smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCCNC(=O)C[C@@H]1CNCCS1(=O)=O)Cc1ccccc1 ZINC000725015201 836102012 /nfs/dbraw/zinc/10/20/12/836102012.db2.gz MIWVNYHSXINYPT-MRXNPFEDSA-N 0 1 353.488 0.401 10 0 FCAEMN C[C@H](OC(=O)c1c(F)cc(O)cc1F)C(=O)N(C)CC(=O)NC1CC1 ZINC000746983586 836207971 /nfs/dbraw/zinc/20/79/71/836207971.db2.gz ALJGRQGSJSHTPO-QMMMGPOBSA-N 0 1 356.325 0.953 10 0 FCAEMN CC(C)CN1CCO[C@H](CNC(=O)COC(=O)CSC(F)F)C1 ZINC000749415625 836364355 /nfs/dbraw/zinc/36/43/55/836364355.db2.gz ODEFMTWKEMGKAO-LLVKDONJSA-N 0 1 354.419 0.958 10 0 FCAEMN Cn1cc(O)c(=O)cc1CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000750013343 836402222 /nfs/dbraw/zinc/40/22/22/836402222.db2.gz KVLCTYXULISGNT-UHFFFAOYSA-N 0 1 358.379 0.958 10 0 FCAEMN CCOC(=O)c1c(C)[n-]nc1S(=O)(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000751066226 836463929 /nfs/dbraw/zinc/46/39/29/836463929.db2.gz BTLMBMOLJGOZKR-LBPRGKRZSA-N 0 1 374.463 0.284 10 0 FCAEMN CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)NC[C@@H]1CCCN1CCOC ZINC000751066226 836463937 /nfs/dbraw/zinc/46/39/37/836463937.db2.gz BTLMBMOLJGOZKR-LBPRGKRZSA-N 0 1 374.463 0.284 10 0 FCAEMN CNC(=O)c1cc(S(=O)(=O)N2CCC(c3nc[nH]n3)CC2)cn1C ZINC000751255001 836475284 /nfs/dbraw/zinc/47/52/84/836475284.db2.gz KAGJGJSTDXPNQH-UHFFFAOYSA-N 0 1 352.420 0.071 10 0 FCAEMN Cn1ncc(I)c1CNC[C@@H](O)C1CCOCC1 ZINC000828585424 836540801 /nfs/dbraw/zinc/54/08/01/836540801.db2.gz KGBCCPFOVNCNJY-GFCCVEGCSA-N 0 1 365.215 0.902 10 0 FCAEMN COC(=O)C[C@H]1CSCCN1S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000914170362 836563027 /nfs/dbraw/zinc/56/30/27/836563027.db2.gz LFORADUTFWSFBI-ZFWWWQNUSA-N 0 1 362.517 0.783 10 0 FCAEMN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN2CCCOCC(F)(F)F)O1 ZINC001276923339 861694885 /nfs/dbraw/zinc/69/48/85/861694885.db2.gz ICVVKHHSJIIKBE-SDDRHHMPSA-N 0 1 367.368 0.179 10 0 FCAEMN Cc1ccc(C(=O)NCC(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)s1 ZINC001116201703 846626866 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NS(=O)(=O)c1ccc(CC[N@H+]2C[C@H]3COCC[C@]3(C(=O)[O-])C2)cc1 ZINC001118262118 847352687 /nfs/dbraw/zinc/35/26/87/847352687.db2.gz MVULWOJHDXVHGT-BBRMVZONSA-N 0 1 354.428 0.300 10 0 FCAEMN COCCN1CCN(C(=O)CNS(=O)(=O)c2ccccc2)C(C)(C)C1 ZINC001118271462 847356643 /nfs/dbraw/zinc/35/66/43/847356643.db2.gz OXROXNPLIOPGCJ-UHFFFAOYSA-N 0 1 369.487 0.534 10 0 FCAEMN COc1ccc(CN[C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1OCC(N)=O ZINC001118423718 847418868 /nfs/dbraw/zinc/41/88/68/847418868.db2.gz MFDGWZRMKHEYJD-DGCLKSJQSA-N 0 1 356.444 0.615 10 0 FCAEMN CCOC(=O)Cc1cnc(NC(=O)C(=O)N(C)CC2CN(C)C2)s1 ZINC001118444434 847425431 /nfs/dbraw/zinc/42/54/31/847425431.db2.gz MXEPRXDUXPWWDB-UHFFFAOYSA-N 0 1 354.432 0.207 10 0 FCAEMN CCc1nc([C@H](C)OC(=O)c2ccc(S(=O)(=O)NCCO)s2)n[nH]1 ZINC001118452965 847430273 /nfs/dbraw/zinc/43/02/73/847430273.db2.gz HZNVKFWAGWREKU-QMMMGPOBSA-N 0 1 374.444 0.617 10 0 FCAEMN CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCCC3(CCCC3)CC2)C1 ZINC001118616213 847500125 /nfs/dbraw/zinc/50/01/25/847500125.db2.gz KDJOCJCFUOPSSC-MRXNPFEDSA-N 0 1 350.507 0.921 10 0 FCAEMN C[C@]1(C(F)F)CN(C(=O)C(=O)NCc2ccc3cncn3c2)CCO1 ZINC001118655456 847518823 /nfs/dbraw/zinc/51/88/23/847518823.db2.gz AKLKVBZPXZESTD-MRXNPFEDSA-N 0 1 352.341 0.833 10 0 FCAEMN CCN(C(=O)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CCN(C)C1 ZINC001118689504 847539122 /nfs/dbraw/zinc/53/91/22/847539122.db2.gz SOBLSCLQVQFVRJ-MCIONIFRSA-N 0 1 359.492 0.011 10 0 FCAEMN CN(Cc1n[nH]c(=O)o1)C(=O)c1c(Br)nc2n1CCOC2 ZINC001118830813 847597091 /nfs/dbraw/zinc/59/70/91/847597091.db2.gz TVZSHXKCSIQREC-UHFFFAOYSA-N 0 1 358.152 0.537 10 0 FCAEMN CN(C)Cc1ccc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cn1 ZINC001118834793 847600263 /nfs/dbraw/zinc/60/02/63/847600263.db2.gz DAERDBKDRKIDFG-UHFFFAOYSA-N 0 1 354.476 0.639 10 0 FCAEMN CC(C)CCO[C@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2COCCN2)CC1 ZINC001118873845 847613700 /nfs/dbraw/zinc/61/37/00/847613700.db2.gz ZRDQLBFGJCLKOV-JYJNAYRXSA-N 0 1 355.479 0.581 10 0 FCAEMN CSCc1n[nH]c(CNC(=O)C(=O)N2CCC[C@H]2c2cccn2C)n1 ZINC001119583812 847899140 /nfs/dbraw/zinc/89/91/40/847899140.db2.gz CSEXBWWGCMDUSL-LBPRGKRZSA-N 0 1 362.459 0.986 10 0 FCAEMN CSCc1nnc(CNC(=O)C(=O)N2CCC[C@H]2c2cccn2C)[nH]1 ZINC001119583812 847899145 /nfs/dbraw/zinc/89/91/45/847899145.db2.gz CSEXBWWGCMDUSL-LBPRGKRZSA-N 0 1 362.459 0.986 10 0 FCAEMN CSCc1n[nH]c(CNC(=O)C(=O)N2CC[C@H]3CSC[C@H]3C2)n1 ZINC001119585243 847900534 /nfs/dbraw/zinc/90/05/34/847900534.db2.gz PTIGYBKQWISTIR-VHSXEESVSA-N 0 1 355.489 0.495 10 0 FCAEMN CSCc1nnc(CNC(=O)C(=O)N2CC[C@H]3CSC[C@H]3C2)[nH]1 ZINC001119585243 847900539 /nfs/dbraw/zinc/90/05/39/847900539.db2.gz PTIGYBKQWISTIR-VHSXEESVSA-N 0 1 355.489 0.495 10 0 FCAEMN O=C(c1cccn(CC(F)(F)F)c1=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC001119626699 847914014 /nfs/dbraw/zinc/91/40/14/847914014.db2.gz GYLQEUDESLHYNM-VIFPVBQESA-N 0 1 356.308 0.944 10 0 FCAEMN N[C@@H]1CN(C(=O)C(=O)N2CCn3nc(C(F)(F)F)cc3C2)CC[C@H]1F ZINC001119636702 847917730 /nfs/dbraw/zinc/91/77/30/847917730.db2.gz UINDJFURBYKAQX-NXEZZACHSA-N 0 1 363.315 0.142 10 0 FCAEMN O=C(C[N@@H+]1CCC[C@@H](C(=O)[O-])C1)NC[C@H]1CCC2(CCOCC2)CO1 ZINC001119649726 847923766 /nfs/dbraw/zinc/92/37/66/847923766.db2.gz XNWYLBGPLMHFTE-HUUCEWRRSA-N 0 1 354.447 0.875 10 0 FCAEMN Cc1ncc(CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)s1 ZINC001119681343 847935313 /nfs/dbraw/zinc/93/53/13/847935313.db2.gz WOUPROLKQFDADF-KBPBESRZSA-N 0 1 352.460 0.125 10 0 FCAEMN COCCN(C)CCNC(=O)C(=O)N[C@H]1c2ccccc2OC[C@H]1F ZINC001119720367 847951552 /nfs/dbraw/zinc/95/15/52/847951552.db2.gz SZMNFVBZLPFXMB-HIFRSBDPSA-N 0 1 353.394 0.269 10 0 FCAEMN C[C@@H]1CS(=O)(=O)CCCN1C(=O)C(=O)NCC1(N(C)C)CCCC1 ZINC001119739911 847957951 /nfs/dbraw/zinc/95/79/51/847957951.db2.gz BFWKXCUSKRZJSW-CYBMUJFWSA-N 0 1 359.492 0.013 10 0 FCAEMN COCCN1CC[C@H](NC(=O)C(=O)NCC2C[C@H]3CC[C@@H](C2)S3)C1 ZINC001119762880 847967484 /nfs/dbraw/zinc/96/74/84/847967484.db2.gz AVESSGUDVWLSAX-WIGRTHMWSA-N 0 1 355.504 0.614 10 0 FCAEMN 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ZINC000543985653 490954323 /nfs/dbraw/zinc/95/43/23/490954323.db2.gz DGBZYWNSSGXHIB-ZDUSSCGKSA-N 0 1 366.849 0.843 10 0 FCAEMN Cn1ccnc1CN1CCC[C@H](N[C@H](Cc2ccc(F)cc2)C(N)=O)C1=O ZINC000544071777 490956609 /nfs/dbraw/zinc/95/66/09/490956609.db2.gz WXSPFWSBYISRQD-JKSUJKDBSA-N 0 1 373.432 0.736 10 0 FCAEMN CN1CCN(C)[C@H](CNC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)C1 ZINC000544132134 490958642 /nfs/dbraw/zinc/95/86/42/490958642.db2.gz NQIHWKQDIROTHX-HZPDHXFCSA-N 0 1 360.462 0.122 10 0 FCAEMN CN(C)CCCN(C(=O)c1cccc2ncnn21)[C@H]1CCS(=O)(=O)C1 ZINC000544378436 490966971 /nfs/dbraw/zinc/96/69/71/490966971.db2.gz WAQABSMAMJIICO-ZDUSSCGKSA-N 0 1 365.459 0.310 10 0 FCAEMN C[C@@H](O)CN1CCN(C(=O)NCCCc2nnc3ccccn32)C[C@H]1C ZINC000544651486 490974872 /nfs/dbraw/zinc/97/48/72/490974872.db2.gz GZEVRCMGRBFBAP-HUUCEWRRSA-N 0 1 360.462 0.758 10 0 FCAEMN Cc1nnc([C@@H](C)NCC(=O)NC[C@H]2CN(CC(C)C)CCO2)s1 ZINC000544759693 490979631 /nfs/dbraw/zinc/97/96/31/490979631.db2.gz PFMZDGXVCXXJOI-OCCSQVGLSA-N 0 1 355.508 0.970 10 0 FCAEMN CN(C)c1ccncc1C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000544822620 490983147 /nfs/dbraw/zinc/98/31/47/490983147.db2.gz WYJKFSQPAMJSLQ-CQSZACIVSA-N 0 1 356.430 0.802 10 0 FCAEMN