dbraw/zinc/76/98/58/378769858.db2.gz CFJUOAITUOQVEA-QWRGUYRKSA-N 0 0 281.421 2.764 20 70 CFIDRN COCCn1cc(NCc2c(C)cccc2C)cn1 ZINC000160419628 378770209 /nfs/dbraw/zinc/77/02/09/378770209.db2.gz ZOIRABSJYWWLTD-UHFFFAOYSA-N 0 0 259.353 2.758 20 70 CFIDRN CC[C@@H](NC(=O)CCSC)c1c(C)noc1C ZINC000160433055 378771933 /nfs/dbraw/zinc/77/19/33/378771933.db2.gz PUJNETBMZGQIMP-SNVBAGLBSA-N 0 0 256.371 2.612 20 70 CFIDRN CCOC(=O)[C@@H](CC)SCc1ncc(Cl)n1C ZINC000160442822 378772193 /nfs/dbraw/zinc/77/21/93/378772193.db2.gz QRYYWAIWZPIAOO-MRVPVSSYSA-N 0 0 276.789 2.648 20 70 CFIDRN O=C(N[C@@H](c1ccccc1)C1CC1)[C@@H]1CCCCO1 ZINC000160429638 378772373 /nfs/dbraw/zinc/77/23/73/378772373.db2.gz AQNFKLAXNGVHDS-GJZGRUSLSA-N 0 0 259.349 2.823 20 70 CFIDRN CC[C@@H](C)NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160424169 378772534 /nfs/dbraw/zinc/77/25/34/378772534.db2.gz KPNLBAOHOUCUDY-BXUZGUMPSA-N 0 0 278.352 2.774 20 70 CFIDRN CC[C@@H](C)CS(=O)(=O)Oc1cc(C)ccc1NC(C)=O ZINC000160489955 378776460 /nfs/dbraw/zinc/77/64/60/378776460.db2.gz YFIJSOXUNNUMFU-SNVBAGLBSA-N 0 0 299.392 2.708 20 70 CFIDRN Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc(C)c1F ZINC000160489584 378776647 /nfs/dbraw/zinc/77/66/47/378776647.db2.gz FOHFQIGZLAXCSU-TXEJJXNPSA-N 0 0 265.328 2.692 20 70 CFIDRN CCNc1nc(C(=O)NC[C@@]2(C)CCCS2)cs1 ZINC000160510163 378777378 /nfs/dbraw/zinc/77/73/78/378777378.db2.gz WRZMZJNEXAKFBU-GFCCVEGCSA-N 0 0 285.438 2.590 20 70 CFIDRN CCCOc1cccc(CC(=O)N[C@H](CO)CC(C)C)c1 ZINC000160795304 378800393 /nfs/dbraw/zinc/80/03/93/378800393.db2.gz ZVYCKEBZAJHRNF-HNNXBMFYSA-N 0 0 293.407 2.541 20 70 CFIDRN CC[C@H](C)CS(=O)(=O)Oc1ccc(C(C)=O)c(F)c1 ZINC000160520307 378779160 /nfs/dbraw/zinc/77/91/60/378779160.db2.gz OFPXDXPMGKWNCW-VIFPVBQESA-N 0 0 288.340 2.783 20 70 CFIDRN CCN(CCCO)C(=O)c1cccc(C(F)(F)F)c1F ZINC000160553995 378780666 /nfs/dbraw/zinc/78/06/66/378780666.db2.gz WORNPDHFCWXKCH-UHFFFAOYSA-N 0 0 293.260 2.689 20 70 CFIDRN CC[C@@H](NC(=O)[C@@H](C)C1CCOCC1)c1c(C)noc1C ZINC000160578140 378783274 /nfs/dbraw/zinc/78/32/74/378783274.db2.gz CHTNXYMWRHIKRI-IINYFYTJSA-N 0 0 294.395 2.921 20 70 CFIDRN C[C@H]1CCCCN1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160581410 378783878 /nfs/dbraw/zinc/78/38/78/378783878.db2.gz QJMNDPXLJAMKHB-LBPRGKRZSA-N 0 0 299.378 2.888 20 70 CFIDRN CCC(CC)CNC(=O)N(CCOC)Cc1ccco1 ZINC000160602279 378784507 /nfs/dbraw/zinc/78/45/07/378784507.db2.gz NBEOTHDKKXAMHN-UHFFFAOYSA-N 0 0 282.384 2.874 20 70 CFIDRN Cc1cc(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc(Cl)n1 ZINC000160580535 378784862 /nfs/dbraw/zinc/78/48/62/378784862.db2.gz JSPMWDUOKIMJJX-STQMWFEESA-N 0 0 294.782 2.731 20 70 CFIDRN CSC[C@H](C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160627641 378786609 /nfs/dbraw/zinc/78/66/09/378786609.db2.gz ZERPNEKQVYZGQT-QWHCGFSZSA-N 0 0 285.453 2.984 20 70 CFIDRN CC[C@@H](NC(=O)[C@H](C)C1CC1)c1c(C)noc1C ZINC000160614736 378786689 /nfs/dbraw/zinc/78/66/89/378786689.db2.gz GLEWRZPELKVBEJ-PRHODGIISA-N 0 0 250.342 2.905 20 70 CFIDRN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)Nc1cccnc1 ZINC000160814810 378800933 /nfs/dbraw/zinc/80/09/33/378800933.db2.gz YFFOFZZJQDTDQQ-CMPLNLGQSA-N 0 0 291.376 2.777 20 70 CFIDRN C[C@@H]1CCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160662116 378789897 /nfs/dbraw/zinc/78/98/97/378789897.db2.gz QUHYRPCOGYKCHO-SECBINFHSA-N 0 0 290.289 2.709 20 70 CFIDRN CC(C)[C@@H](CCO)NC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000160721828 378793127 /nfs/dbraw/zinc/79/31/27/378793127.db2.gz MUBMMTRJPUZBKQ-CZUORRHYSA-N 0 0 295.398 2.918 20 70 CFIDRN CCCc1nc(Cn2cnc(C(C)C)cc2=O)cs1 ZINC000160720680 378793903 /nfs/dbraw/zinc/79/39/03/378793903.db2.gz ZADGVFZABQUHJX-UHFFFAOYSA-N 0 0 277.393 2.824 20 70 CFIDRN O=C(NOCc1cccnc1)C1C2CC3CC(C2)CC1C3 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348019188 /nfs/dbraw/zinc/01/91/88/348019188.db2.gz XNYWCTIOWSSMTI-OCCSQVGLSA-N 0 0 289.375 2.564 20 70 CFIDRN CCOC(=O)C1(C(=O)N(C)c2ccc(F)c(F)c2)CCC1 ZINC000160745413 348020665 /nfs/dbraw/zinc/02/06/65/348020665.db2.gz IHBQDPMBVWQPKK-UHFFFAOYSA-N 0 0 297.301 2.661 20 70 CFIDRN COC(=O)c1ccc(NC(=O)N[C@@H](C)C2CCC2)cc1 ZINC000160869193 348021408 /nfs/dbraw/zinc/02/14/08/348021408.db2.gz LFCGAGOTMNIWDD-JTQLQIEISA-N 0 0 276.336 2.783 20 70 CFIDRN COC(=O)c1csc(NC(=O)N2CCCC[C@H]2C)c1 ZINC000161041218 348023331 /nfs/dbraw/zinc/02/33/31/348023331.db2.gz BQSWOOWUHFZSCX-SECBINFHSA-N 0 0 282.365 2.941 20 70 CFIDRN c1ccc(CNC2(c3noc(C4CC4)n3)CCCC2)nc1 ZINC000161381720 348024087 /nfs/dbraw/zinc/02/40/87/348024087.db2.gz WTEQSSLZKLSYPX-UHFFFAOYSA-N 0 0 284.363 2.901 20 70 CFIDRN O=C(N[C@@H]1CCSc2ccccc21)[C@H]1CCCCO1 ZINC000160127562 295781448 /nfs/dbraw/zinc/78/14/48/295781448.db2.gz BJMDDVLGGICMBS-CHWSQXEVSA-N 0 0 277.389 2.909 20 70 CFIDRN O=C(NC1CC=CC1)[C@H]1SCCc2sccc21 ZINC000160766312 539828603 /nfs/dbraw/zinc/82/86/03/539828603.db2.gz OMJWODIWJYVIGK-LBPRGKRZSA-N 0 0 265.403 2.913 20 70 CFIDRN CCOCCOc1ccccc1C(=O)NC1CC=CC1 ZINC000160779553 539828608 /nfs/dbraw/zinc/82/86/08/539828608.db2.gz HVFPOSPCGYXRSV-UHFFFAOYSA-N 0 0 275.348 2.550 20 70 CFIDRN COc1ccc(O)c(NC(=O)C[C@@H](C)c2ccncc2)c1 ZINC000160706484 539828297 /nfs/dbraw/zinc/82/82/97/539828297.db2.gz RTTXNYPQPBLSCX-LLVKDONJSA-N 0 0 286.331 2.928 20 70 CFIDRN CC(C)n1nccc1C(=O)Nc1ncc(Cl)s1 ZINC000161248698 539830357 /nfs/dbraw/zinc/83/03/57/539830357.db2.gz XTWQFAPPRIBPCQ-UHFFFAOYSA-N 0 0 270.745 2.826 20 70 CFIDRN CS(=O)(=O)CCCCN1CCC[C@@H]1c1ccsc1 ZINC000161454783 539831517 /nfs/dbraw/zinc/83/15/17/539831517.db2.gz QXVRLTOQLAMUOU-CYBMUJFWSA-N 0 0 287.450 2.710 20 70 CFIDRN CS[C@@H](C)C(=O)NCCOc1ccccc1Cl ZINC000159397650 188423504 /nfs/dbraw/zinc/42/35/04/188423504.db2.gz LVIHLNUUUGVIIQ-VIFPVBQESA-N 0 0 273.785 