CCCn1nccc1NC(=O)C(=O)N1CCN(c2cc(OC)ccn2)CC1 ZINC000532598354 490994881 /nfs/dbraw/zinc/99/48/81/490994881.db2.gz PXNAFYKZUQFQBI-UHFFFAOYSA-N 0 1 372.429 0.984 10 0 FCAEMN CC[C@@H](CO)N1CCN([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC1 ZINC000595326079 491919333 /nfs/dbraw/zinc/91/93/33/491919333.db2.gz LYKCPQGOKCYWCL-GJZGRUSLSA-N 0 1 355.479 0.318 10 0 FCAEMN CCOC(=O)C1(CC(=O)N2CCN(C[C@H](C)O)C[C@H]2C)CCOCC1 ZINC000601468774 491924170 /nfs/dbraw/zinc/92/41/70/491924170.db2.gz UJJIHBYSHWGTDE-CABCVRRESA-N 0 1 356.463 0.650 10 0 FCAEMN CO[C@H](CNC(=O)C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CCOC1 ZINC000668348061 493335012 /nfs/dbraw/zinc/33/50/12/493335012.db2.gz LJOIPXXVGIXNRC-IXDOHACOSA-N 0 1 363.458 0.573 10 0 FCAEMN O=S1(=O)CCCN1[C@@H]1CCCN(C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000562425712 491165139 /nfs/dbraw/zinc/16/51/39/491165139.db2.gz HNVCOWOKEYKNTL-OAGGEKHMSA-N 0 1 362.492 0.043 10 0 FCAEMN Cc1ccc(C[C@H](C)N(C)C(=O)C(=O)NC[C@@H]2CN(C)CCN2C)cc1 ZINC000554042483 491172723 /nfs/dbraw/zinc/17/27/23/491172723.db2.gz WCJCKFMNXOMTLT-FUHWJXTLSA-N 0 1 360.502 0.746 10 0 FCAEMN Cc1nnnn1-c1ccc(C(=O)NC[C@H]2CCCCN2CCO)c(F)c1 ZINC000562557281 491173469 /nfs/dbraw/zinc/17/34/69/491173469.db2.gz USOSFZRZKNJNAS-CQSZACIVSA-N 0 1 362.409 0.686 10 0 FCAEMN COC(=O)CCS(=O)(=O)Nc1cc(CS(C)(=O)=O)ccc1OC ZINC000569634488 491176967 /nfs/dbraw/zinc/17/69/67/491176967.db2.gz XIAFDAWJXGTYNG-UHFFFAOYSA-N 0 1 365.429 0.545 10 0 FCAEMN Cc1cncc(CCNC(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)n1 ZINC000668348359 493336217 /nfs/dbraw/zinc/33/62/17/493336217.db2.gz RHNXFNUFQFUJRN-KRWDZBQOSA-N 0 1 355.442 0.863 10 0 FCAEMN CN1CCN(C)[C@@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C1 ZINC000569682813 491181477 /nfs/dbraw/zinc/18/14/77/491181477.db2.gz GWTLECPOCBMLDI-IKGGRYGDSA-N 0 1 365.522 0.713 10 0 FCAEMN CC(C)CN1CCO[C@H](CNC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)C1 ZINC000554243930 491187565 /nfs/dbraw/zinc/18/75/65/491187565.db2.gz USPXCUJTYUJSBD-BZUAXINKSA-N 0 1 359.511 0.800 10 0 FCAEMN CN(C)[C@@H]1CCOc2c(NC(=O)CN(C)S(=O)(=O)N(C)C)cccc21 ZINC000565309952 491369300 /nfs/dbraw/zinc/36/93/00/491369300.db2.gz PYTCTKJFHUNVTP-CQSZACIVSA-N 0 1 370.475 0.749 10 0 FCAEMN CCO[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CCCN2CCOC)C12CCC2 ZINC000557492313 491378204 /nfs/dbraw/zinc/37/82/04/491378204.db2.gz QMKXJFCYYGRCBM-BZUAXINKSA-N 0 1 367.490 0.677 10 0 FCAEMN COCCN1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]1c1cccn1C ZINC000557492320 491378398 /nfs/dbraw/zinc/37/83/98/491378398.db2.gz AZJLMYXVLNPENG-RDJZCZTQSA-N 0 1 362.474 0.916 10 0 FCAEMN COCCN1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000572589447 491380093 /nfs/dbraw/zinc/38/00/93/491380093.db2.gz XKYXXZPSXYYKAX-FVQBIDKESA-N 0 1 353.463 0.239 10 0 FCAEMN C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](c2cccs2)N(C)C)c2ncnn21 ZINC000668359501 493338986 /nfs/dbraw/zinc/33/89/86/493338986.db2.gz YUCYDVWXDJLOGW-GRYCIOLGSA-N 0 1 362.459 0.881 10 0 FCAEMN Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N[C@@H]2CCCN(C)C2)n1 ZINC000683237562 493339733 /nfs/dbraw/zinc/33/97/33/493339733.db2.gz NJTHGGSTAOGDJJ-CYBMUJFWSA-N 0 1 357.418 0.428 10 0 FCAEMN C[C@@H](NC[C@H](O)CN1CCN(C)CC1)c1nc(Cc2ccccc2)no1 ZINC000572764403 491392157 /nfs/dbraw/zinc/39/21/57/491392157.db2.gz UBNXAYQLJCZRFF-WBVHZDCISA-N 0 1 359.474 0.919 10 0 FCAEMN COC(=O)[C@@H](CF)NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000557857726 491401543 /nfs/dbraw/zinc/40/15/43/491401543.db2.gz SVNNFUBCUMLLMM-UONOGXRCSA-N 0 1 372.418 0.722 10 0 FCAEMN Cc1nc2cccc(C(=O)N[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)c2[nH]1 ZINC000558052862 491410527 /nfs/dbraw/zinc/41/05/27/491410527.db2.gz NGHNFGKYHVUTSL-GFCCVEGCSA-N 0 1 365.459 0.872 10 0 FCAEMN C[C@H](CNC(=O)C(=O)NCc1ccc(F)c(CN(C)C)c1)S(C)(=O)=O ZINC000558216324 491420143 /nfs/dbraw/zinc/42/01/43/491420143.db2.gz GDOGUHISRPRCAD-LLVKDONJSA-N 0 1 373.450 0.053 10 0 FCAEMN COc1cccc(F)c1[C@@H](C)NC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000558217702 491420708 /nfs/dbraw/zinc/42/07/08/491420708.db2.gz OTRZQYBRHXQOTO-CHWSQXEVSA-N 0 1 366.437 0.374 10 0 FCAEMN CN(C)Cc1cc(CNC(=O)C(=O)N2CCC[C@@]2(C)CO)ccc1F ZINC000558217081 491420772 /nfs/dbraw/zinc/42/07/72/491420772.db2.gz HFRAURUINVAMJQ-SFHVURJKSA-N 0 1 351.422 0.877 10 0 FCAEMN COCCCn1nc(C(=O)N[C@H]2CCCN(CCOC)C2)ccc1=O ZINC000668372940 493342333 /nfs/dbraw/zinc/34/23/33/493342333.db2.gz VBFJUQQIGLZKFZ-AWEZNQCLSA-N 0 1 352.435 0.120 10 0 FCAEMN COCCN(C)CCNC(=O)C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000573633205 491445225 /nfs/dbraw/zinc/44/52/25/491445225.db2.gz PULOYQSSGMKVJS-CQSZACIVSA-N 0 1 373.519 0.242 10 0 FCAEMN C[C@@H](O)CN1CCN(C(=O)NCCC2CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000573634803 491445262 /nfs/dbraw/zinc/44/52/62/491445262.db2.gz SHTGITJKAMYJRN-UONOGXRCSA-N 0 1 361.508 0.298 10 0 FCAEMN O=C(NCCCCN1CCOCC1)C(=O)NCCc1cc(F)ccc1F ZINC000566634605 491457578 /nfs/dbraw/zinc/45/75/78/491457578.db2.gz CVTDWLMDKLDDLC-UHFFFAOYSA-N 0 1 369.412 0.852 10 0 FCAEMN CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCO2)CC1 ZINC000566651822 491458251 /nfs/dbraw/zinc/45/82/51/491458251.db2.gz SELWNACSJPQJQB-HNNXBMFYSA-N 0 1 362.478 0.835 10 0 FCAEMN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N(C)[C@H]2CCN(C3CC3)C2)C1 ZINC000566730556 491463145 /nfs/dbraw/zinc/46/31/45/491463145.db2.gz HQOOTYCPGOEFFZ-FMKPAKJESA-N 0 1 364.490 0.445 10 0 FCAEMN O=S(=O)(C[C@@H]1CCOC1)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000566748819 491464552 /nfs/dbraw/zinc/46/45/52/491464552.db2.gz NGDNOGOCBAFZRR-QGZVFWFLSA-N 0 1 368.499 0.969 10 0 FCAEMN COc1cccc([C@H](CNC(=O)C(=O)NCCCn2ccnn2)N(C)C)c1 ZINC000559404270 491470633 /nfs/dbraw/zinc/47/06/33/491470633.db2.gz HGIKRJCPWSCFOX-INIZCTEOSA-N 0 1 374.445 0.212 10 0 FCAEMN CO[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN(CC(C)C)CCO2)CC[C@H]1C ZINC000559439450 491472969 /nfs/dbraw/zinc/47/29/69/491472969.db2.gz BAFQAQJQJOQVQI-OWCLPIDISA-N 0 1 355.479 0.343 10 0 FCAEMN Cc1cc(NC(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)ccc1-n1cnnn1 ZINC000574179054 491479048 /nfs/dbraw/zinc/47/90/48/491479048.db2.gz KDTROGOFVLWGGT-KGLIPLIRSA-N 0 1 359.434 0.890 10 0 FCAEMN COCCN(C(=O)C(=O)N1CCC(c2cn[nH]c2C)CC1)[C@@H]1CCOC1 ZINC000574256389 491484134 /nfs/dbraw/zinc/48/41/34/491484134.db2.gz ZCHSRIYLAUTTRK-OAHLLOKOSA-N 0 1 364.446 0.688 10 0 FCAEMN COCCN1CCC[C@@H]1CNC(=O)C(=O)NCCc1cccc(OC)c1 ZINC000574284382 491486617 /nfs/dbraw/zinc/48/66/17/491486617.db2.gz SOQYEXCYSFJMKE-MRXNPFEDSA-N 0 1 363.458 0.581 10 0 FCAEMN O=C(CNS(=O)(=O)c1c(F)cccc1F)N[C@H]1CCc2[nH]cnc2C1 ZINC000567287153 491497369 /nfs/dbraw/zinc/49/73/69/491497369.db2.gz NBGWQXNXTNHSLC-VIFPVBQESA-N 0 1 370.381 0.640 10 0 FCAEMN O=C(CNS(=O)(=O)c1c(F)cccc1F)N[C@H]1CCc2nc[nH]c2C1 ZINC000567287153 491497371 /nfs/dbraw/zinc/49/73/71/491497371.db2.gz NBGWQXNXTNHSLC-VIFPVBQESA-N 0 1 370.381 0.640 10 0 FCAEMN C[C@@H](NC(=O)NC1CCN(C[C@H]2CCOC2)CC1)C1(S(C)(=O)=O)CC1 ZINC000567378896 491502758 /nfs/dbraw/zinc/50/27/58/491502758.db2.gz JRCUGKUADQKSEC-ZIAGYGMSSA-N 0 1 373.519 0.752 10 0 FCAEMN O=C(NCCCCN1CCOCC1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000559832830 491502949 /nfs/dbraw/zinc/50/29/49/491502949.db2.gz BUUWEJFSMNXRSI-OAGGEKHMSA-N 0 1 365.474 0.289 10 0 FCAEMN CC(C)[C@H]1C[C@H](NC(=O)C(=O)NCCCCN2CCOCC2)CCO1 ZINC000559837710 491503432 /nfs/dbraw/zinc/50/34/32/491503432.db2.gz SENKERBEKNZOHR-HZPDHXFCSA-N 0 1 355.479 0.535 10 0 FCAEMN COC1CCC(CNC(=O)C(=O)NCCCCN2CCOCC2)CC1 ZINC000559835284 491503616 /nfs/dbraw/zinc/50/36/16/491503616.db2.gz ZPPJOCFNGUPTMW-UHFFFAOYSA-N 0 1 355.479 0.536 10 0 FCAEMN CC(C)C[C@H]1C[C@H](NC(=O)C(=O)NCCCCN2CCOCC2)CCO1 ZINC000559839362 491504210 /nfs/dbraw/zinc/50/42/10/491504210.db2.gz XWPMHLKZVVKOTJ-SJORKVTESA-N 0 1 369.506 0.925 10 0 FCAEMN Cc1c([C@H](C)NC(=O)C(=O)NCCCCN2CCOCC2)cnn1C ZINC000559838452 491504349 /nfs/dbraw/zinc/50/43/49/491504349.db2.gz YEYWNCMLNFWKOH-ZDUSSCGKSA-N 0 1 351.451 0.134 10 0 FCAEMN Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)n1 ZINC000559851414 491505322 /nfs/dbraw/zinc/50/53/22/491505322.db2.gz MPZJKMMBBWASJI-INIZCTEOSA-N 0 1 360.458 0.577 10 0 FCAEMN CCn1ncnc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000574717078 491515787 /nfs/dbraw/zinc/51/57/87/491515787.db2.gz DTPFKOOIDZZBMQ-GOEBONIOSA-N 0 1 356.430 0.476 10 0 FCAEMN CCn1ncnc1CNC(=O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000574717078 491515789 /nfs/dbraw/zinc/51/57/89/491515789.db2.gz DTPFKOOIDZZBMQ-GOEBONIOSA-N 0 1 356.430 0.476 10 0 FCAEMN O=C1[C@H](NC[C@@H](O)CN2CCOCC2)CCN1c1ccc(Cl)c(F)c1 ZINC000567685976 491522999 /nfs/dbraw/zinc/52/29/99/491522999.db2.gz SBXPISGGKXUPNT-CZUORRHYSA-N 0 1 371.840 0.867 10 0 FCAEMN Cc1nccc(CNC(=O)C(=O)NCc2ccc(F)c(CN(C)C)c2)n1 ZINC000560315905 491530571 /nfs/dbraw/zinc/53/05/71/491530571.db2.gz YDAFQHJLLVQMEH-UHFFFAOYSA-N 0 1 359.405 0.918 10 0 FCAEMN CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[S@](=O)C(C)(C)CC2)C1 ZINC000560319446 491531158 /nfs/dbraw/zinc/53/11/58/491531158.db2.gz OVSWVSWTQYTWGX-LMKMVOKYSA-N 0 1 373.563 0.692 10 0 FCAEMN O=C(NCCN1CCC1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000574979051 491531373 /nfs/dbraw/zinc/53/13/73/491531373.db2.gz SEPRJFSEZYTOLF-AWEZNQCLSA-N 0 1 352.460 0.455 10 0 FCAEMN CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@H](N)C(F)(F)F)CC1 ZINC000567818039 491531597 /nfs/dbraw/zinc/53/15/97/491531597.db2.gz NRMRHZGKBABRFN-LBPRGKRZSA-N 0 1 352.401 0.619 10 0 FCAEMN NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)N3CC[C@@H]4OCC[C@@H]4C3)cc21 ZINC000567830439 491532978 /nfs/dbraw/zinc/53/29/78/491532978.db2.gz AJQGILOAWXQXKG-RNCFNFMXSA-N 0 1 357.370 0.238 10 0 FCAEMN CN1CCN(c2cccc(C(=O)N[C@@H]3C[C@H]4CCCCN4C3=O)n2)CC1 ZINC000567851828 491534915 /nfs/dbraw/zinc/53/49/15/491534915.db2.gz KHFJFTBMJSEGJR-GDBMZVCRSA-N 0 1 357.458 0.717 10 0 FCAEMN CCc1nn(C)c(CC)c1CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000575093535 491538912 /nfs/dbraw/zinc/53/89/12/491538912.db2.gz ZRPCANGYIMVKJG-CQSZACIVSA-N 0 1 361.490 0.856 10 0 FCAEMN CN(C)C(=O)N(C)[C@H]1CCN(C(=O)NCCCCN2CCOCC2)C1 ZINC000660402496 493349128 /nfs/dbraw/zinc/34/91/28/493349128.db2.gz HLTYTLPDHWZTLI-HNNXBMFYSA-N 0 1 355.483 0.496 10 0 FCAEMN CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)NCCCCN2CCOCC2)C1 ZINC000660402501 493349200 /nfs/dbraw/zinc/34/92/00/493349200.db2.gz HLTYTLPDHWZTLI-OAHLLOKOSA-N 0 1 355.483 0.496 10 0 FCAEMN NS(=O)(=O)C[C@@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 ZINC000560525550 491544030 /nfs/dbraw/zinc/54/40/30/491544030.db2.gz QCTWYJHJXCLNHP-GFCCVEGCSA-N 0 1 360.505 0.480 10 0 FCAEMN O=C(NCCS(=O)(=O)N1CCSCC1)[C@H]1CCc2[nH]cnc2C1 ZINC000668408566 493349563 /nfs/dbraw/zinc/34/95/63/493349563.db2.gz XEMFEKLUTFHNHH-NSHDSACASA-N 0 1 358.489 0.009 10 0 FCAEMN C[C@@H]1C[C@]2(CCO1)CN(C(=O)C(=O)N[C@@H]1CCN(C3CC3)C1)C[C@H](C)O2 ZINC000560655105 491549958 /nfs/dbraw/zinc/54/99/58/491549958.db2.gz MDGABVNXRSRVMY-NXEZDXNNSA-N 0 1 365.474 0.524 10 0 FCAEMN C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000560655103 491550237 /nfs/dbraw/zinc/55/02/37/491550237.db2.gz MDGABVNXRSRVMY-DEXNDLTESA-N 0 1 365.474 0.524 10 0 FCAEMN C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC2)C1)c1ccc(-n2ccnn2)cc1 ZINC000560667942 491551627 /nfs/dbraw/zinc/55/16/27/491551627.db2.gz XOSNAEPOBWURHA-DZGCQCFKSA-N 0 1 368.441 0.797 10 0 FCAEMN COCCn1cc(C(=O)NC[C@H]2CCCCN2CCO)c(=O)cc1C ZINC000568069877 491551633 /nfs/dbraw/zinc/55/16/33/491551633.db2.gz SDACKJIXGUVFEA-OAHLLOKOSA-N 0 1 351.447 0.380 10 0 FCAEMN CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000568114686 491554204 /nfs/dbraw/zinc/55/42/04/491554204.db2.gz KOPAEYXIQHSJHM-WMZOPIPTSA-N 0 1 370.453 0.847 10 0 FCAEMN CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@H](c2ccco2)c2ccccc2)C1 ZINC000568114686 491554206 /nfs/dbraw/zinc/55/42/06/491554206.db2.gz KOPAEYXIQHSJHM-WMZOPIPTSA-N 0 1 370.453 0.847 10 0 FCAEMN C[C@H]1CCn2ncc(C(=O)N3CCN([C@@H]4CCNC(=O)CC4)CC3)c2C1 ZINC000568273576 491565580 /nfs/dbraw/zinc/56/55/80/491565580.db2.gz GJTDRBSYIGLZSJ-GJZGRUSLSA-N 0 1 359.474 0.892 10 0 FCAEMN COCCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)c1nccs1 ZINC000561118717 491575908 /nfs/dbraw/zinc/57/59/08/491575908.db2.gz IIYJHDGHGBJIRV-QWHCGFSZSA-N 0 1 354.476 0.590 10 0 FCAEMN COCCN1CCC[C@@H]1CNC(=O)C(=O)N(C)Cc1nccn1C(F)F ZINC000561121819 491576451 /nfs/dbraw/zinc/57/64/51/491576451.db2.gz PSBGHPMMVQPGLF-GFCCVEGCSA-N 0 1 373.404 0.464 10 0 FCAEMN CCc1nc(CN(C)C(=O)C(=O)NC[C@@H]2CCCN2CCOC)cs1 ZINC000561121186 491576664 /nfs/dbraw/zinc/57/66/64/491576664.db2.gz LHXKEHPCYAUZST-AWEZNQCLSA-N 0 1 368.503 0.891 10 0 FCAEMN Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCC[C@@H](N3CCCC3=O)C2)n[nH]1 ZINC000568429668 491577470 /nfs/dbraw/zinc/57/74/70/491577470.db2.gz ADHHBMXYJSPHOJ-SWLSCSKDSA-N 0 1 361.446 0.379 10 0 FCAEMN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)N1C[C@H]3CCC[C@@H](C1)N3)CC2 ZINC000576099320 491581158 /nfs/dbraw/zinc/58/11/58/491581158.db2.gz AYZCPROWOALWGL-XUWVNRHRSA-N 0 1 365.474 0.118 10 0 FCAEMN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(=O)N1C[C@H]3CCC[C@@H](C1)N3)CC2 ZINC000576099319 491581629 /nfs/dbraw/zinc/58/16/29/491581629.db2.gz AYZCPROWOALWGL-QXSJWSMHSA-N 0 1 365.474 0.118 10 0 FCAEMN CCN1CCN(c2ccc(CNC(=O)[C@H]3CCCN(C)C3=O)cn2)CC1 ZINC000577030495 491582846 /nfs/dbraw/zinc/58/28/46/491582846.db2.gz YTMACFNUTFTGJP-MRXNPFEDSA-N 0 1 359.474 0.708 10 0 FCAEMN CO[C@H](CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC2)C1)C(F)(F)F ZINC000576144057 491585298 /nfs/dbraw/zinc/58/52/98/491585298.db2.gz JZFQEQDXVQGYRC-VXGBXAGGSA-N 0 1 351.369 0.765 10 0 FCAEMN O=C(Nc1cccc(N2CCOCC2)c1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000576184100 491590593 /nfs/dbraw/zinc/59/05/93/491590593.db2.gz QPOWFBOKGXUFCU-OAHLLOKOSA-N 0 1 358.442 0.815 10 0 FCAEMN COCCOc1ccc(CNC(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)cn1 ZINC000568610740 491590867 /nfs/dbraw/zinc/59/08/67/491590867.db2.gz JRCAGHUBJGIDBM-GJZGRUSLSA-N 0 1 366.462 0.703 10 0 FCAEMN O=C([O-])COc1ccc(CCNc2cc[nH+]c(N3CCOCC3)n2)cc1 ZINC000577117202 491591864 /nfs/dbraw/zinc/59/18/64/491591864.db2.gz MYFSURYDWMTQLK-UHFFFAOYSA-N 0 1 358.398 1.431 10 0 FCAEMN CCN(CC)CCS(=O)(=O)NCc1cccc(N2CCOCC2)n1 ZINC000577148486 491595316 /nfs/dbraw/zinc/59/53/16/491595316.db2.gz UTFONRSFYJZDRJ-UHFFFAOYSA-N 0 1 356.492 0.679 10 0 FCAEMN COC(=O)c1cn([C@H]2CCCN(C(=O)N[C@H]3CCc4nc[nH]c4C3)C2)nn1 ZINC000584503243 491598555 /nfs/dbraw/zinc/59/85/55/491598555.db2.gz ZXNMGSYJHXWQKX-RYUDHWBXSA-N 0 1 373.417 0.692 10 0 FCAEMN COC(=O)c1cnc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c(Cl)c1 ZINC000568704273 491602685 /nfs/dbraw/zinc/60/26/85/491602685.db2.gz DXHIOZLBUKDSGC-UHFFFAOYSA-N 0 1 372.790 0.760 10 0 FCAEMN CN1C(=O)COc2ccc(NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)N4)cc21 ZINC000576371607 491609265 /nfs/dbraw/zinc/60/92/65/491609265.db2.gz LADBZRZVJLAJSJ-BETUJISGSA-N 0 1 358.398 0.333 10 0 FCAEMN CCN(CC)CCS(=O)(=O)N1[C@@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000576387412 491610473 /nfs/dbraw/zinc/61/04/73/491610473.db2.gz FYUYSNUUXVLSRY-APIJFGDWSA-N 0 1 362.492 0.841 10 0 FCAEMN CCN(CC)CCS(=O)(=O)N1[C@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000576387417 491610477 /nfs/dbraw/zinc/61/04/77/491610477.db2.gz FYUYSNUUXVLSRY-CBBWQLFWSA-N 0 1 362.492 0.841 10 0 FCAEMN COc1ccc(N2C(=O)N[C@@]3(CCSC3)C2=O)cc1NS(C)(=O)=O ZINC000577345377 491613612 /nfs/dbraw/zinc/61/36/12/491613612.db2.gz FKLSLPSLDFRYOU-CQSZACIVSA-N 0 1 371.440 0.999 10 0 FCAEMN O=C(NC[C@H]1CS(=O)(=O)c2ccccc2O1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000577369706 491615909 /nfs/dbraw/zinc/61/59/09/491615909.db2.gz JBXRSBFBRAUHQV-MJBXVCDLSA-N 0 1 365.455 0.757 10 0 FCAEMN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000561704186 491626516 /nfs/dbraw/zinc/62/65/16/491626516.db2.gz KTKUGDIBQXGMMN-TWMKSMIVSA-N 0 1 372.469 0.579 10 0 FCAEMN CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CCN1CC(F)F ZINC000561896491 491638615 /nfs/dbraw/zinc/63/86/15/491638615.db2.gz GWFYAPGCJGSUOY-UMVBOHGHSA-N 0 1 372.460 0.773 10 0 FCAEMN C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C[C@@H]1C(=O)[O-] ZINC000576755484 491641920 /nfs/dbraw/zinc/64/19/20/491641920.db2.gz 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365.396 0.605 10 0 FCAEMN CC(C)[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2occc2CN(C)C)C[C@H]1O ZINC001281704055 863658020 /nfs/dbraw/zinc/65/80/20/863658020.db2.gz AVOXPGJVLPJOPF-MCIONIFRSA-N 0 1 355.410 0.637 10 0 FCAEMN CCCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)CN3CC[C@H](C)C3)C2)CCC1 ZINC001281717302 863680240 /nfs/dbraw/zinc/68/02/40/863680240.db2.gz GIPDYXBSUFXHFJ-ARFHVFGLSA-N 0 1 351.491 0.987 10 0 FCAEMN CC(=O)NCC(=O)N[C@@H]1CN(C(=O)c2cc(C(F)(F)F)[nH]n2)C[C@H]1C ZINC001281736124 863691502 /nfs/dbraw/zinc/69/15/02/863691502.db2.gz ZMACUQCAHCGMJZ-GMSGAONNSA-N 0 1 361.324 0.141 10 0 FCAEMN CO[C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@H]1NC(=O)CCC(F)F ZINC001281843325 863810967 /nfs/dbraw/zinc/81/09/67/863810967.db2.gz AUDDYLPYXADLOW-CYZMBNFOSA-N 0 1 358.389 0.976 10 0 FCAEMN CCSCCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCCN2C)[C@H](OC)C1 ZINC001281844515 863812915 /nfs/dbraw/zinc/81/29/15/863812915.db2.gz QUOORNUDOYAMHI-QLFBSQMISA-N 0 1 357.520 0.956 10 0 FCAEMN CO[C@@H]1CN(C(=O)CCCC(C)=O)C[C@H]1NC(=O)[C@@H]1CCCCN1C ZINC001281844588 863812999 /nfs/dbraw/zinc/81/29/99/863812999.db2.gz TWMJMCHSYUBLGL-OWCLPIDISA-N 0 1 353.463 0.572 10 0 FCAEMN CO[C@@H]1CN(C(=O)CC(F)(F)C(F)F)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001281849076 863820276 /nfs/dbraw/zinc/82/02/76/863820276.db2.gz MIHAOOAWJXTIPO-GMTAPVOTSA-N 0 1 369.359 0.713 10 0 FCAEMN CO[C@@H]1CN(C(=O)[C@H](C)CC(C)(C)C)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001281860465 863835846 /nfs/dbraw/zinc/83/58/46/863835846.db2.gz BTFZSBAJPCHKSR-JHJVBQTASA-N 0 1 351.451 0.762 10 0 FCAEMN CS[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3ccoc3)[nH]n2)C[C@@H]1O ZINC001281867116 863849435 /nfs/dbraw/zinc/84/94/35/863849435.db2.gz IEKYBHNPORVTOA-FZQKWOKYSA-N 0 1 364.427 0.723 10 0 FCAEMN CCO[C@@H](CC)C(=O)N[C@@H]1CN(C(=O)c2cc(C(F)F)[nH]n2)C[C@@H]1O ZINC001281870591 863858578 /nfs/dbraw/zinc/85/85/78/863858578.db2.gz BEVNBSLPFBNEOL-WOPDTQHZSA-N 0 1 360.361 0.464 10 0 FCAEMN CC[C@H](CC(F)F)C(=O)N[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@@H]1O 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CSC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1c[nH]nn1 ZINC001282710160 864411132 /nfs/dbraw/zinc/41/11/32/864411132.db2.gz MJDNOWXVNGMBMD-ASEORRQLSA-N 0 1 351.476 0.985 10 0 FCAEMN CSC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1cnn[nH]1 ZINC001282710160 864411138 /nfs/dbraw/zinc/41/11/38/864411138.db2.gz MJDNOWXVNGMBMD-ASEORRQLSA-N 0 1 351.476 0.985 10 0 FCAEMN CN1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCS(C)(=O)=O ZINC001282778133 864439468 /nfs/dbraw/zinc/43/94/68/864439468.db2.gz ZKUSHOZOXSNBHW-KBXIAJHMSA-N 0 1 371.503 0.154 10 0 FCAEMN C[C@@H](C(=O)N(C)C)N(C)CCOCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001283400008 864497793 /nfs/dbraw/zinc/49/77/93/864497793.db2.gz PUCBUJZYRDKVFO-YHUYYLMFSA-N 0 1 355.479 0.343 10 0 FCAEMN CNC(=O)NC(=O)[C@@H](C)N(C)CCOCCNC(=O)[C@]12C[C@H]1CCC2 ZINC001283400169 864497851 /nfs/dbraw/zinc/49/78/51/864497851.db2.gz SLYNWUGJLLIWFO-PBFPGSCMSA-N 0 1 354.451 0.085 10 0 FCAEMN CC[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NCc1ccc(S(C)(=O)=O)cc1 ZINC001283802689 864520593 /nfs/dbraw/zinc/52/05/93/864520593.db2.gz CCVCSDJDKVATEJ-IJEWVQPXSA-N 0 1 354.472 0.703 10 0 FCAEMN CN(CCN1CC[C@@]2(NC(=O)[C@]34C[C@H]3COC4)CCC[C@@H]12)S(C)(=O)=O ZINC001284059177 864538615 /nfs/dbraw/zinc/53/86/15/864538615.db2.gz UYOVZEWKRVIEHJ-FSDCSDTHSA-N 0 1 371.503 0.028 10 0 FCAEMN Cc1nc(CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CCO[C@H]2C2CC2)n[nH]1 ZINC001284505559 864570819 /nfs/dbraw/zinc/57/08/19/864570819.db2.gz MYTBEDBQNUKFHJ-FMKPAKJESA-N 0 1 351.451 0.179 10 0 FCAEMN CC[C@@H]1[C@@H](C(=O)NCCN(CC)C(=O)c2n[nH]c(C)c2[O-])CC[N@H+]1C ZINC001284619262 864582657 /nfs/dbraw/zinc/58/26/57/864582657.db2.gz RPDANKOVTHOKLF-QWHCGFSZSA-N 0 1 351.451 0.732 10 0 FCAEMN CS(=O)(=O)CCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001284869120 864600222 /nfs/dbraw/zinc/60/02/22/864600222.db2.gz RRPVXNYLKJQCNK-YNEHKIRRSA-N 0 1 368.459 0.055 10 0 FCAEMN O=C(CCc1nc[nH]n1)NC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001285431541 864628311 /nfs/dbraw/zinc/62/83/11/864628311.db2.gz HVTIZRZGAWTMAF-RWMBFGLXSA-N 0 1 363.443 0.196 10 0 FCAEMN O=C(NC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1scnc1Cl ZINC001285438986 864630249 /nfs/dbraw/zinc/63/02/49/864630249.db2.gz USAHLAYMZUJLJZ-DJLDLDEBSA-N 0 1 369.834 0.530 10 0 FCAEMN CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)C(C)(C)c1cnc[nH]1 ZINC001285444295 864632653 /nfs/dbraw/zinc/63/26/53/864632653.db2.gz UGBFTKFFHOUWCK-MGPQQGTHSA-N 0 1 350.463 0.963 10 0 FCAEMN C[C@@H](CCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1[nH]ncc1F ZINC001287316450 864712200 /nfs/dbraw/zinc/71/22/00/864712200.db2.gz RAVHRUNAXKNBJA-BAFIMQKQSA-N 0 1 350.394 0.987 10 0 FCAEMN Cc1ncsc1C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001288064836 864762388 /nfs/dbraw/zinc/76/23/88/864762388.db2.gz RJWVRDPCEVYXMY-QJPTWQEYSA-N 0 1 363.443 0.527 10 0 FCAEMN CN(C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(=O)C1(C(F)F)CC1 ZINC001288082999 864764838 /nfs/dbraw/zinc/76/48/38/864764838.db2.gz LBMSLYITEQFPLG-HBNTYKKESA-N 0 1 356.373 0.494 10 0 FCAEMN COCCN(CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(=O)c1cnsn1 ZINC001288246943 864784961 /nfs/dbraw/zinc/78/49/61/864784961.db2.gz VFMZVRRBCRKNPV-GHMZBOCLSA-N 0 1 364.431 0.270 10 0 FCAEMN CCOCCCC(=O)N1CC[C@H]2CN(C(=O)C3=NC(=O)N(C)C3)C[C@H]21 ZINC001288916613 864812249 /nfs/dbraw/zinc/81/22/49/864812249.db2.gz MWYQBWWDTOPXHK-GXTWGEPZSA-N 0 1 350.419 0.615 10 0 FCAEMN COCCOCCC(=O)N1C[C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C1 