2.587 20 70 CFIDRN CCN(C(=O)[C@@H]1CCC(=O)C[C@@H]1C)[C@@H](C)c1cccnc1 ZINC000159938358 188448612 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/nfs/dbraw/zinc/44/52/18/188445218.db2.gz MPDOFHCZPDXKEW-VIFPVBQESA-N 0 0 296.392 2.734 20 70 CFIDRN COCCCC(=O)N[C@H]1CCCc2sccc21 ZINC000159900207 188446442 /nfs/dbraw/zinc/44/64/42/188446442.db2.gz OYMGFHUNILOLMV-NSHDSACASA-N 0 0 253.367 2.668 20 70 CFIDRN O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc(Cl)nc1 ZINC000159921082 188447410 /nfs/dbraw/zinc/44/74/10/188447410.db2.gz HUWPTAFDOQGHNK-GFCCVEGCSA-N 0 0 294.782 2.957 20 70 CFIDRN CC[C@@H](SC)C(=O)N(C)c1ccc2c(c1)OCO2 ZINC000160094978 188455017 /nfs/dbraw/zinc/45/50/17/188455017.db2.gz BWJNMDHKNSDKTJ-GFCCVEGCSA-N 0 0 267.350 2.520 20 70 CFIDRN Cc1ncsc1C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000160240689 188461189 /nfs/dbraw/zinc/46/11/89/188461189.db2.gz QHUPHWROVMNUHX-UHFFFAOYSA-N 0 0 274.349 2.680 20 70 CFIDRN CC(C)(C)c1nsc(NCCc2ccc[nH]2)n1 ZINC000160254356 188461713 /nfs/dbraw/zinc/46/17/13/188461713.db2.gz GHVMVECADVQMHJ-UHFFFAOYSA-N 0 0 250.371 2.818 20 70 CFIDRN CCC(C)(C)NC(=O)[C@H](C)Nc1ccc(F)c(OC)c1 ZINC000160296407 188464676 /nfs/dbraw/zinc/46/46/76/188464676.db2.gz SJCQBGMHPRYJDS-JTQLQIEISA-N 0 0 282.359 2.940 20 70 CFIDRN CCSCC[C@H](C)Nc1nccn2nc(C)cc12 ZINC000160318871 188465755 /nfs/dbraw/zinc/46/57/55/188465755.db2.gz IUMTYTXUHKWAMC-JTQLQIEISA-N 0 0 264.398 2.981 20 70 CFIDRN Cc1nc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc(C2CC2)n1 ZINC000160328413 188466461 /nfs/dbraw/zinc/46/64/61/188466461.db2.gz DJHFPJSZORRCHA-VXGBXAGGSA-N 0 0 257.337 2.647 20 70 CFIDRN C[C@@H](NC(=O)[C@H]1CCCCO1)c1ccc(F)cc1F ZINC000159974245 188449205 /nfs/dbraw/zinc/44/92/05/188449205.db2.gz XDNBERMKGCZURW-NOZJJQNGSA-N 0 0 269.291 2.711 20 70 CFIDRN O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCC1 ZINC000160462035 188474909 /nfs/dbraw/zinc/47/49/09/188474909.db2.gz FVMQNVHXCABFJX-HUUCEWRRSA-N 0 0 258.365 2.813 20 70 CFIDRN CCNc1nc(C(=O)NC[C@]2(C)CCCS2)cs1 ZINC000160510008 188477422 /nfs/dbraw/zinc/47/74/22/188477422.db2.gz WRZMZJNEXAKFBU-LBPRGKRZSA-N 0 0 285.438 2.590 20 70 CFIDRN CC(C)c1cc(C(=O)N(C)c2ccc3c(c2)OCO3)n[nH]1 ZINC000160529658 188478091 /nfs/dbraw/zinc/47/80/91/188478091.db2.gz CUBXIUQQMBXNKH-UHFFFAOYSA-N 0 0 287.319 2.538 20 70 CFIDRN COCCC1(C(=O)N(C)c2ccc3c(c2)OCO3)CCC1 ZINC000160522389 188478234 /nfs/dbraw/zinc/47/82/34/188478234.db2.gz RSYJLAOUWJEKQD-UHFFFAOYSA-N 0 0 291.347 2.585 20 70 CFIDRN COc1cc(F)ccc1NC(=O)N(C)[C@H]1CCSC1 ZINC000160539418 188479255 /nfs/dbraw/zinc/47/92/55/188479255.db2.gz PRMXBLFQGITZTC-JTQLQIEISA-N 0 0 284.356 2.804 20 70 CFIDRN CC(C)c1cc(=O)n(CCCOc2ccc(F)cc2)cn1 ZINC000160644393 188484740 /nfs/dbraw/zinc/48/47/40/188484740.db2.gz VCHSTZKQWNGQOI-UHFFFAOYSA-N 0 0 290.338 2.975 20 70 CFIDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC(F)(F)F ZINC000160677462 188485778 /nfs/dbraw/zinc/48/57/78/188485778.db2.gz POIHUTGCIOORFU-HTQZYQBOSA-N 0 0 263.284 2.839 20 70 CFIDRN C[C@H](CC1CC1)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160696274 188486728 /nfs/dbraw/zinc/48/67/28/188486728.db2.gz XTHZJJCHRKZZFL-MRVPVSSYSA-N 0 0 290.289 2.756 20 70 CFIDRN CC(C)[C@@H](CCO)NC(=O)c1ccccc1C(F)(F)F ZINC000160764050 188489253 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541421289 /nfs/dbraw/zinc/42/12/89/541421289.db2.gz LCUJZGJFCAJNRU-JTQLQIEISA-N 0 0 275.377 2.657 20 70 CFIDRN CCN(CCCO)C(=O)CCc1ccc(C)c(Cl)c1 ZINC000160563353 541433129 /nfs/dbraw/zinc/43/31/29/541433129.db2.gz PDCGOTNAHCOPEQ-UHFFFAOYSA-N 0 0 283.799 2.812 20 70 CFIDRN CNC(=O)Cc1ccc(NCc2cc(F)cc(F)c2)cc1 ZINC000160577911 541433169 /nfs/dbraw/zinc/43/31/69/541433169.db2.gz ZQHVESSHBPNPQN-UHFFFAOYSA-N 0 0 290.313 2.865 20 70 CFIDRN Cc1cnc(CNC(=O)C[C@@H](C)c2ccncc2)s1 ZINC000160732370 541456730 /nfs/dbraw/zinc/45/67/30/541456730.db2.gz MLEUTHKUYBLKEW-SNVBAGLBSA-N 0 0 275.377 2.657 20 70 CFIDRN COc1ccc(CNC(=O)c2cc(F)c(C)cc2F)cn1 ZINC000160808135 541479660 /nfs/dbraw/zinc/47/96/60/541479660.db2.gz LAYHIRAGNDJBAY-UHFFFAOYSA-N 0 0 292.285 2.607 20 70 CFIDRN COC[C@H]1CCCN1C(=O)CCc1ccc(F)cc1F ZINC000160892531 541492086 /nfs/dbraw/zinc/49/20/86/541492086.db2.gz SZKSLFLSLAENAN-CYBMUJFWSA-N 0 0 283.318 2.535 20 70 CFIDRN CO[C@]1(C)C[C@@H](NC(=O)C[C@H](C)c2ccncc2)C1(C)C ZINC000160953192 541504974 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291493810 /nfs/dbraw/zinc/49/38/10/291493810.db2.gz ZFWJYGMTXBRTGY-UHFFFAOYSA-N 0 0 291.395 2.558 20 70 CFIDRN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000160222672 296265660 /nfs/dbraw/zinc/26/56/60/296265660.db2.gz UTGWYILKPCXGPM-KWCYVHTRSA-N 0 0 275.348 2.948 20 70 CFIDRN CCCN(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159904175 378736664 /nfs/dbraw/zinc/73/66/64/378736664.db2.gz CHERWLBMVPFNNH-ZBFHGGJFSA-N 0 0 289.423 2.701 20 70 CFIDRN COCCOc1cccc(C(=O)NCC2(C3CC3)CC2)c1 ZINC000159930156 378738682 /nfs/dbraw/zinc/73/86/82/378738682.db2.gz RBMALJJMSOCNBL-UHFFFAOYSA-N 0 0 289.375 2.632 20 70 CFIDRN CCC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(F)c(OC)c1 ZINC000160241856 378757320 /nfs/dbraw/zinc/75/73/20/378757320.db2.gz VMNOLZWOBBXOGD-WDEREUQCSA-N 0 0 282.359 2.940 20 70 CFIDRN C[C@H](NC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1F ZINC000159973890 378739946 /nfs/dbraw/zinc/73/99/46/378739946.db2.gz XDNBERMKGCZURW-ZANVPECISA-N 0 0 269.291 2.711 20 70 CFIDRN COc1ccc(C)nc1NC(=O)C[C@@H]1CSCCS1 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CFIDRN C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000160222889 378758296 /nfs/dbraw/zinc/75/82/96/378758296.db2.gz UTGWYILKPCXGPM-MRVWCRGKSA-N 0 0 275.348 2.948 20 70 CFIDRN CN(Cc1nc(C(F)(F)F)cs1)C[C@@H]1CCC[C@@H]1O ZINC000159821355 378731830 /nfs/dbraw/zinc/73/18/30/378731830.db2.gz VNCPXZLRCORYQX-IUCAKERBSA-N 0 0 294.342 2.755 20 70 CFIDRN CC(C)C[C@H](C)NC(=O)NCc1nccn1C(F)F ZINC000159809265 378732444 /nfs/dbraw/zinc/73/24/44/378732444.db2.gz NTBZKPKASIPQNW-VIFPVBQESA-N 0 0 274.315 2.512 20 70 CFIDRN Brc1cnc(N[C@@H]2CCO[C@H](C3CC3)C2)nc1 ZINC000160268363 378760762 /nfs/dbraw/zinc/76/07/62/378760762.db2.gz ZCFPVBCAWHLQTH-MNOVXSKESA-N 0 0 298.184 2.609 20 70 CFIDRN COCCN(Cc1ccc(C)o1)C(=O)NCc1ccco1 ZINC000160264275 378760899 /nfs/dbraw/zinc/76/08/99/378760899.db2.gz LMRNJTCEPSNFET-UHFFFAOYSA-N 0 0 292.335 2.539 20 70 CFIDRN CC(C)(C)c1nsc(N2CCCC[C@@H]2c2nc[nH]n2)n1 ZINC000160296595 378762513 /nfs/dbraw/zinc/76/25/13/378762513.db2.gz WKSUOTGTTWTLGP-SECBINFHSA-N 0 0 292.412 2.685 20 70 CFIDRN COCCCC(=O)O[C@H](c1ccccn1)C(F)(F)F ZINC000160341818 378765249 /nfs/dbraw/zinc/76/52/49/378765249.db2.gz GAVPJVDLILHBLV-LLVKDONJSA-N 0 0 277.242 2.655 20 70 CFIDRN C[C@@H](NC(=O)N[C@@H](C)CCO)c1ccc(F)cc1Cl ZINC000160379932 378766111 /nfs/dbraw/zinc/76/61/11/378766111.db2.gz RXRDVPIOVAHQAU-DTWKUNHWSA-N 0 0 288.750 2.610 20 70 CFIDRN C/C=C(\C)C(=O)Nc1cccnc1SCCC(=O)OC ZINC000160374856 378766510 /nfs/dbraw/zinc/76/65/10/378766510.db2.gz SHPDPUDFIKXMLJ-ONNFQVAWSA-N 0 0 294.376 2.642 20 70 CFIDRN CCCc1ncc(C(=O)NCCCC(C)(C)CO)s1 ZINC000160383159 378768633 /nfs/dbraw/zinc/76/86/33/378768633.db2.gz YOTUJEQRUYPHGS-UHFFFAOYSA-N 0 0 284.425 2.624 20 70 CFIDRN CC(C)c1noc(N[C@H]2CCO[C@H](C3CC3)C2)n1 ZINC000160415121 378770048 /nfs/dbraw/zinc/77/00/48/378770048.db2.gz PXCXDIHOURTYSF-QWRGUYRKSA-N 0 0 251.330 2.563 20 70 CFIDRN CCc1ncnc(N[C@@H]2CCO[C@@H](C3CC3)C2)c1F ZINC000160424223 378771449 /nfs/dbraw/zinc/77/14/49/378771449.db2.gz IYIMAFSEFFVCAS-ZYHUDNBSSA-N 0 0 265.332 2.548 20 70 CFIDRN C[C@H](CO)CNC(=O)CCc1ccc2ccccc2c1 ZINC000160470030 378774189 /nfs/dbraw/zinc/77/41/89/378774189.db2.gz YEPLXRDDKKAHIM-ZDUSSCGKSA-N 0 0 271.360 2.517 20 70 CFIDRN O=C(/C=C/c1ccncn1)N[C@@H]1CCCc2sccc21 ZINC000160470810 378774432 /nfs/dbraw/zinc/77/44/32/378774432.db2.gz QCDYHZQCMVHCFY-MUBLQREKSA-N 0 0 285.372 2.745 20 70 CFIDRN CC[C@H](C(=O)N(C)C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000160794492 378800213 /nfs/dbraw/zinc/80/02/13/378800213.db2.gz VVUIJBYOFHCUSA-WFASDCNBSA-N 0 0 279.355 2.814 20 70 CFIDRN Cc1ccc(CNc2cnccn2)c(OC[C@H]2CCCO2)c1 ZINC000160492293 378775611 /nfs/dbraw/zinc/77/56/11/378775611.db2.gz OYHBZWVKZIUJOY-OAHLLOKOSA-N 0 0 299.374 2.955 20 70 CFIDRN CC(C)Cn1ccnc1NC(=O)c1ccnn1C(C)C ZINC000160481186 378776656 /nfs/dbraw/zinc/77/66/56/378776656.db2.gz SQOLFJUZEYYYPX-UHFFFAOYSA-N 0 0 275.356 2.569 20 70 CFIDRN CCCOc1cccc(NC(=O)N[C@]2(C)CCOC2)c1 ZINC000160510914 378777537 /nfs/dbraw/zinc/77/75/37/378777537.db2.gz XTGJAPXWERTIRG-OAHLLOKOSA-N 0 0 278.352 2.776 20 70 CFIDRN CC1=C(C(=O)N(C)Cc2cccc(N(C)C)c2)CCCO1 ZINC000160537042 378779623 /nfs/dbraw/zinc/77/96/23/378779623.db2.gz SVGPTDWYUCVAGO-UHFFFAOYSA-N 0 0 288.391 2.795 20 70 CFIDRN COC[C@H](NC(=O)NC1(C)CCC1)c1ccccc1 ZINC000160578102 378781865 /nfs/dbraw/zinc/78/18/65/378781865.db2.gz CZCLYLIQDXEOAZ-ZDUSSCGKSA-N 0 0 262.353 2.616 20 70 CFIDRN CC(C)[C@@H](CCO)NC(=O)c1ccc2c(c1)CCCC2 ZINC000160571524 378781876 /nfs/dbraw/zinc/78/18/76/378781876.db2.gz GRZGCFQEOAUSHZ-MRXNPFEDSA-N 0 0 275.392 2.702 20 70 CFIDRN O=C(C[C@@H]1COC(=O)C1)Oc1c(Cl)cccc1Cl ZINC000160565151 378782617 /nfs/dbraw/zinc/78/26/17/378782617.db2.gz AAEIYAQGTNKDTC-SSDOTTSWSA-N 0 0 289.114 2.852 20 70 CFIDRN Cc1cc(C(=O)NCCCC(=O)OC(C)C)cc(Cl)n1 ZINC000160579630 378784267 /nfs/dbraw/zinc/78/42/67/378784267.db2.gz XRPBVSFKMAAULD-UHFFFAOYSA-N 0 0 298.770 2.505 20 70 CFIDRN Cc1ccc(CC(=O)NCCCSCC(C)C)cn1 ZINC000160808290 378800707 /nfs/dbraw/zinc/80/07/07/378800707.db2.gz QJMUSUQBZQDLSA-UHFFFAOYSA-N 0 0 280.437 2.828 20 70 CFIDRN O=C(c1ccc(F)nc1)N1CC=C(C(F)(F)F)CC1 ZINC000160585586 378784851 /nfs/dbraw/zinc/78/48/51/378784851.db2.gz IWPSHWCOMLHDJC-UHFFFAOYSA-N 0 0 274.217 2.555 20 70 CFIDRN CCCC1(CNC(=O)CN(C)C(=O)c2cccs2)CC1 ZINC000160584977 378784965 /nfs/dbraw/zinc/78/49/65/378784965.db2.gz HIOOHOBCTFRSHU-UHFFFAOYSA-N 0 0 294.420 2.517 20 70 CFIDRN COc1cccc(CCCNC(=O)NC2(C)CCC2)c1 ZINC000160599424 378784972 /nfs/dbraw/zinc/78/49/72/378784972.db2.gz UZQHXNGBTYLSFE-UHFFFAOYSA-N 0 0 276.380 2.870 20 70 CFIDRN CCOCCC1(C(=O)NCc2cccc(OC)c2)CCC1 ZINC000160646914 378787529 /nfs/dbraw/zinc/78/75/29/378787529.db2.gz QEJCLGSFFIQSPE-UHFFFAOYSA-N 0 0 291.391 2.908 20 70 CFIDRN CC(C)(C)c1nc(CCNC(=O)c2cc[nH]c2)cs1 ZINC000160662843 378789863 /nfs/dbraw/zinc/78/98/63/378789863.db2.gz JFAZGGGECUNJDT-UHFFFAOYSA-N 0 0 277.393 2.741 20 70 CFIDRN CC(C)C[C@H](CO)NC(=O)[C@H](c1ccccc1)C1CC1 ZINC000160715236 378793349 /nfs/dbraw/zinc/79/33/49/378793349.db2.gz JSJYOUZPXBNTLB-HZPDHXFCSA-N 0 0 275.392 2.703 20 70 CFIDRN CC(C)CSCCCNC(=O)/C=C/c1cccnc1 ZINC000160726170 378793796 /nfs/dbraw/zinc/79/37/96/378793796.db2.gz DLAASTPZJWIKTL-VOTSOKGWSA-N 0 0 278.421 2.990 20 70 CFIDRN C[C@H]1C[C@H](C)CN(C(=O)c2ccnc(Cl)c2F)C1 ZINC000160735912 378794555 /nfs/dbraw/zinc/79/45/55/378794555.db2.gz OTJOFHFAYNAFDX-IUCAKERBSA-N 0 0 270.735 2.992 20 70 CFIDRN O=C(NCc1nccs1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000160739700 378794581 /nfs/dbraw/zinc/79/45/81/378794581.db2.gz NHFHSYANAVSNOM-UWVGGRQHSA-N 0 0 294.326 2.841 20 70 CFIDRN COc1cccc(Cl)c1CC(=O)N1CCO[C@H](C)[C@@H]1C ZINC000160760892 378796832 /nfs/dbraw/zinc/79/68/32/378796832.db2.gz WCGXCRFWFGOBDC-WDEREUQCSA-N 0 0 297.782 2.527 20 70 CFIDRN CN(C)c1ccc(NC(=O)NCCC2=CCCC2)cn1 ZINC000160757978 378796841 /nfs/dbraw/zinc/79/68/41/378796841.db2.gz RIKUMWJWINOXHW-UHFFFAOYSA-N 0 0 274.368 2.770 20 70 CFIDRN O=C([C@H]1C[C@@H]1c1cc(F)ccc1F)N1CCSCC1 ZINC000160816488 378801463 /nfs/dbraw/zinc/80/14/63/378801463.db2.gz GIJHDZKMIFLJLG-PWSUYJOCSA-N 0 0 