ZINC001288950884 864821941 /nfs/dbraw/zinc/82/19/41/864821941.db2.gz WRDABGGTJOKSQR-JKSUJKDBSA-N 0 1 353.463 0.195 10 0 FCAEMN CN(CCc1ccccc1)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 ZINC001289003838 864844799 /nfs/dbraw/zinc/84/47/99/864844799.db2.gz OWAACIIGRHJKPR-ZIAGYGMSSA-N 0 1 355.385 0.114 10 0 FCAEMN COC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC001289149094 864950955 /nfs/dbraw/zinc/95/09/55/864950955.db2.gz BZJRIGBZUOUMEW-ABAIWWIYSA-N 0 1 353.400 0.621 10 0 FCAEMN 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ZINC000632123005 492934093 /nfs/dbraw/zinc/93/40/93/492934093.db2.gz KONNIBMVBOOYRB-IRXDYDNUSA-N 0 1 361.552 0.875 10 0 FCAEMN Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658539106 492936568 /nfs/dbraw/zinc/93/65/68/492936568.db2.gz QUKNTFFIMCULRK-UHFFFAOYSA-N 0 1 353.444 0.357 10 0 FCAEMN CCN1c2ccc(NC(=O)C(=O)N(C)CC3CN(C)C3)cc2CCC1=O ZINC000658540143 492937982 /nfs/dbraw/zinc/93/79/82/492937982.db2.gz MTLWQOWNTPDUFG-UHFFFAOYSA-N 0 1 358.442 0.944 10 0 FCAEMN CN(C(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1)[C@H]1CCN(C2CC2)C1 ZINC000658542494 492940026 /nfs/dbraw/zinc/94/00/26/492940026.db2.gz VCJHXBZHEAWQRK-ZBFHGGJFSA-N 0 1 362.474 0.152 10 0 FCAEMN COC1(CS(=O)(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)CCC1 ZINC000632161017 492941924 /nfs/dbraw/zinc/94/19/24/492941924.db2.gz PRHCRXVEBTVFQJ-HOTGVXAUSA-N 0 1 359.536 0.843 10 0 FCAEMN CN1CCN(CCCS(=O)(=O)N2CCC[C@H](OC(F)F)C2)CC1 ZINC000632196598 492948128 /nfs/dbraw/zinc/94/81/28/492948128.db2.gz DMBMQPPAJMIULM-ZDUSSCGKSA-N 0 1 355.451 0.657 10 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GGMYHSPWVDFGQV-SUMWQHHRSA-N 0 1 355.504 0.710 10 0 FCAEMN COc1cc(NC(=O)C(=O)NC[C@@H]2COCCN2)cc(OC)c1C(C)C ZINC000626880766 493046866 /nfs/dbraw/zinc/04/68/66/493046866.db2.gz GHPOQNJYDUQCDW-CYBMUJFWSA-N 0 1 365.430 0.870 10 0 FCAEMN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000646440398 493048476 /nfs/dbraw/zinc/04/84/76/493048476.db2.gz TUDQBHCFKUMKDZ-GJZGRUSLSA-N 0 1 363.462 0.829 10 0 FCAEMN C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)o1 ZINC000646448010 493049407 /nfs/dbraw/zinc/04/94/07/493049407.db2.gz YHTIBQVPRGASFL-NEPJUHHUSA-N 0 1 357.432 0.123 10 0 FCAEMN C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)o1 ZINC000646448010 493049410 /nfs/dbraw/zinc/04/94/10/493049410.db2.gz YHTIBQVPRGASFL-NEPJUHHUSA-N 0 1 357.432 0.123 10 0 FCAEMN COCCOCCN1CCN(C(=O)c2cn[nH]c2-c2ccccn2)CC1 ZINC000652997804 493054844 /nfs/dbraw/zinc/05/48/44/493054844.db2.gz OHACOCVNNIWZOB-UHFFFAOYSA-N 0 1 359.430 0.893 10 0 FCAEMN COCCC1CN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000658795756 493058029 /nfs/dbraw/zinc/05/80/29/493058029.db2.gz NBVZQNXAQVJODD-UHFFFAOYSA-N 0 1 353.463 0.052 10 0 FCAEMN CCN(C(=O)C(=O)N1CCC(OCCCOC)CC1)[C@H]1CCN(C)C1 ZINC000658800795 493059053 /nfs/dbraw/zinc/05/90/53/493059053.db2.gz AKPISEHBMZNIGC-HNNXBMFYSA-N 0 1 355.479 0.583 10 0 FCAEMN CCO[C@@H](C)c1noc(CN(C)C(=O)C(=O)N(CC)[C@H]2CCN(C)C2)n1 ZINC000658804476 493061283 /nfs/dbraw/zinc/06/12/83/493061283.db2.gz WTRVAZXCPIGIQM-STQMWFEESA-N 0 1 367.450 0.678 10 0 FCAEMN CC[C@@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CCN(C)C2)C[C@@]2(CCOC2)O1 ZINC000658804972 493061743 /nfs/dbraw/zinc/06/17/43/493061743.db2.gz YYFLVAHQAZTGGT-IIDMSEBBSA-N 0 1 353.463 0.336 10 0 FCAEMN CC[C@@H]1CN(C(=O)C(=O)N(CC)[C@H]2CCN(C)C2)C[C@]2(CCOC2)O1 ZINC000658804970 493062138 /nfs/dbraw/zinc/06/21/38/493062138.db2.gz YYFLVAHQAZTGGT-DAYGRLMNSA-N 0 1 353.463 0.336 10 0 FCAEMN CCN(C(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1)[C@H]1CCN(C)C1 ZINC000658803713 493062178 /nfs/dbraw/zinc/06/21/78/493062178.db2.gz 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Cc1cccc2nc(CNC(=O)N3CCN(S(C)(=O)=O)CC3)[nH]c21 ZINC000132735431 488655654 /nfs/dbraw/zinc/65/56/54/488655654.db2.gz NFUATIJGVMIVRF-UHFFFAOYSA-N 0 1 351.432 0.658 10 0 FCAEMN COCCCCS(=O)(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000133543359 488660432 /nfs/dbraw/zinc/66/04/32/488660432.db2.gz NTSPXHNRAVAHNV-UHFFFAOYSA-N 0 1 356.492 0.679 10 0 FCAEMN C[C@H]1CN(C(=O)c2cnccc2N(C)C)CCN1c1nccn2cnnc12 ZINC000273670233 488666404 /nfs/dbraw/zinc/66/64/04/488666404.db2.gz JCUWRLSXOGBDOL-ZDUSSCGKSA-N 0 1 366.429 0.936 10 0 FCAEMN COCCCN(C(=O)[C@H]1CCCc2[nH]ncc21)[C@@H]1CCS(=O)(=O)C1 ZINC000134456420 488666675 /nfs/dbraw/zinc/66/66/75/488666675.db2.gz WVIKOKJCTXUKEN-OLZOCXBDSA-N 0 1 355.460 0.882 10 0 FCAEMN CCNC(=O)N1CC[C@H](NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C1 ZINC000134733474 488668761 /nfs/dbraw/zinc/66/87/61/488668761.db2.gz AIGIALPDMQIBQG-HOTGVXAUSA-N 0 1 368.526 0.361 10 0 FCAEMN C[C@H](CCNC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21)[S@](C)=O ZINC000134789854 488668915 /nfs/dbraw/zinc/66/89/15/488668915.db2.gz 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FCAEMN COC(=O)CN(C)C(=O)CCN(C)Cc1cn(C)nc1C(F)(F)F ZINC000155275071 488753575 /nfs/dbraw/zinc/75/35/75/488753575.db2.gz YYWDEGXMDMKXNO-UHFFFAOYSA-N 0 1 350.341 0.892 10 0 FCAEMN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCCc2nc[nH]n2)C1 ZINC000267072635 488758826 /nfs/dbraw/zinc/75/88/26/488758826.db2.gz IXVUPPLPXLVLLG-CQSZACIVSA-N 0 1 356.386 0.661 10 0 FCAEMN Cc1cc(C[C@@H](C)NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)n[nH]1 ZINC000155836192 488759688 /nfs/dbraw/zinc/75/96/88/488759688.db2.gz IDXMIVMQTCJWSC-LLVKDONJSA-N 0 1 355.398 0.859 10 0 FCAEMN CCOc1ccc(C(=O)NCC(=O)N2CCCN(CCOC)CC2)cc1 ZINC000267088024 488760412 /nfs/dbraw/zinc/76/04/12/488760412.db2.gz KZGCOEIEGRRJBV-UHFFFAOYSA-N 0 1 363.458 0.996 10 0 FCAEMN O=S1(=O)CCN(C2CCN([C@H]3Cc4ccccc4[C@@H]3O)CC2)CC1 ZINC000155973679 488760937 /nfs/dbraw/zinc/76/09/37/488760937.db2.gz RCSNNRCCZDYNCD-ROUUACIJSA-N 0 1 350.484 0.840 10 0 FCAEMN Cc1nc(C(=O)NC[C@H]2CCC[C@@H]2O)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000267156432 488765595 /nfs/dbraw/zinc/76/55/95/488765595.db2.gz SCZGROJSJBQTRE-SFYZADRCSA-N 0 1 359.312 0.603 10 0 FCAEMN CC(=O)N1CC[C@H](CN(C)CC(=O)NCCN2CCc3ccccc32)C1 ZINC000156510937 488765953 /nfs/dbraw/zinc/76/59/53/488765953.db2.gz PDTKHWMGRAUUNS-QGZVFWFLSA-N 0 1 358.486 0.966 10 0 FCAEMN CNC(=O)c1ccc(S(=O)(=O)NC[C@]2(N(C)C)CCSC2)cc1 ZINC000267182661 488768002 /nfs/dbraw/zinc/76/80/02/488768002.db2.gz NFMIGLQQKYRKHM-OAHLLOKOSA-N 0 1 357.501 0.762 10 0 FCAEMN C[C@@H](N[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1cn[nH]c1 ZINC000275244199 488776238 /nfs/dbraw/zinc/77/62/38/488776238.db2.gz XNTVPOWCFUDFAW-TUAOUCFPSA-N 0 1 365.459 0.974 10 0 FCAEMN CCN1CCN(c2ccc(CNC(=O)N[C@H](C)Cn3cncn3)cn2)CC1 ZINC000158293430 488777291 /nfs/dbraw/zinc/77/72/91/488777291.db2.gz NZCLLJBTCKJLJH-OAHLLOKOSA-N 0 1 372.477 0.703 10 0 FCAEMN C[C@H](CCNC(=O)NCc1ccnc(N2CCN(C)CC2)c1)[S@@](C)=O ZINC000160817225 488793657 /nfs/dbraw/zinc/79/36/57/488793657.db2.gz IGQDVXWRIUFIGB-PWECECGKSA-N 0 1 367.519 0.790 10 0 FCAEMN NCc1ccc(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)o1 ZINC000168293399 488812357 /nfs/dbraw/zinc/81/23/57/488812357.db2.gz DXFBVRVJOVCETF-OAHLLOKOSA-N 0 1 359.426 0.936 10 0 FCAEMN CCN1CC[NH+](Cc2ccc(NC(=O)c3cnc([O-])n(C)c3=O)cc2)CC1 ZINC000267718366 488814895 /nfs/dbraw/zinc/81/48/95/488814895.db2.gz UPTJLLGXWJSTIY-UHFFFAOYSA-N 0 1 371.441 0.876 10 0 FCAEMN CN1CCN(c2cc(C(=O)N3CCN(c4cnccn4)CC3)ccn2)CC1 ZINC000170787720 488816404 /nfs/dbraw/zinc/81/64/04/488816404.db2.gz MYFJKPZVHGUKIA-UHFFFAOYSA-N 0 1 367.457 0.586 10 0 FCAEMN CCOCCN1CCN(CC(=O)N(C)Cc2cnn(C)c2)C[C@@H]1CC ZINC000170940835 488818529 /nfs/dbraw/zinc/81/85/29/488818529.db2.gz VSUUACSAILJSMY-KRWDZBQOSA-N 0 1 351.495 0.811 10 0 FCAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1 ZINC000171286402 488822010 /nfs/dbraw/zinc/82/20/10/488822010.db2.gz RDQJYZOJDGYYDE-SNVBAGLBSA-N 0 1 360.336 0.933 10 0 FCAEMN CC(C)N1CCO[C@H](CN2CCN(C(=O)NCC3CCOCC3)CC2)C1 ZINC000172332226 488832879 /nfs/dbraw/zinc/83/28/79/488832879.db2.gz NSUVSODXRDNSDG-GOSISDBHSA-N 0 1 368.522 0.849 10 0 FCAEMN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCCN(C2CC2)CC1 ZINC000172348015 488833341 /nfs/dbraw/zinc/83/33/41/488833341.db2.gz NJSFUXXAPNUJOI-INIZCTEOSA-N 0 1 358.490 0.684 10 0 FCAEMN CCOCCN1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)C[C@H]1CC ZINC000172603253 488835816 /nfs/dbraw/zinc/83/58/16/488835816.db2.gz GIFJQSVUYYPTKD-HUUCEWRRSA-N 0 1 350.467 0.735 10 0 FCAEMN CC(C)CN1CCO[C@@H](CNC(=O)COc2ccc(OCCO)cc2)C1 ZINC000268070890 488837890 /nfs/dbraw/zinc/83/78/90/488837890.db2.gz JVGUZDOFBHKDMU-SFHVURJKSA-N 0 1 366.458 0.910 10 0 FCAEMN NC(=O)c1ccc(NCC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000172807710 488838408 /nfs/dbraw/zinc/83/84/08/488838408.db2.gz ASZFHLMFRURTIH-HNNXBMFYSA-N 0 1 360.458 0.768 10 0 FCAEMN COc1cccc(CS(=O)(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000173455988 488843005 /nfs/dbraw/zinc/84/30/05/488843005.db2.gz SAQWBXZJIWFYEZ-OAHLLOKOSA-N 0 1 355.504 0.998 10 0 FCAEMN Cc1nc([C@@H]2CN(C(=O)CCNC(=O)Cc3ccccc3)CCO2)n[nH]1 ZINC000173522543 488843244 /nfs/dbraw/zinc/84/32/44/488843244.db2.gz FVCUEGGDVYLHKK-HNNXBMFYSA-N 0 1 357.414 0.762 10 0 FCAEMN Cc1cc(N2CCC[C@H](NC(=O)N3CCN(CC4CC4)CC3)C2=O)n(C)n1 ZINC000173563489 488843727 /nfs/dbraw/zinc/84/37/27/488843727.db2.gz WZYQCBFONXHKGQ-INIZCTEOSA-N 0 1 374.489 0.961 10 0 FCAEMN Cc1nc([C@@H]2CN(Cc3cccc(S(=O)(=O)N(C)C)c3)CCO2)n[nH]1 ZINC000173672680 488844346 /nfs/dbraw/zinc/84/43/46/488844346.db2.gz HKUIPTYRAXYCMQ-HNNXBMFYSA-N 0 1 365.459 0.937 10 0 FCAEMN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)C(C)(C)NS(C)(=O)=O ZINC000173788226 488845203 /nfs/dbraw/zinc/84/52/03/488845203.db2.gz SEYNETVTEPPJFD-HIFRSBDPSA-N 0 1 368.503 0.736 10 0 FCAEMN C[C@@H]1CN(C(=O)c2ccnc(N3CCN(C)CC3)c2)C[C@@H]1N1CCOCC1 ZINC000173846084 488845844 /nfs/dbraw/zinc/84/58/44/488845844.db2.gz GMAWXDDJNDCGGT-AEFFLSMTSA-N 0 1 373.501 0.626 10 0 FCAEMN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000174004469 488846981 /nfs/dbraw/zinc/84/69/81/488846981.db2.gz BDYBKYZAJOGKSI-WBMJQRKESA-N 0 1 351.472 0.980 10 0 FCAEMN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C1 ZINC000174003203 488847034 /nfs/dbraw/zinc/84/70/34/488847034.db2.gz FIDCJHQSYSOOBD-YGRLFVJLSA-N 0 1 366.443 0.223 10 0 FCAEMN C[C@@H](O)CN1CCN(C(=O)CCc2nc(-c3ccccn3)no2)C[C@@H]1C ZINC000174352958 488849010 /nfs/dbraw/zinc/84/90/10/488849010.db2.gz XDTGVJQDEDYCRT-UONOGXRCSA-N 0 1 359.430 0.978 10 0 FCAEMN CC[C@@H]1CN(C(=O)Cn2nnc(-c3ccccc3)n2)CCN1C[C@@H](C)O ZINC000174592911 488850043 /nfs/dbraw/zinc/85/00/43/488850043.db2.gz XGZQCODSEUEYFS-GDBMZVCRSA-N 0 1 358.446 0.644 10 0 FCAEMN CC[C@H]1CN(C(=O)CCc2nc(-c3ncccn3)no2)CCN1C[C@@H](C)O ZINC000174645293 488850569 /nfs/dbraw/zinc/85/05/69/488850569.db2.gz MUQOLTNUMOKFBQ-KGLIPLIRSA-N 0 1 374.445 0.763 10 0 FCAEMN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000174830653 488851630 /nfs/dbraw/zinc/85/16/30/488851630.db2.gz RJGPOUXBJNBQSZ-RHSMWYFYSA-N 0 1 360.458 0.776 10 0 FCAEMN COCCCS(=O)(=O)NCCN1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000175199328 488853415 /nfs/dbraw/zinc/85/34/15/488853415.db2.gz LVIDRJPZPZTWER-INIZCTEOSA-N 0 1 373.523 0.563 10 0 FCAEMN Cc1nc([C@H]2CN(C(=O)NCc3nncn3-c3ccccc3)CCO2)n[nH]1 ZINC000175395899 488854039 /nfs/dbraw/zinc/85/40/39/488854039.db2.gz MQABOIXLWFZXFD-CQSZACIVSA-N 0 1 368.401 0.977 10 0 FCAEMN Cc1nc([C@H]2CN(C(=O)NCCn3c4ccccc4oc3=O)CCO2)n[nH]1 ZINC000175513686 488854414 /nfs/dbraw/zinc/85/44/14/488854414.db2.gz QGGKUEXIUHRFPC-CQSZACIVSA-N 0 1 372.385 0.804 10 0 FCAEMN CN1CCN(c2cc(C(=O)NCCCNC(=O)C3CCC3)ccn2)CC1 ZINC000177035202 488859012 /nfs/dbraw/zinc/85/90/12/488859012.db2.gz QTCRATILIITOTL-UHFFFAOYSA-N 0 1 359.474 0.870 10 0 FCAEMN Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000176975379 488859030 /nfs/dbraw/zinc/85/90/30/488859030.db2.gz MNXHHXGLLRPSPX-UONOGXRCSA-N 0 1 359.434 0.890 10 0 FCAEMN CC[C@@H]1CN(C(=O)NCC2CCN(C(C)=O)CC2)CCN1C[C@@H](C)O ZINC000181718771 488863647 /nfs/dbraw/zinc/86/36/47/488863647.db2.gz OLFDCISSPDLIPQ-RHSMWYFYSA-N 0 1 354.495 0.732 10 0 FCAEMN C[C@@H]1CN(S(=O)(=O)N[C@H](c2nnc[nH]2)c2ccccc2)C[C@H](C)O1 ZINC000364606739 488977705 /nfs/dbraw/zinc/97/77/05/488977705.db2.gz KJVWQQJGRPOSEN-SCRDCRAPSA-N 0 1 351.432 0.838 10 0 FCAEMN COCCCN(CCO)C(=O)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000288421036 488979830 /nfs/dbraw/zinc/97/98/30/488979830.db2.gz MMGYGYKHYITWAL-IRXDYDNUSA-N 0 1 363.458 0.405 10 0 FCAEMN CCN(CCOCCO)C(=O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000288430922 488980074 /nfs/dbraw/zinc/98/00/74/488980074.db2.gz NGTTUXGUOKZOIR-DLBZAZTESA-N 0 1 363.458 0.405 10 0 FCAEMN COC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CCO1 ZINC000288519332 488988211 /nfs/dbraw/zinc/98/82/11/488988211.db2.gz VUIGCIVXACOALS-YESZJQIVSA-N 0 1 361.442 0.422 10 0 FCAEMN COC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CCO1 ZINC000288519322 488988337 /nfs/dbraw/zinc/98/83/37/488988337.db2.gz VUIGCIVXACOALS-BBWFWOEESA-N 0 1 361.442 0.422 10 0 FCAEMN CC[C@H](NC(=O)N[C@H](c1nnc[nH]1)c1ccccc1)C(=O)N1CCOCC1 ZINC000364734649 488994596 /nfs/dbraw/zinc/99/45/96/488994596.db2.gz BMLQVOCWMVIHOB-GJZGRUSLSA-N 0 1 372.429 0.831 10 0 FCAEMN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2C)cc1C(N)=O ZINC000280299553 488995867 /nfs/dbraw/zinc/99/58/67/488995867.db2.gz ISWQAQIQCPSSLB-ZDUSSCGKSA-N 0 1 362.430 0.722 10 0 FCAEMN COC(=O)Cn1ccc(NC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)n1 ZINC000364935811 489020812 /nfs/dbraw/zinc/02/08/12/489020812.db2.gz BCRLTVRQXUQQFN-AWEZNQCLSA-N 0 1 355.358 1.085 10 0 FCAEMN COC(=O)CC1(NCC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000563220310 491228444 /nfs/dbraw/zinc/22/84/44/491228444.db2.gz KQFXBCHFHIPIHU-UHFFFAOYSA-N 0 1 365.455 0.718 10 0 FCAEMN CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)n(C)c1 ZINC000365021616 489030217 /nfs/dbraw/zinc/03/02/17/489030217.db2.gz ZQJMUHVSJQJYIA-SNVBAGLBSA-N 0 1 351.432 0.286 10 0 FCAEMN COc1ccc(CN(C)C(=O)C[NH+]2CCC(c3nc(=O)[n-][nH]3)CC2)cc1 ZINC000280891550 489038843 /nfs/dbraw/zinc/03/88/43/489038843.db2.gz DDATWBGVSFQOCP-UHFFFAOYSA-N 0 1 359.430 0.945 10 0 FCAEMN COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000280974106 489044767 /nfs/dbraw/zinc/04/47/67/489044767.db2.gz KSQPJMCPAMFTHT-GFCCVEGCSA-N 0 1 359.430 0.991 10 0 FCAEMN COc1ccccc1CNC(=O)[C@@H](C)N1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000280974106 489044771 /nfs/dbraw/zinc/04/47/71/489044771.db2.gz KSQPJMCPAMFTHT-GFCCVEGCSA-N 0 1 359.430 0.991 10 0 FCAEMN COc1cccc(CN(C)C(=O)C[NH+]2CCC(c3nc(=O)[n-][nH]3)CC2)c1 ZINC000281020261 489047454 /nfs/dbraw/zinc/04/74/54/489047454.db2.gz OIIQPXSOOXICTJ-UHFFFAOYSA-N 0 1 359.430 0.945 10 0 FCAEMN Cc1ccc2c(=O)c(C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)c[n-]c2[nH+]1 ZINC000365322009 489063612 /nfs/dbraw/zinc/06/36/12/489063612.db2.gz