283.343 2.644 20 70 CFIDRN Cc1c(/C=C/C(=O)Nc2nc(C3CC3)cs2)cnn1C ZINC000160837579 378801534 /nfs/dbraw/zinc/80/15/34/378801534.db2.gz AQDMXUQUPAIILP-AATRIKPKSA-N 0 0 288.376 2.714 20 70 CFIDRN C[C@H]1CN(C(=O)Nc2nnc(C(F)F)s2)CC[C@@H]1C ZINC000160226214 378758376 /nfs/dbraw/zinc/75/83/76/378758376.db2.gz OTKSPZBQBATVLK-BQBZGAKWSA-N 0 0 290.339 2.986 20 70 CFIDRN Cc1cnccc1CCNC(=O)N[C@H](C)c1cccc(O)c1 ZINC000161197816 378829448 /nfs/dbraw/zinc/82/94/48/378829448.db2.gz HVHJZAHYJTVQAC-CYBMUJFWSA-N 0 0 299.374 2.699 20 70 CFIDRN O=C(N[C@H]1CCC[C@@H]1O)C1(c2ccccc2)CCCC1 ZINC000161221511 378831538 /nfs/dbraw/zinc/83/15/38/378831538.db2.gz JFHUQXUGJJGOCQ-GJZGRUSLSA-N 0 0 273.376 2.528 20 70 CFIDRN Cc1ccc2cc(C(=O)NO[C@H]3CCCCO3)ccc2n1 ZINC000161204210 378831571 /nfs/dbraw/zinc/83/15/71/378831571.db2.gz YCJWMYWRNFNGHO-HNNXBMFYSA-N 0 0 286.331 2.731 20 70 CFIDRN CCc1ncc(NC(=O)NCC2(C(C)C)CC2)cn1 ZINC000161211809 378831680 /nfs/dbraw/zinc/83/16/80/378831680.db2.gz OINZLQDJJHTVRE-UHFFFAOYSA-N 0 0 262.357 2.597 20 70 CFIDRN CCCCS[C@@H](C)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000161271292 378836316 /nfs/dbraw/zinc/83/63/16/378836316.db2.gz CPCMAQRTYDVIBF-PWSUYJOCSA-N 0 0 283.441 2.687 20 70 CFIDRN C[C@H](CNC(=O)NC1(C)CCC1)Oc1ccccc1 ZINC000161232264 378832676 /nfs/dbraw/zinc/83/26/76/378832676.db2.gz GBQSDYHHOALFFZ-GFCCVEGCSA-N 0 0 262.353 2.696 20 70 CFIDRN CC1(O)CCN(C(=O)CCSc2ccccc2F)CC1 ZINC000161245323 378832770 /nfs/dbraw/zinc/83/27/70/378832770.db2.gz OIASJQTUEHQYLY-UHFFFAOYSA-N 0 0 297.395 2.681 20 70 CFIDRN O=C(CCc1ccc(F)cc1F)NC[C@H]1CCCCO1 ZINC000161261332 378834535 /nfs/dbraw/zinc/83/45/35/378834535.db2.gz BNAUGNZYGSYUGX-CYBMUJFWSA-N 0 0 283.318 2.583 20 70 CFIDRN Cc1nc(Cl)ccc1C(=O)N[C@@H]1CCCSC1 ZINC000160832899 378801695 /nfs/dbraw/zinc/80/16/95/378801695.db2.gz WVVWHZIEZBUMNN-SECBINFHSA-N 0 0 270.785 2.669 20 70 CFIDRN O=C(Nc1cccc2[nH]ccc21)N1CCOC2(CCC2)C1 ZINC000160822281 378801810 /nfs/dbraw/zinc/80/18/10/378801810.db2.gz OHLMWLYCOGSFMN-UHFFFAOYSA-N 0 0 285.347 2.955 20 70 CFIDRN CC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2sccc2C)CCO1 ZINC000160823145 378802257 /nfs/dbraw/zinc/80/22/57/378802257.db2.gz WPGVAROKULLTNF-AGIUHOORSA-N 0 0 279.405 2.797 20 70 CFIDRN C[C@H](CC(=O)c1cccs1)NC(=O)C1CC=CC1 ZINC000160815876 378802309 /nfs/dbraw/zinc/80/23/09/378802309.db2.gz LTCDVEJQTIZTFT-SNVBAGLBSA-N 0 0 263.362 2.792 20 70 CFIDRN O=C(NCc1ccncc1)NC1(c2cccc(F)c2)CC1 ZINC000160819149 378802707 /nfs/dbraw/zinc/80/27/07/378802707.db2.gz ACJKLCHURHGDHB-UHFFFAOYSA-N 0 0 285.322 2.709 20 70 CFIDRN Cc1cc(C)c(CNC(=O)N2CCC[C@](C)(O)C2)c(C)c1 ZINC000161269115 378834770 /nfs/dbraw/zinc/83/47/70/378834770.db2.gz RCJAINJNYFETGB-KRWDZBQOSA-N 0 0 290.407 2.668 20 70 CFIDRN CS[C@@H](C)C(=O)N[C@H](C)CC(=O)c1cccs1 ZINC000160839098 378802716 /nfs/dbraw/zinc/80/27/16/378802716.db2.gz FCMYJGYXDRXAQD-BDAKNGLRSA-N 0 0 271.407 2.577 20 70 CFIDRN CC/C(=C/C(=O)N[C@H](C)Cn1cncn1)c1ccc(C)cc1 ZINC000160860904 378803713 /nfs/dbraw/zinc/80/37/13/378803713.db2.gz NBJWXRFDXQWGLJ-WJQTUHTMSA-N 0 0 298.390 2.585 20 70 CFIDRN CCc1ccccc1C(=O)NCCCOCC1CC1 ZINC000160842317 378803875 /nfs/dbraw/zinc/80/38/75/378803875.db2.gz CUTPMFIBPTWRNL-UHFFFAOYSA-N 0 0 261.365 2.796 20 70 CFIDRN CC[C@@H](C)OCC(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000160843935 378804278 /nfs/dbraw/zinc/80/42/78/378804278.db2.gz SVGPIVDBEAPLCT-YGRLFVJLSA-N 0 0 265.328 2.744 20 70 CFIDRN O=C(Nc1cccc(NC(=O)[C@@H]2CCCCO2)c1)C1CC1 ZINC000160871411 378805567 /nfs/dbraw/zinc/80/55/67/378805567.db2.gz VJVXLFYCRLENLB-AWEZNQCLSA-N 0 0 288.347 2.543 20 70 CFIDRN Cc1ccc(CN(C)Cc2ccc([S@@](C)=O)cc2)o1 ZINC000160873233 378805622 /nfs/dbraw/zinc/80/56/22/378805622.db2.gz QKBJOFKLXDEEBZ-IBGZPJMESA-N 0 0 277.389 2.957 20 70 CFIDRN O=C(C[C@@H]1COC(=O)C1)N(Cc1ccco1)C1CCCC1 ZINC000160878139 378806407 /nfs/dbraw/zinc/80/64/07/378806407.db2.gz PPRXOFTVMJGVGW-LBPRGKRZSA-N 0 0 291.347 2.504 20 70 CFIDRN CCOCCC1(C(=O)Nc2cccc(F)n2)CCC1 ZINC000160890823 378807288 /nfs/dbraw/zinc/80/72/88/378807288.db2.gz HMZCMJMZQNUHIB-UHFFFAOYSA-N 0 0 266.316 2.756 20 70 CFIDRN 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COC(=O)C1(NC(=O)C[C@H]2CCCC(C)(C)C2)CCC1 ZINC000160993054 378815137 /nfs/dbraw/zinc/81/51/37/378815137.db2.gz IMVHGNGBLMYLEZ-GFCCVEGCSA-N 0 0 281.396 2.805 20 70 CFIDRN CCCCCNC(=O)[C@H](C)N(CC)Cc1ccccn1 ZINC000161057784 378817946 /nfs/dbraw/zinc/81/79/46/378817946.db2.gz XTJNADAHXRQYET-AWEZNQCLSA-N 0 0 277.412 2.598 20 70 CFIDRN CCc1noc(C)c1C[S@@](=O)c1ccc(OC)cc1 ZINC000161051057 378818335 /nfs/dbraw/zinc/81/83/35/378818335.db2.gz YUZQJFVDWNVJOL-IBGZPJMESA-N 0 0 279.361 2.862 20 70 CFIDRN CC[C@@H](N[C@@H](C)c1nnc(C)o1)c1nccs1 ZINC000161073098 378819209 /nfs/dbraw/zinc/81/92/09/378819209.db2.gz GZGUXROBBTYXOA-IONNQARKSA-N 0 0 252.343 2.636 20 70 CFIDRN CCc1noc(C)c1C[S@](=O)c1ccc(C)cn1 ZINC000161068990 378819264 /nfs/dbraw/zinc/81/92/64/378819264.db2.gz QJQOSMOFQFOUSZ-GOSISDBHSA-N 0 0 264.350 2.557 20 70 CFIDRN COc1ccc(NC2CCC(NC(C)=O)CC2)cc1F ZINC000161084099 378819408 /nfs/dbraw/zinc/81/94/08/378819408.db2.gz ADUYNPPPFFSPQX-UHFFFAOYSA-N 0 0 280.343 2.694 20 70 CFIDRN 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253.411 2.826 20 70 CFIDRN Clc1ccccc1CCSCCN1CCOCC1 ZINC000160064423 322332485 /nfs/dbraw/zinc/33/24/85/322332485.db2.gz OWDSILCVGHPPJT-UHFFFAOYSA-N 0 0 285.840 2.948 20 70 CFIDRN C[C@@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160096238 322332545 /nfs/dbraw/zinc/33/25/45/322332545.db2.gz VQAFEFRDVVJRMB-IUODEOHRSA-N 0 0 276.355 2.805 20 70 CFIDRN Cc1ccc(CCC(=O)N(C)c2ccc3c(c2)OCO3)o1 ZINC000160112546 322332931 /nfs/dbraw/zinc/33/29/31/322332931.db2.gz DOJOFDCTKURBIY-UHFFFAOYSA-N 0 0 287.315 2.912 20 70 CFIDRN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cn[nH]c1 ZINC000160128017 322332972 /nfs/dbraw/zinc/33/29/72/322332972.db2.gz LEYUIOLRXYTQQF-JTQLQIEISA-N 0 0 298.350 2.686 20 70 CFIDRN Cc1cc(-n2cncn2)ccc1C(=O)NCCC1=CCCC1 ZINC000160150948 322333481 /nfs/dbraw/zinc/33/34/81/322333481.db2.gz GDYMSSIWJSQSTL-UHFFFAOYSA-N 0 0 296.374 2.806 20 70 CFIDRN CCC[C@@H](C(=O)NCC1(CCO)CCC1)C(C)C ZINC000160140434 322333647 /nfs/dbraw/zinc/33/36/47/322333647.db2.gz DYHJIEPLOOHHBM-CYBMUJFWSA-N 0 0 255.402 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CC[C@H](N[C@H](C(N)=O)c1ccc(F)cc1)c1nccs1 ZINC000161069863 348023260 /nfs/dbraw/zinc/02/32/60/348023260.db2.gz SFMGYWVIRBWGGU-RYUDHWBXSA-N 0 0 293.367 2.550 20 70 CFIDRN Cc1ccn(-c2ccccc2NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC000161338620 348023739 /nfs/dbraw/zinc/02/37/39/348023739.db2.gz ZHDKVLFKQVZBQP-IOASZLSFSA-N 0 0 297.358 2.687 20 70 CFIDRN Cc1nc(C2(NCc3cccc(O)c3)CCCC2)no1 ZINC000161369298 348023887 /nfs/dbraw/zinc/02/38/87/348023887.db2.gz GBCKBPRIOBBABH-UHFFFAOYSA-N 0 0 273.336 2.643 20 70 CFIDRN CCc1nc(C2(NCc3ccccn3)CCCC2)no1 ZINC000161380319 348024061 /nfs/dbraw/zinc/02/40/61/348024061.db2.gz AGCXCXWQWZYCCB-UHFFFAOYSA-N 0 0 272.352 2.586 20 70 CFIDRN CNC(=O)c1cnc2ccccc2c1C(F)(F)F ZINC000218728649 348167043 /nfs/dbraw/zinc/16/70/43/348167043.db2.gz BIERJIPRIYOISZ-UHFFFAOYSA-N 0 0 254.211 2.613 20 70 CFIDRN Cc1cc(NC(=O)c2ccccc2OC2CCC2)c[nH]c1=O ZINC000159810330 539826431 /nfs/dbraw/zinc/82/64/31/539826431.db2.gz KUYJYUOYQCFJQS-UHFFFAOYSA-N 0 0 298.342 2.867 20 70 CFIDRN CCc1noc(C)c1CNc1cccc(C(=O)OC)c1 ZINC000159369427 188422426 /nfs/dbraw/zinc/42/24/26/188422426.db2.gz MZNRWLSLABKLSJ-UHFFFAOYSA-N 0 0 274.320 2.944 20 70 CFIDRN CCOC(=O)N1CCC(Nc2ccc(F)c(OC)c2)CC1 ZINC000159954455 188448380 /nfs/dbraw/zinc/44/83/80/188448380.db2.gz WNHBXXGDBZEGLH-UHFFFAOYSA-N 0 0 296.342 2.867 20 70 CFIDRN CCOC(=O)c1c(C)csc1NC(=O)[C@@H]1CCCCO1 ZINC000159414983 188424783 /nfs/dbraw/zinc/42/47/83/188424783.db2.gz ZRRZHVOQCBPJJO-JTQLQIEISA-N 0 0 297.376 2.741 20 70 CFIDRN C[C@@H](C(=O)N(C)C[C@@H]1CCCOC1)c1cccs1 ZINC000159447843 188426371 /nfs/dbraw/zinc/42/63/71/188426371.db2.gz QUESYHIHOUVZHI-NEPJUHHUSA-N 0 0 267.394 2.737 20 70 CFIDRN C[C@@H]1[C@H](C)SCCN1C(=O)c1cccc2nc[nH]c21 ZINC000159601629 188433697 /nfs/dbraw/zinc/43/36/97/188433697.db2.gz JBJNTJDQVJEYEM-ZJUUUORDSA-N 0 0 275.377 2.529 20 70 CFIDRN COc1ccc(N(C)C(=O)[C@@H](C)SC)cc1F ZINC000159692960 188437072 /nfs/dbraw/zinc/43/70/72/188437072.db2.gz LQRXNRBOGAEYMQ-MRVPVSSYSA-N 0 0 257.330 2.549 20 70 CFIDRN COCC(C)(C)C(=O)NCCSc1ccc(C)cc1 ZINC000159739647 188438819 /nfs/dbraw/zinc/43/88/19/188438819.db2.gz HCPCVYKOPWFHOZ-UHFFFAOYSA-N 0 0 281.421 2.876 20 70 CFIDRN CCCCCC[C@H](C)NC(=O)C(=O)Nc1ccc(C)nc1 ZINC000159747991 188440348 /nfs/dbraw/zinc/44/03/48/188440348.db2.gz SIEWMBMOVIKIAX-ZDUSSCGKSA-N 0 0 291.395 2.804 20 70 CFIDRN CCOCCC1(CNC(=O)c2ccnc(F)c2)CCC1 ZINC000159817789 188442596 /nfs/dbraw/zinc/44/25/96/188442596.db2.gz ZCNLNPMAMCLRIP-UHFFFAOYSA-N 0 0 280.343 2.547 20 70 CFIDRN CNC(=O)CCCN(C)C(=O)Nc1ccccc1C(C)C ZINC000159879282 188445961 /nfs/dbraw/zinc/44/59/61/188445961.db2.gz PZRJWTBYWJSXHK-UHFFFAOYSA-N 0 0 291.395 2.800 20 70 CFIDRN O=C(Cc1cc2c(ccc3ccccc23)o1)N1CCOCC1 ZINC000159869813 188446047 /nfs/dbraw/zinc/44/60/47/188446047.db2.gz IQVUBAROPMMLQR-UHFFFAOYSA-N 0 0 295.338 2.987 20 70 CFIDRN CCCCCOc1cccc(O[C@H](C)C(N)=O)c1 ZINC000159876051 188446322 /nfs/dbraw/zinc/44/63/22/188446322.db2.gz ABEBDAHUUKPANZ-LLVKDONJSA-N 0 0 251.326 2.508 20 70 CFIDRN CC[C@H]1CCCC[C@H]1NC(=O)CNC(=O)CC1CCCC1 ZINC000160103555 188456357 /nfs/dbraw/zinc/45/63/57/188456357.db2.gz PXEBEYLOOPGDGA-LSDHHAIUSA-N 0 0 294.439 2.768 20 70 CFIDRN CC[C@H](NC(=O)[C@H]1CCCCO1)c1ccc(OC)cc1 ZINC000160105501 188456484 /nfs/dbraw/zinc/45/64/84/188456484.db2.gz LPVWDYFOSAFLFG-LSDHHAIUSA-N 0 0 277.364 2.832 20 70 CFIDRN O=C(CCC1CCCC1)Cn1nc(-c2ccco2)oc1=O ZINC000160182332 188458762 /nfs/dbraw/zinc/45/87/62/188458762.db2.gz DTLCNJUDSBCTOW-UHFFFAOYSA-N 0 0 290.319 2.636 20 70 CFIDRN CC(C)c1ccc(C(=O)NC[C@@]2(C)CCCC[C@@H]2O)cn1 ZINC000160221888 188460452 /nfs/dbraw/zinc/46/04/52/188460452.db2.gz ZINATKPQJCWQQI-DOTOQJQBSA-N 0 0 290.407 2.876 20 70 CFIDRN CCCCCNC(=O)[C@H](C)Nc1ccc(F)c(OC)c1 ZINC000160242405 188460670 /nfs/dbraw/zinc/46/06/70/188460670.db2.gz YACXGOQDSPHZRZ-NSHDSACASA-N 0 0 282.359 2.941 20 70 CFIDRN COCc1nc(C(=O)NCCC2=CCCC2)cs1 ZINC000160316625 188465401 /nfs/dbraw/zinc/46/54/01/188465401.db2.gz VPCDFTIRENNUOY-UHFFFAOYSA-N 0 0 266.366 2.520 20 70 CFIDRN COc1ccc(CCCNC(=O)[C@@H]2CC2(C)C)cc1 ZINC000160313903 188465426 /nfs/dbraw/zinc/46/54/26/188465426.db2.gz FDDHWHVAMOPGFA-AWEZNQCLSA-N 0 0 261.365 2.790 20 70 CFIDRN CC(=O)C[C@@H](C)NC(=O)COc1ccc(Cl)cc1C ZINC000159962785 188449533 /nfs/dbraw/zinc/44/95/33/188449533.db2.gz BAXFDKRLCAAMTP-SNVBAGLBSA-N 0 0 283.755 2.511 20 70 CFIDRN Cc1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)o1 ZINC000160057943 188453051 /nfs/dbraw/zinc/45/30/51/188453051.db2.gz SKHXAAVAPTWKSQ-LBPRGKRZSA-N 0 0 263.337 2.810 20 70 CFIDRN Cn1nccc1/C=C/C(=O)NCC(C)(C)C1CCCC1 ZINC000160067098 188453128 /nfs/dbraw/zinc/45/31/28/188453128.db2.gz RXBGUCQLYFHNGS-CMDGGOBGSA-N 0 0 275.396 2.766 20 70 CFIDRN CC/C=C(/C)C(=O)NCc1cccnc1OCC(F)F ZINC000160465936 188474481 /nfs/dbraw/zinc/47/44/81/188474481.db2.gz PVAZMOSBXMDUNS-YHYXMXQVSA-N 0 0 284.306 2.698 20 70 CFIDRN CNC(=O)c1ccc(NC(=O)[C@H]2CCCS2)c(Cl)c1 ZINC000160345533 188466998 /nfs/dbraw/zinc/46/69/98/188466998.db2.gz FWVMCACNYUGPNL-LLVKDONJSA-N 0 0 298.795 2.534 20 70 CFIDRN CCOC(=O)CCCNC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000160667173 188486268 /nfs/dbraw/zinc/48/62/68/188486268.db2.gz IMAUJZFIHFVYMJ-VXGBXAGGSA-N 0 0 295.404 2.620 20 70 CFIDRN Cc1ccc(C)c([C@H]2CCCN2C(=O)c2cc[nH]c(=O)c2)c1 