UEQCUWUONHDHER-AWEZNQCLSA-N 0 1 366.381 0.913 10 0 FCAEMN CCS(=O)(=O)c1ccc(CC(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)cc1 ZINC000281411032 489073703 /nfs/dbraw/zinc/07/37/03/489073703.db2.gz AJCVCLCSTRYFOW-HUUCEWRRSA-N 0 1 368.499 0.936 10 0 FCAEMN Cc1nn(C)c(C)c1[C@H]1[C@H](N[C@@H]2CCCS(=O)(=O)C2)CC(=O)N1C ZINC000330190413 489078366 /nfs/dbraw/zinc/07/83/66/489078366.db2.gz MLJMPQIYFWZGJQ-XJKCOSOUSA-N 0 1 354.476 0.476 10 0 FCAEMN Cn1ccnc(N2CCC[C@H](NC(=O)N3CCN4CCCC[C@H]4C3)C2)c1=O ZINC000281521255 489082697 /nfs/dbraw/zinc/08/26/97/489082697.db2.gz LRNZIAFWATWZJT-HOTGVXAUSA-N 0 1 374.489 0.629 10 0 FCAEMN C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000365539854 489085749 /nfs/dbraw/zinc/08/57/49/489085749.db2.gz VJGNXEZXMMXVFS-BZUAXINKSA-N 0 1 353.463 0.241 10 0 FCAEMN COc1cccc([C@@H]2[C@@H](NC(=O)CN3CCOCC3=O)CCN2C2CC2)c1 ZINC000365683249 489099990 /nfs/dbraw/zinc/09/99/90/489099990.db2.gz XSZXMEBSEIOZNL-FXAWDEMLSA-N 0 1 373.453 0.948 10 0 FCAEMN COc1cccc([C@H]2[C@H](NC(=O)CN3CCOCC3=O)CCN2C2CC2)c1 ZINC000365683251 489100380 /nfs/dbraw/zinc/10/03/80/489100380.db2.gz XSZXMEBSEIOZNL-XLIONFOSSA-N 0 1 373.453 0.948 10 0 FCAEMN C[C@H]1CCCCN1CCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000330494830 489108667 /nfs/dbraw/zinc/10/86/67/489108667.db2.gz VRPUCOKRSRITBC-LBPRGKRZSA-N 0 1 361.489 0.487 10 0 FCAEMN CCN(CC)CCS(=O)(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 ZINC000554968170 491234238 /nfs/dbraw/zinc/23/42/38/491234238.db2.gz NFDRFLBPKDSLRB-HNNXBMFYSA-N 0 1 355.460 0.672 10 0 FCAEMN CCOC(=O)C1(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CCOCC1 ZINC000330601881 489122335 /nfs/dbraw/zinc/12/23/35/489122335.db2.gz DVYRKQPRQKVGGH-HNNXBMFYSA-N 0 1 354.447 0.527 10 0 FCAEMN CCOC(=O)C1(C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CCOCC1 ZINC000330624129 489124983 /nfs/dbraw/zinc/12/49/83/489124983.db2.gz QUVJYIAMICFZIZ-AWEZNQCLSA-N 0 1 356.463 0.650 10 0 FCAEMN CC(C)(C)CCN1CCN(C(=O)c2ccc(S(N)(=O)=O)cn2)CC1 ZINC000330635493 489126504 /nfs/dbraw/zinc/12/65/04/489126504.db2.gz MKVDOXCRZCYSRR-UHFFFAOYSA-N 0 1 354.476 0.923 10 0 FCAEMN Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000330655761 489128592 /nfs/dbraw/zinc/12/85/92/489128592.db2.gz PWZHBZBWJXLNCJ-LLVKDONJSA-N 0 1 360.505 0.070 10 0 FCAEMN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000366093507 489144469 /nfs/dbraw/zinc/14/44/69/489144469.db2.gz SXERJEMHSNONTK-BFHYXJOUSA-N 0 1 363.462 0.840 10 0 FCAEMN COC[C@@](C)(CCO)NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000282421770 489162634 /nfs/dbraw/zinc/16/26/34/489162634.db2.gz SSLJDSLZZMZMSJ-MRXNPFEDSA-N 0 1 351.428 0.589 10 0 FCAEMN CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NC2(c3nnc[nH]3)CCC2)=NO1 ZINC000282435799 489163419 /nfs/dbraw/zinc/16/34/19/489163419.db2.gz RZCAANGCEAUAEW-JTQLQIEISA-N 0 1 364.406 0.970 10 0 FCAEMN CSc1c(C(=O)N2CCC(O)(CN3CCOCC3)CC2)cnn1C ZINC000331116371 489174950 /nfs/dbraw/zinc/17/49/50/489174950.db2.gz VORYHINXILZRIQ-UHFFFAOYSA-N 0 1 354.476 0.441 10 0 FCAEMN CN1CCC[C@H](C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1=O ZINC000294412452 489189243 /nfs/dbraw/zinc/18/92/43/489189243.db2.gz MRMYBZZCUOTQHC-GOSISDBHSA-N 0 1 358.486 0.789 10 0 FCAEMN O=C(NC1CC1)c1[n-]nnc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000297617992 489214989 /nfs/dbraw/zinc/21/49/89/489214989.db2.gz BAMKAQIHGUPCFI-AWEZNQCLSA-N 0 1 370.413 0.536 10 0 FCAEMN O=C(NC1CC1)c1[n-]nnc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000297617992 489214992 /nfs/dbraw/zinc/21/49/92/489214992.db2.gz BAMKAQIHGUPCFI-AWEZNQCLSA-N 0 1 370.413 0.536 10 0 FCAEMN CC(C)C(=O)N1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000283163058 489221386 /nfs/dbraw/zinc/22/13/86/489221386.db2.gz CVIZLXDJKWBZEV-KRWDZBQOSA-N 0 1 374.485 0.732 10 0 FCAEMN COc1cccc(-n2cc(C(=O)Nc3nn[nH]c3C(=O)NC3CC3)nn2)c1 ZINC000297685054 489223543 /nfs/dbraw/zinc/22/35/43/489223543.db2.gz ICYQRWPHROYKID-UHFFFAOYSA-N 0 1 368.357 0.539 10 0 FCAEMN CCc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)Cn2cncn2)N(C)C)cc1 ZINC000283225567 489230023 /nfs/dbraw/zinc/23/00/23/489230023.db2.gz ACSUOIFTDKOKJM-PBHICJAKSA-N 0 1 372.473 0.764 10 0 FCAEMN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nn[nH]c2C(=O)NC2CC2)C1 ZINC000297751209 489235117 /nfs/dbraw/zinc/23/51/17/489235117.db2.gz OGQVDVBNDBSXFF-WDEREUQCSA-N 0 1 362.434 0.920 10 0 FCAEMN CCN1CCN(CC(=O)NC[C@H](CO)Cc2ccncc2Cl)CC1 ZINC000563392290 491241393 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493155755 /nfs/dbraw/zinc/15/57/55/493155755.db2.gz OTCZYIUGHONKEA-UHFFFAOYSA-N 0 1 358.552 0.923 10 0 FCAEMN COCCCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659109492 493157173 /nfs/dbraw/zinc/15/71/73/493157173.db2.gz HSVPUBLMPQRJIF-CHWSQXEVSA-N 0 1 353.394 0.938 10 0 FCAEMN Cc1nc(NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)ccc1-c1cnn(C)c1 ZINC000659110173 493157822 /nfs/dbraw/zinc/15/78/22/493157822.db2.gz VHGMTILLBPJODP-ZIAGYGMSSA-N 0 1 360.393 0.627 10 0 FCAEMN CNS(=O)(=O)CCCNC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000633473980 493158240 /nfs/dbraw/zinc/15/82/40/493158240.db2.gz RBZZKIGEWJHAKR-UHFFFAOYSA-N 0 1 360.455 0.626 10 0 FCAEMN CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)CC1 ZINC000666376313 493170499 /nfs/dbraw/zinc/17/04/99/493170499.db2.gz YQMQXCNJXWOQMD-HUUCEWRRSA-N 0 1 374.551 0.667 10 0 FCAEMN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000666378513 493171918 /nfs/dbraw/zinc/17/19/18/493171918.db2.gz GLRRRNHDSGWURR-QLFBSQMISA-N 0 1 360.524 0.277 10 0 FCAEMN CC(C)(C)CCCNC(=O)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000627361552 493177619 /nfs/dbraw/zinc/17/76/19/493177619.db2.gz RCBXAHDKOHOSDX-UHFFFAOYSA-N 0 1 367.494 0.098 10 0 FCAEMN CC(C)OC[C@H](N)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000659284323 493183189 /nfs/dbraw/zinc/18/31/89/493183189.db2.gz GZZIVKXTFTXYBK-KRWDZBQOSA-N 0 1 362.474 0.694 10 0 FCAEMN Cc1nc2ccccn2c(=O)c1CCN1CCN(c2nncn2C)CC1 ZINC000653822398 493185000 /nfs/dbraw/zinc/18/50/00/493185000.db2.gz PQAQTASBAARMJG-UHFFFAOYSA-N 0 1 353.430 0.496 10 0 FCAEMN Cn1c(C(F)(F)F)nc2cncc(C(=O)NCC(=O)N3CCNCC3)c21 ZINC000659300416 493187493 /nfs/dbraw/zinc/18/74/93/493187493.db2.gz MUDWYASGIWCXFU-UHFFFAOYSA-N 0 1 370.335 0.149 10 0 FCAEMN CCCCCc1cc(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)n[nH]1 ZINC000666485766 493191059 /nfs/dbraw/zinc/19/10/59/493191059.db2.gz GWRMIPINVCNPGB-LBPRGKRZSA-N 0 1 357.480 0.788 10 0 FCAEMN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCNC[C@H]2C(C)C)C1 ZINC000627387552 493194757 /nfs/dbraw/zinc/19/47/57/493194757.db2.gz UEDLXVISZPOUCL-WBVHZDCISA-N 0 1 374.485 0.847 10 0 FCAEMN CNC(=O)C[C@@H](NC(=O)C(=O)N1CCNC[C@@H]1C(C)C)c1ccccc1 ZINC000627388181 493196150 /nfs/dbraw/zinc/19/61/50/493196150.db2.gz MZTGMJPKPVCVJX-HZPDHXFCSA-N 0 1 360.458 0.436 10 0 FCAEMN CC(C)[C@@H]1CNCCN1C(=O)C(=O)N[C@@H]1CCCc2c1ccc(=O)n2C ZINC000627425601 493214094 /nfs/dbraw/zinc/21/40/94/493214094.db2.gz UMRONLKAPOUWRB-ZBFHGGJFSA-N 0 1 360.458 0.335 10 0 FCAEMN CN1C(=O)N[C@@](C)(c2ccc(NC(=O)NCCc3nc[nH]n3)cc2)C1=O ZINC000654185227 493215460 /nfs/dbraw/zinc/21/54/60/493215460.db2.gz UUNPGBLXUMYNBJ-INIZCTEOSA-N 0 1 357.374 0.566 10 0 FCAEMN CN1C(=O)N[C@](C)(c2ccc(NC(=O)NCCc3nc[nH]n3)cc2)C1=O ZINC000654185228 493215769 /nfs/dbraw/zinc/21/57/69/493215769.db2.gz