ZINC000160669097 188486453 /nfs/dbraw/zinc/48/64/53/188486453.db2.gz NTOSKEXQUMUFDB-MRXNPFEDSA-N 0 0 296.370 2.969 20 70 CFIDRN CC[C@@H](NC(=O)c1scnc1C)c1c(C)noc1C ZINC000160694646 188486692 /nfs/dbraw/zinc/48/66/92/188486692.db2.gz VUAMBODNEUJYLQ-SNVBAGLBSA-N 0 0 279.365 2.937 20 70 CFIDRN COCC(C)(C)C(=O)Nc1ccc2oc(C)nc2c1 ZINC000160701754 188486840 /nfs/dbraw/zinc/48/68/40/188486840.db2.gz GUBBHAAERVFWAM-UHFFFAOYSA-N 0 0 262.309 2.747 20 70 CFIDRN CCc1ncnc(N[C@H]2CCOC(C)(C)C2)c1F ZINC000160851918 188493893 /nfs/dbraw/zinc/49/38/93/188493893.db2.gz BQAJGWIRCHXEDF-VIFPVBQESA-N 0 0 253.321 2.548 20 70 CFIDRN CCC[C@](C)(NC(=O)C1CCC(F)(F)CC1)C(=O)OC ZINC000160998401 188502428 /nfs/dbraw/zinc/50/24/28/188502428.db2.gz BPJAZXOLGSXTPX-ZDUSSCGKSA-N 0 0 291.338 2.660 20 70 CFIDRN CC/C(=C/C(=O)N[C@@H](C)Cn1cncn1)c1ccc(C)cc1 ZINC000160860795 188495536 /nfs/dbraw/zinc/49/55/36/188495536.db2.gz NBJWXRFDXQWGLJ-BUYRESAOSA-N 0 0 298.390 2.585 20 70 CFIDRN O=C(NC[C@@H](O)c1ccsc1)NC1CCCCCC1 ZINC000160863425 188495618 /nfs/dbraw/zinc/49/56/18/188495618.db2.gz BQFOUOKCRZZFGE-CYBMUJFWSA-N 0 0 282.409 2.804 20 70 CFIDRN C[C@H](CC(=O)c1cccs1)NC(=O)C1CCC1 ZINC000160957377 188499575 /nfs/dbraw/zinc/49/95/75/188499575.db2.gz RHGHCPUSRODADW-SECBINFHSA-N 0 0 251.351 2.626 20 70 CFIDRN CC(C)c1ccc(N(C)C(=O)C[C@H]2COC(=O)C2)cc1 ZINC000161145558 188510870 /nfs/dbraw/zinc/51/08/70/188510870.db2.gz IUCDCZQFHMLLQZ-GFCCVEGCSA-N 0 0 275.348 2.726 20 70 CFIDRN CCC[C@@H](CCO)CNC(=O)/C=C/c1ccccc1OC ZINC000161160359 188512477 /nfs/dbraw/zinc/51/24/77/188512477.db2.gz QPFRNUAFFBNIAT-HBWSCVEGSA-N 0 0 291.391 2.623 20 70 CFIDRN CCC(CC)C(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000161020269 188503716 /nfs/dbraw/zinc/50/37/16/188503716.db2.gz IUBXQGFJOQEKJK-AWEZNQCLSA-N 0 0 290.407 2.826 20 70 CFIDRN O=C([C@H]1COc2ccccc21)N1CCc2c(F)cccc2C1 ZINC000161120605 188509361 /nfs/dbraw/zinc/50/93/61/188509361.db2.gz RTKNSOHZTIHDEJ-HNNXBMFYSA-N 0 0 297.329 2.887 20 70 CFIDRN Cc1nc(Cl)ccc1C(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000161234313 188516263 /nfs/dbraw/zinc/51/62/63/188516263.db2.gz HGZZOQLQPCUZGE-NSHDSACASA-N 0 0 294.782 2.685 20 70 CFIDRN CCCCNc1ccccc1C(=O)NCCCOC ZINC000161371170 188523494 /nfs/dbraw/zinc/52/34/94/188523494.db2.gz PAQXOPILASYSHM-UHFFFAOYSA-N 0 0 264.369 2.665 20 70 CFIDRN CCCn1nc(C)c(C(=O)NCCc2cccs2)c1C ZINC000161452301 188527979 /nfs/dbraw/zinc/52/79/79/188527979.db2.gz INHGWIBFLWLJDE-UHFFFAOYSA-N 0 0 291.420 2.944 20 70 CFIDRN COCC(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000160030425 540170550 /nfs/dbraw/zinc/17/05/50/540170550.db2.gz YVLHSHMFNNWDBY-UHFFFAOYSA-N 0 0 269.344 2.659 20 70 CFIDRN CO[C@H]1CCCC[C@@H]1NC(=O)C[C@H](C)c1ccncc1 ZINC000160859183 540682666 /nfs/dbraw/zinc/68/26/66/540682666.db2.gz CLOJIKJACMHBTR-QEJZJMRPSA-N 0 0 276.380 2.649 20 70 CFIDRN CCOC1CC(Nc2cccc(Cn3cccn3)c2)C1 ZINC000159432133 540992658 /nfs/dbraw/zinc/99/26/58/540992658.db2.gz OBKMWSBIRFAECD-UHFFFAOYSA-N 0 0 271.364 2.911 20 70 CFIDRN CCC(C)(CC)C(=O)N1CCS[C@H]2COCC[C@H]21 ZINC000159490742 540995698 /nfs/dbraw/zinc/99/56/98/540995698.db2.gz IOYORBIIXNKKEQ-NEPJUHHUSA-N 0 0 271.426 2.546 20 70 CFIDRN CCC(C)(CC)C(=O)N1CCS[C@H]2COCC[C@@H]21 ZINC000159490498 540995853 /nfs/dbraw/zinc/99/58/53/540995853.db2.gz IOYORBIIXNKKEQ-RYUDHWBXSA-N 0 0 271.426 2.546 20 70 CFIDRN CCC(C)(CC)C(=O)Nc1cncc(-c2nncn2C)c1 ZINC000159505074 540997351 /nfs/dbraw/zinc/99/73/51/540997351.db2.gz NLWWYJLOVMUOOQ-UHFFFAOYSA-N 0 0 287.367 2.642 20 70 CFIDRN COCCOc1ccc(F)cc1NC(=O)NC1CC=CC1 ZINC000159707867 541008623 /nfs/dbraw/zinc/00/86/23/541008623.db2.gz AWCNNHDEYMYMSZ-UHFFFAOYSA-N 0 0 294.326 2.691 20 70 CFIDRN CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000159709245 541008657 /nfs/dbraw/zinc/00/86/57/541008657.db2.gz RGBROLLXQOZOAX-DGFSRKRXSA-N 0 0 277.339 2.824 20 70 CFIDRN C[C@H](C(=O)N(C)Cc1ccsc1)C1CCOCC1 ZINC000159744756 541011895 /nfs/dbraw/zinc/01/18/95/541011895.db2.gz MILJIVWXTVVECA-NSHDSACASA-N 0 0 267.394 2.769 20 70 CFIDRN O=C(NCC1(C2CC2)CC1)c1coc(Br)c1 ZINC000159813955 541012604 /nfs/dbraw/zinc/01/26/04/541012604.db2.gz PRSBKJNUBCGLJL-UHFFFAOYSA-N 0 0 284.153 2.962 20 70 CFIDRN C[C@H](CC(=O)N1CCS[C@H](C)C1)c1ccncc1 ZINC000160018213 541020477 /nfs/dbraw/zinc/02/04/77/541020477.db2.gz ROOXEIJRBAJCLY-VXGBXAGGSA-N 0 0 264.394 2.539 20 70 CFIDRN CC[C@@H](CCO)NC(=O)CCc1ccc(C)c(Cl)c1 ZINC000160068991 541021376 /nfs/dbraw/zinc/02/13/76/541021376.db2.gz QFGIKAWLWMDMLO-ZDUSSCGKSA-N 0 0 283.799 2.858 20 70 CFIDRN CC[C@@H](CCO)NC(=O)c1cc2ccc(F)cc2s1 ZINC000160119796 541021382 /nfs/dbraw/zinc/02/13/82/541021382.db2.gz ALZFIXMOVHGISD-NSHDSACASA-N 0 0 281.352 2.931 20 70 CFIDRN Cc1nc(NC(=O)COc2ccccc2)cc(C2CC2)n1 ZINC000160100492 541021475 /nfs/dbraw/zinc/02/14/75/541021475.db2.gz IRKRQPZFJSFZLA-UHFFFAOYSA-N 0 0 283.331 2.680 20 70 CFIDRN 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281338129 /nfs/dbraw/zinc/33/81/29/281338129.db2.gz UGVZSPHVLLKRMF-LZLYRXPVSA-N 0 0 286.419 2.938 20 70 CFIDRN C[C@@H]1C[C@@H](C)CN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000160462855 288472699 /nfs/dbraw/zinc/47/26/99/288472699.db2.gz OCYVDJKPCDOJHO-GBOPCIDUSA-N 0 0 280.412 2.632 20 70 CFIDRN C[C@H]1CCC[C@H](C(=O)N[C@H]2COc3ccccc3C2)C1 ZINC000160517692 290489220 /nfs/dbraw/zinc/48/92/20/290489220.db2.gz XVXFTOZLBAJCOV-AEGPPILISA-N 0 0 273.376 2.933 20 70 CFIDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)[C@H]1OCC[C@H]1C)CCC2 ZINC000160289912 293427109 /nfs/dbraw/zinc/42/71/09/293427109.db2.gz RQTVWZCVUGXFIY-ICCXJUOJSA-N 0 0 294.420 2.712 20 70 CFIDRN Cn1cc(C(=O)Nc2cccc(F)n2)c(C(C)(C)C)n1 ZINC000160848117 294226296 /nfs/dbraw/zinc/22/62/96/294226296.db2.gz TYRDBGVTRGTTHE-UHFFFAOYSA-N 0 0 276.315 2.504 20 70 CFIDRN COc1cccc2c1CCCCN2C(=O)[C@@]1(C)CCCO1 ZINC000160866127 295333512 /nfs/dbraw/zinc/33/35/12/295333512.db2.gz BROATLKXUKCKJP-QGZVFWFLSA-N 0 0 289.375 2.934 20 70 CFIDRN Cc1cccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1F ZINC000161465441 301950031 /nfs/dbraw/zinc/95/00/31/301950031.db2.gz HJZDQLYWMFLYJC-ZIAGYGMSSA-N 0 0 277.339 2.918 20 70 CFIDRN O=C(CCC1CC1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159641091 303576684 /nfs/dbraw/zinc/57/66/84/303576684.db2.gz DCAHDWQFCTVKQC-CYBMUJFWSA-N 0 0 251.370 2.785 20 70 CFIDRN CCCC1(CNC(=O)C[C@@H](C)NC(=O)C2CCCC2)CC1 ZINC000160516827 327618355 /nfs/dbraw/zinc/61/83/55/327618355.db2.gz PTMIGYUCZLQDCA-CYBMUJFWSA-N 0 0 294.439 2.768 20 70 CFIDRN CS[C@H](C)CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000159381047 322321619 /nfs/dbraw/zinc/32/16/19/322321619.db2.gz WOKKLULZZAVVMT-JHJVBQTASA-N 0 0 273.442 2.840 20 70 CFIDRN O=C(Cc1cc(Br)ccc1F)NCCCF ZINC000159410021 322322294 /nfs/dbraw/zinc/32/22/94/322322294.db2.gz LUTJCQCDIMBXSS-UHFFFAOYSA-N 0 0 292.123 2.607 20 70 CFIDRN COCCC[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000159464800 322322723 /nfs/dbraw/zinc/32/27/23/322322723.db2.gz NXHUJOHCUNHCDG-AWEZNQCLSA-N 0 0 280.387 2.541 20 70 CFIDRN 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CCOC(=O)CCCCN(C)OCc1ccccc1 ZINC000159592840 378718353 /nfs/dbraw/zinc/71/83/53/378718353.db2.gz HVDIEMXDWHOHPJ-UHFFFAOYSA-N 0 0 265.353 2.783 20 70 CFIDRN CCOc1cccc(CNC(=O)C[C@H](C)SC)c1 ZINC000159610462 378719857 /nfs/dbraw/zinc/71/98/57/378719857.db2.gz GFEVKPAXTUIXKC-NSHDSACASA-N 0 0 267.394 2.843 20 70 CFIDRN CSc1cc(C(=O)N2CCOCC2(C)C)ccc1F ZINC000159604388 378720291 /nfs/dbraw/zinc/72/02/91/378720291.db2.gz MWUQPKKLHFHWIU-UHFFFAOYSA-N 0 0 283.368 2.799 20 70 CFIDRN CCOC(=O)NCCCC(=O)Nc1cnc(Cl)c(C)c1 ZINC000159634184 378721374 /nfs/dbraw/zinc/72/13/74/378721374.db2.gz XYTPSYKJMQZRTL-UHFFFAOYSA-N 0 0 299.758 2.508 20 70 CFIDRN Cc1csc(CNC(=O)NC[C@]2(C)CCCS2)n1 ZINC000159634821 378721519 /nfs/dbraw/zinc/72/15/19/378721519.db2.gz WBBVJKCWIUVXKA-LBPRGKRZSA-N 0 0 285.438 2.536 20 70 CFIDRN O=C(Nc1cc(-c2ccccc2)on1)[C@@H]1CCCCO1 ZINC000159723571 378725642 /nfs/dbraw/zinc/72/56/42/378725642.db2.gz BZTQASMBAFLBFL-LBPRGKRZSA-N 0 0 272.304 2.849 20 70 CFIDRN Cc1ccccc1NC(=O)N1CCC(Cn2ccnn2)CC1 ZINC000159723743 378725847 /nfs/dbraw/zinc/72/58/47/378725847.db2.gz ZEQDVJCBEKIAER-UHFFFAOYSA-N 0 0 299.378 2.531 20 70 CFIDRN Cc1nc(Cl)ccc1C(=O)NCC1(C2CC2)CC1 ZINC000159716572 378725995 /nfs/dbraw/zinc/72/59/95/378725995.db2.gz OVRFXKOCSIEVOE-UHFFFAOYSA-N 0 0 264.756 2.963 20 70 CFIDRN C[C@@H](CCc1cccn1C)NC(=O)CCCn1cccc1 ZINC000159707478 378726524 /nfs/dbraw/zinc/72/65/24/378726524.db2.gz PNPYXKYXLWHPEX-HNNXBMFYSA-N 0 0 287.407 2.744 20 70 CFIDRN CC(C)N1CC[C@@H](SCCc2ccccc2)C1=O ZINC000160201329 378756481 /nfs/dbraw/zinc/75/64/81/378756481.db2.gz NTFBHVZOJCDIHY-CQSZACIVSA-N 0 0 263.406 2.972 20 70 CFIDRN CC[C@H](C)CS(=O)(=O)N(C)[C@@H](CC)c1ccncc1 ZINC000159776550 378728657 /nfs/dbraw/zinc/72/86/57/378728657.db2.gz ZKUPPIZLFWAWTI-JSGCOSHPSA-N 0 0 284.425 2.840 20 70 CFIDRN CC(C)[C@H](Cc1ccccc1)C(=O)Nc1cn[nH]c1 ZINC000159774696 378729288 /nfs/dbraw/zinc/72/92/88/378729288.db2.gz YJPZYVBCTPJERB-AWEZNQCLSA-N 0 0 257.337 2.863 20 70 CFIDRN C[C@@H](OCc1ccccc1)C(=O)NCC1(C2CC2)CC1 ZINC000159772982 378729311 /nfs/dbraw/zinc/72/93/11/378729311.db2.gz LOIRHEBRQDXUEE-CYBMUJFWSA-N 0 0 273.376 2.898 20 70 CFIDRN O=C(NCc1nccn1C(F)F)NCC1(C2CC2)CCC1 ZINC000159810222 378732655 /nfs/dbraw/zinc/73/26/55/378732655.db2.gz CBQNEKGUTWBDDT-UHFFFAOYSA-N 0 0 298.337 2.658 20 70 CFIDRN CC[C@H](C)OCC(=O)N1CCCC[C@H]1c1cccn1C ZINC000159809507 378732684 /nfs/dbraw/zinc/73/26/84/378732684.db2.gz RHFNHXVQXCAEHH-ZFWWWQNUSA-N 0 0 278.396 2.894 20 70 CFIDRN CCCN(Cc1ccccc1)C(=O)[C@H]1CCCCO1 ZINC000159833723 378734241 /nfs/dbraw/zinc/73/42/41/378734241.db2.gz MBUGLDYYEUHVAK-OAHLLOKOSA-N 0 0 261.365 2.994 20 70 CFIDRN CCN(C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)C1CC1 ZINC000160285202 378762159 /nfs/dbraw/zinc/76/21/59/378762159.db2.gz AWRNVOJXWXUYME-OAHLLOKOSA-N 0 0 290.363 2.871 20 70 CFIDRN CN(C[C@@H]1CCCC[C@@H]1O)c1nc(C(C)(C)C)ns1 ZINC000160295330 378762278 /nfs/dbraw/zinc/76/22/78/378762278.db2.gz KUQVQYUISSESHL-QWRGUYRKSA-N 0 0 283.441 2.823 20 70 CFIDRN O=C(NCC1(CO)CCCC1)c1ccc2ccccc2n1 ZINC000160298617 378762311 /nfs/dbraw/zinc/76/23/11/378762311.db2.gz FCRJBOVPDNDLQA-UHFFFAOYSA-N 0 0 284.359 2.517 20 70 CFIDRN C[C@@H](CO)[C@H](C)NC(=O)c1occc1-c1ccccc1 ZINC000160301354 378762416 /nfs/dbraw/zinc/76/24/16/378762416.db2.gz ODRWAFPHCLCUNC-RYUDHWBXSA-N 0 0 273.332 2.693 20 70 CFIDRN FC(F)(F)c1ccc(N[C@@H]2CCO[C@@H](C3CC3)C2)nn1 ZINC000160356064 378764998 /nfs/dbraw/zinc/76/49/98/378764998.db2.gz LMXOSSFWZQIZAT-NXEZZACHSA-N 0 0 287.285 2.865 20 70 CFIDRN COC(=O)c1ccc(N[C@H]2CCO[C@@H](C3CC3)C2)nc1C ZINC000160355651 378765136 /nfs/dbraw/zinc/76/51/36/378765136.db2.gz GOMBMFJHKPGMAZ-GXTWGEPZSA-N 0 0 290.363 2.546 20 70 CFIDRN C1CC1c1nnc(N[C@H]2CCO[C@@H](C3CC3)C2)s1 ZINC000160352986 378765242 /nfs/dbraw/zinc/76/52/42/378765242.db2.gz HVUCOCLQIGISJA-WDEREUQCSA-N 0 0 265.382 2.785 20 70 CFIDRN Cc1cc(Cl)ccc1C(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000160351371 378765586 /nfs/dbraw/zinc/76/55/86/378765586.db2.gz HMWUXOIIDRTXNY-GHMZBOCLSA-N 0 0 267.756 2.803 20 70 CFIDRN CN(CCc1ccncc1)C(=O)N1CCCCCC1 ZINC000160379168 378766883 /nfs/dbraw/zinc/76/68/83/378766883.db2.gz ODBJDPZEIMCHNP-UHFFFAOYSA-N 0 0 261.369 2.552 20 70 CFIDRN CC[C@@H](O)CCNC(=O)N[C@@H](C)c1cc(C)ccc1OC ZINC000160803095 378799853 /nfs/dbraw/zinc/79/98/53/378799853.db2.gz LTJWZPDGGOJNIS-QWHCGFSZSA-N 0 0 294.395 2.525 20 70 CFIDRN COc1ccc(C(=O)NCCCC(C)(C)CO)c(C)c1 ZINC000160387098 378768721 /nfs/dbraw/zinc/76/87/21/378768721.db2.gz PKKOSORIHQECIL-UHFFFAOYSA-N 0 0 279.380 2.532 20 70 CFIDRN CCc1cc(N[C@H]2CCO[C@H](C3CC3)C2)nc(C)n1 ZINC000160383749 378769009 /nfs/dbraw/zinc/76/90/09/378769009.db2.gz IHDHITZAVSNTGC-KBPBESRZSA-N 0 0 261.369 2.717 20 70 CFIDRN CCc1ncsc1C(=O)NCC1(O)CCCCCC1 ZINC000160405777 378770869 /nfs/dbraw/zinc/77/08/69/378770869.db2.gz YAIQTNRDQOQVQW-UHFFFAOYSA-N 0 0 282.409 2.521 20 70 CFIDRN CC(C)CONC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160471527 378773650 /nfs/dbraw/zinc/77/36/50/378773650.db2.gz XCPQSYFOISFHGO-CQSZACIVSA-N 0 0 294.351 2.563 20 70 CFIDRN CCc1nc(C[S@](=O)c2ncc(C(C)(C)C)s2)no1 ZINC000160449991 378773972 /nfs/dbraw/zinc/77/39/72/378773972.db2.gz UYSAMHZWZMGSBG-LJQANCHMSA-N 0 0 299.421 2.694 20 70 CFIDRN COc1ccncc1NC(=O)c1cnn(CC(C)C)c1C ZINC000160452963 378774627 /nfs/dbraw/zinc/77/46/27/378774627.db2.gz XNIBNENLECUKHS-UHFFFAOYSA-N 0 0 288.351 2.503 20 70 CFIDRN CCN(CCCO)C(=O)C1(c2ccccc2)CCCC1 ZINC000160466419 378774768 /nfs/dbraw/zinc/77/47/68/378774768.db2.gz CFJYWUBBZBNCNA-UHFFFAOYSA-N 0 0 275.392 2.729 20 70 CFIDRN CCOc1cccc(NC(=O)/C=C/c2cnn(C)c2C)c1 ZINC000160492558 378775918 /nfs/dbraw/zinc/77/59/18/378775918.db2.gz PGJJJKAXOFGAEY-CMDGGOBGSA-N 0 0 285.347 2.779 20 70 CFIDRN C[C@H](CO)CNC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000160477324 378776098 /nfs/dbraw/zinc/77/60/98/378776098.db2.gz SMNFXBFJRJTKQM-ZDUSSCGKSA-N 0 0 277.408 2.661 20 70 CFIDRN CCc1nnc(C[S@](=O)c2ncc(C(C)(C)C)s2)o1 ZINC000160487638 378776356 /nfs/dbraw/zinc/77/63/56/378776356.db2.gz OGTJKIPCXGTUCD-LJQANCHMSA-N 0 0 299.421 2.694 20 70 CFIDRN CCc1cc(=O)[nH]c(CN(CC)Cc2ccccc2)n1 ZINC000160491937 378776407 /nfs/dbraw/zinc/77/64/07/378776407.db2.gz DQUFISAEUBGVOW-UHFFFAOYSA-N 0 0 271.364 2.767 20 70 CFIDRN Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc(=O)n1C ZINC000160500540 378777858 /nfs/dbraw/zinc/77/78/58/378777858.db2.gz DQILNFULBHRLTF-OAHLLOKOSA-N 0 0 296.370 2.671 20 70 CFIDRN CCc1nnc(COc2cccc3c2OC(C)(C)C3)o1 ZINC000160548245 378780225 /nfs/dbraw/zinc/78/02/25/378780225.db2.gz LHLKUJMZEKXUEK-UHFFFAOYSA-N 0 0 274.320 2.925 20 70 CFIDRN CCC[C@@H]1C[C@@H](C(=O)Nc2cccc(F)n2)CCO1 ZINC000160543657 378781295 /nfs/dbraw/zinc/78/12/95/378781295.db2.gz OIQVGQYNQYLCOE-WDEREUQCSA-N 0 0 266.316 2.755 20 70 CFIDRN COc1ccccc1OC[C@@H](C)CNC(=O)NC(C)(C)C ZINC000160575402 378781908 /nfs/dbraw/zinc/78/19/08/378781908.db2.gz FUJUPWUGDWQYLU-LBPRGKRZSA-N 0 0 294.395 2.808 20 70 CFIDRN C[C@@H]1CC[C@@H](C)N1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160571182 378782068 /nfs/dbraw/zinc/78/20/68/378782068.db2.gz NRFXPZHDZBEDKP-OXHZDVMGSA-N 0 0 266.385 2.526 20 70 CFIDRN CC(C)CCn1ccc(NC(=O)N(C)C[C@H]2CCCO2)n1 ZINC000160558303 378782113 /nfs/dbraw/zinc/78/21/13/378782113.db2.gz WAYKBSPXUIHHSP-CYBMUJFWSA-N 0 0 294.399 2.572 20 70 CFIDRN CCC(CC)CNC(=O)N(C)CCc1ccncc1 ZINC000160599712 378784130 /nfs/dbraw/zinc/78/41/30/378784130.db2.gz JVFDFEJZHULQQJ-UHFFFAOYSA-N 0 0 263.385 2.702 20 70 CFIDRN Cc1cc(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc(Cl)n1 ZINC000160580665 378784223 /nfs/dbraw/zinc/78/42/23/378784223.db2.gz JSPMWDUOKIMJJX-CHWSQXEVSA-N 0 0 294.782 2.731 20 70 CFIDRN CC[C@H](NC(=O)[C@@H](C)SC)c1c(C)noc1C ZINC000160597337 378784336 /nfs/dbraw/zinc/78/43/36/378784336.db2.gz UNFZOVKHKQPVTB-ZJUUUORDSA-N 0 0 256.371 2.610 20 70 CFIDRN CC(C)c1cc(=O)n(CC(=O)c2ccc(F)cc2F)cn1 ZINC000160799272 378800718 /nfs/dbraw/zinc/80/07/18/378800718.db2.gz JDLMIAWAKBRRBC-UHFFFAOYSA-N 0 0 292.285 2.528 20 70 CFIDRN CCCOc1cccc(CC(=O)N[C@@H](CO)CC(C)C)c1 ZINC000160795444 378800732 /nfs/dbraw/zinc/80/07/32/378800732.db2.gz ZVYCKEBZAJHRNF-OAHLLOKOSA-N 0 0 293.407 2.541 20 70 CFIDRN O=C(C[NH2+]CC1CC1)Nc1ccccc1CC(F)(F)F ZINC000160799769 378800741 /nfs/dbraw/zinc/80/07/41/378800741.db2.gz QQWSPYQXIFQQSU-UHFFFAOYSA-N 0 0 286.297 2.730 20 70 CFIDRN c1ccc([C@@H]2C[C@H](Nc3ncccn3)CCO2)cc1 ZINC000160617111 378786516 /nfs/dbraw/zinc/78/65/16/378786516.db2.gz QZVKBYMQSWSAEX-KGLIPLIRSA-N 0 0 255.321 2.809 20 70 CFIDRN CC(C)C(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000160642044 378787282 /nfs/dbraw/zinc/78/72/82/378787282.db2.gz KWAVCPWEFOMUTR-UHFFFAOYSA-N 0 0 261.243 2.909 20 70 CFIDRN CCC(CC)(CO)CNC(=O)Nc1ccc(F)cc1OC ZINC000160633914 378788436 /nfs/dbraw/zinc/78/84/36/378788436.db2.gz MKLUCSPAKRKGSL-UHFFFAOYSA-N 0 0 298.358 2.755 20 70 CFIDRN CC(C)Oc1cncc(C(=O)N[C@@H](C)C[C@@H]2CCCO2)c1 ZINC000160666085 378789243 /nfs/dbraw/zinc/78/92/43/378789243.db2.gz GWZZEYMMLCAKMI-JSGCOSHPSA-N 0 0 292.379 2.556 20 70 CFIDRN Cc1[nH]c(=O)ccc1C(=O)NCCCSCC(C)C ZINC000160662729 378789471 /nfs/dbraw/zinc/78/94/71/378789471.db2.gz WKTOQRSHYMYVIG-UHFFFAOYSA-N 0 0 282.409 2.605 20 70 CFIDRN CN(C)c1ccnc(N[C@H]2CCO[C@H](c3ccccc3)C2)n1 ZINC000160660605 378789496 /nfs/dbraw/zinc/78/94/96/378789496.db2.gz XOVQQALBXJXSRF-GJZGRUSLSA-N 0 0 298.390 2.875 20 70 CFIDRN CC[C@H](NCC(=O)NC(C)C)c1ccc(F)cc1F ZINC000160668763 378789530 /nfs/dbraw/zinc/78/95/30/378789530.db2.gz WFAVKBFVMJHRJP-ZDUSSCGKSA-N 0 0 270.323 2.530 20 70 CFIDRN Cc1cc(C(=O)Nc2cncnc2N(C)C)cc(C)c1F ZINC000160655727 378789669 /nfs/dbraw/zinc/78/96/69/378789669.db2.gz QVLVURAIWPCFQG-UHFFFAOYSA-N 0 0 288.326 2.551 20 70 CFIDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC(F)(F)F ZINC000160677189 378791748 /nfs/dbraw/zinc/79/17/48/378791748.db2.gz POIHUTGCIOORFU-SFYZADRCSA-N 0 0 263.284 2.839 20 70 CFIDRN COc1cc(CNC(=O)c2ccc(C(C)C)nc2)ccn1 ZINC000160683601 378791973 /nfs/dbraw/zinc/79/19/73/378791973.db2.gz FHIXLJFHGJAUBS-UHFFFAOYSA-N 0 0 285.347 2.539 20 70 CFIDRN C[C@H]1CC[C@@H](CCC(=O)Nc2cccc(F)n2)O1 ZINC000160718004 378793257 /nfs/dbraw/zinc/79/32/57/378793257.db2.gz ONTYTMSRCROYJM-UWVGGRQHSA-N 0 0 252.289 2.507 20 70 CFIDRN 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