UUNPGBLXUMYNBJ-MRXNPFEDSA-N 0 1 357.374 0.566 10 0 FCAEMN C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C[C@H](C)O1 ZINC000659643966 493228100 /nfs/dbraw/zinc/22/81/00/493228100.db2.gz IPANOVOSQDKGAG-BETUJISGSA-N 0 1 369.462 0.362 10 0 FCAEMN C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C[C@H](C)O1 ZINC000659643966 493228105 /nfs/dbraw/zinc/22/81/05/493228105.db2.gz IPANOVOSQDKGAG-BETUJISGSA-N 0 1 369.462 0.362 10 0 FCAEMN O=C([O-])C1(CNC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCC1 ZINC000659647184 493228519 /nfs/dbraw/zinc/22/85/19/493228519.db2.gz RZCOQFDVTLYKRY-UHFFFAOYSA-N 0 1 359.426 0.532 10 0 FCAEMN O=C([O-])C1(CNC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CCC1 ZINC000659647184 493228520 /nfs/dbraw/zinc/22/85/20/493228520.db2.gz RZCOQFDVTLYKRY-UHFFFAOYSA-N 0 1 359.426 0.532 10 0 FCAEMN Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659646611 493228829 /nfs/dbraw/zinc/22/88/29/493228829.db2.gz KBQXRJAJUSEIQX-UHFFFAOYSA-N 0 1 350.419 0.801 10 0 FCAEMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659648813 493229403 /nfs/dbraw/zinc/22/94/03/493229403.db2.gz CJKMSHDBHGBIER-MJBXVCDLSA-N 0 1 353.463 0.840 10 0 FCAEMN C[C@@H](NC(=O)NCC(C)(C)N1CCN(C)CC1)C1(S(C)(=O)=O)CC1 ZINC000672708095 493237654 /nfs/dbraw/zinc/23/76/54/493237654.db2.gz BFINFBOAQROYNT-CYBMUJFWSA-N 0 1 360.524 0.277 10 0 FCAEMN CN1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000672730133 493241334 /nfs/dbraw/zinc/24/13/34/493241334.db2.gz LQSFCCHBOJAABY-HOCLYGCPSA-N 0 1 358.442 0.509 10 0 FCAEMN O=C([O-])C1(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000659668753 493241695 /nfs/dbraw/zinc/24/16/95/493241695.db2.gz ALZWEIOFEUVDEF-UKRRQHHQSA-N 0 1 363.458 0.833 10 0 FCAEMN Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)n[nH]1 ZINC000672747082 493243657 /nfs/dbraw/zinc/24/36/57/493243657.db2.gz OPIUOKAVACUHJE-XJKSGUPXSA-N 0 1 363.462 0.089 10 0 FCAEMN Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)n[nH]1 ZINC000672747077 493243699 /nfs/dbraw/zinc/24/36/99/493243699.db2.gz OPIUOKAVACUHJE-BBRMVZONSA-N 0 1 363.462 0.089 10 0 FCAEMN COC1(CNC(=O)C(=O)NCc2nc3ccc(C)cc3[nH]2)CCOCC1 ZINC000672751653 493244432 /nfs/dbraw/zinc/24/44/32/493244432.db2.gz HVRGAYOUAVVXQF-UHFFFAOYSA-N 0 1 360.414 0.799 10 0 FCAEMN N[C@@H]1CN(C(=O)C(=O)NCc2cccc3c2OCCCO3)CC[C@H]1F ZINC000659675075 493245363 /nfs/dbraw/zinc/24/53/63/493245363.db2.gz QWCBJCZIJHIOME-CHWSQXEVSA-N 0 1 351.378 0.362 10 0 FCAEMN C[C@@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccccc1-n1cccn1 ZINC000659676808 493246816 /nfs/dbraw/zinc/24/68/16/493246816.db2.gz JLUCZVRFZBKULP-BPLDGKMQSA-N 0 1 359.405 0.947 10 0 FCAEMN COc1ccc(OCCCNC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000659680178 493248200 /nfs/dbraw/zinc/24/82/00/493248200.db2.gz AZCPHEULXFFMJX-HUUCEWRRSA-N 0 1 353.394 0.478 10 0 FCAEMN N[C@@H]1CN(C(=O)C(=O)NCc2nc(-c3cccc(F)c3)no2)CC[C@H]1F ZINC000659685375 493251955 /nfs/dbraw/zinc/25/19/55/493251955.db2.gz LTHIFMOOYZAUOI-VXGBXAGGSA-N 0 1 365.340 0.390 10 0 FCAEMN N[C@@H]1CN(C(=O)C(=O)NCc2nc3ccccc3n2C2CC2)CC[C@H]1F ZINC000659687547 493253506 /nfs/dbraw/zinc/25/35/06/493253506.db2.gz MBXUZZANHLGZAK-CHWSQXEVSA-N 0 1 359.405 0.885 10 0 FCAEMN CC1(C)CN(C(=O)NCCCNC(=O)c2ccccc2)CCN1CCO ZINC000672808490 493253868 /nfs/dbraw/zinc/25/38/68/493253868.db2.gz PPMNSSVMGRRTGY-UHFFFAOYSA-N 0 1 362.474 0.905 10 0 FCAEMN Cn1cc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)c(-c2ccccc2)n1 ZINC000659688560 493254543 /nfs/dbraw/zinc/25/45/43/493254543.db2.gz AUJTTZJUYPEXPP-HUUCEWRRSA-N 0 1 359.405 0.601 10 0 FCAEMN CN1CCN(c2ncccc2CNC(=O)N2CC(F)(F)C[C@@H]2CO)CC1 ZINC000681957934 493257442 /nfs/dbraw/zinc/25/74/42/493257442.db2.gz FKVUUODFOSUKJA-CQSZACIVSA-N 0 1 369.416 0.745 10 0 FCAEMN O=C([C@@H]1CCc2[nH]cnc2C1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000667116755 493258915 /nfs/dbraw/zinc/25/89/15/493258915.db2.gz IDLRSLGGVFENFH-MGPQQGTHSA-N 0 1 367.471 0.709 10 0 FCAEMN COc1cccc(C(C)(C)CNC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000659698028 493259264 /nfs/dbraw/zinc/25/92/64/493259264.db2.gz VYABOVARDYBIGT-HUUCEWRRSA-N 0 1 351.422 0.987 10 0 FCAEMN N[C@@H]1CN(C(=O)C(=O)NCc2cnn(Cc3ccccc3)c2)CC[C@H]1F ZINC000659705079 493264398 /nfs/dbraw/zinc/26/43/98/493264398.db2.gz SXWUTMZOVBGHFW-HZPDHXFCSA-N 0 1 359.405 0.445 10 0 FCAEMN COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1)C2 ZINC000659705084 493264520 /nfs/dbraw/zinc/26/45/20/493264520.db2.gz TWFMEBYTRDNVOD-JHJVBQTASA-N 0 1 351.378 0.013 10 0 FCAEMN C[C@H]1CN(c2ccccc2NC(=O)C(=O)NCc2c[nH]nn2)C[C@H](C)O1 ZINC000682180147 493275481 /nfs/dbraw/zinc/27/54/81/493275481.db2.gz FFFAEDLAMWUSBE-RYUDHWBXSA-N 0 1 358.402 0.673 10 0 FCAEMN O=C(N1CCN(CC2CCCCC2)CC1)C1(n2cnnn2)CCOCC1 ZINC000667368179 493278561 /nfs/dbraw/zinc/27/85/61/493278561.db2.gz IZYCSGVGICRSJX-UHFFFAOYSA-N 0 1 362.478 0.903 10 0 FCAEMN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCN1C(=O)CN(C)C1=O ZINC000659830764 493293456 /nfs/dbraw/zinc/29/34/56/493293456.db2.gz KRDWAGWZWLRMIW-LLVKDONJSA-N 0 1 354.432 0.221 10 0 FCAEMN COC[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C[C@H](C)O1 ZINC000682411786 493298226 /nfs/dbraw/zinc/29/82/26/493298226.db2.gz ZCBCNQQFLWFCJH-SWLSCSKDSA-N 0 1 359.386 0.468 10 0 FCAEMN CCC[C@H]1CN(C(=O)NCCC2CS(=O)(=O)C2)CCN1CCOC ZINC000682480857 493302960 /nfs/dbraw/zinc/30/29/60/493302960.db2.gz HXBARKVQQTYDDC-HNNXBMFYSA-N 0 1 361.508 0.563 10 0 FCAEMN CN1CCC[C@@H](NC(=O)C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000673261269 493308412 /nfs/dbraw/zinc/30/84/12/493308412.db2.gz KCVGAVGGDICCRG-MRXNPFEDSA-N 0 1 373.432 0.881 10 0 FCAEMN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2C[C@@H](O)CC(F)(F)C2)c1 ZINC000682590370 493309881 /nfs/dbraw/zinc/30/98/81/493309881.db2.gz UQPALDUACJUZAD-VIFPVBQESA-N 0 1 364.370 0.485 10 0 FCAEMN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2C[C@H](O)CC(F)(F)C2)c1 ZINC000682590368 493309979 /nfs/dbraw/zinc/30/99/79/493309979.db2.gz UQPALDUACJUZAD-SECBINFHSA-N 0 1 364.370 0.485 10 0 FCAEMN COc1ccc(OC)c(CCCNC(=O)C(=O)N[C@H]2CCCN(C)C2)c1 ZINC000673278334 493310296 /nfs/dbraw/zinc/31/02/96/493310296.db2.gz VUIPBCBFMLMLTA-HNNXBMFYSA-N 0 1 363.458 0.963 10 0 FCAEMN CN1CCC[C@H](NC(=O)C(=O)NCc2ncc(-c3ccccc3)cn2)C1 ZINC000673329951 493317019 /nfs/dbraw/zinc/31/70/19/493317019.db2.gz SJMIHWGWEAWAAO-INIZCTEOSA-N 0 1 353.426 0.970 10 0 FCAEMN 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/nfs/dbraw/zinc/58/52/05/1264585205.db2.gz KPQGEXCZOMDWSV-BZPMIXESSA-N 0 1 359.434 0.452 10 0 FCAEMN Cn1cc(-c2ncccc2NC(=O)C(=O)N[C@@H]2CCc3nc[nH]c3C2)cn1 ZINC001324182185 1264592381 /nfs/dbraw/zinc/59/23/81/1264592381.db2.gz NBKILZZHGBNCQP-GFCCVEGCSA-N 0 1 365.397 0.817 10 0 FCAEMN Cc1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1C[C@H](C)CN1CCOCC1 ZINC001511852205 1264593905 /nfs/dbraw/zinc/59/39/05/1264593905.db2.gz AECQGGNEVOXYLC-KDOFPFPSSA-N 0 1 362.478 0.271 10 0 FCAEMN CC[C@@H]1CCO[C@@H]1C(=O)N1CCCO[C@@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001512349519 1264618139 /nfs/dbraw/zinc/61/81/39/1264618139.db2.gz DEDSXFYDIYTRLQ-KMFMINBZSA-N 0 1 364.446 0.501 10 0 FCAEMN CCN(C(=O)[C@@H]1C[C@H]1c1cncn1C)[C@H](C)CNC(=O)CN1CCCC1 ZINC001512420800 1264622393 /nfs/dbraw/zinc/62/23/93/1264622393.db2.gz MWFOSHUJYCHROJ-BZUAXINKSA-N 0 1 361.490 0.973 10 0 FCAEMN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001324382265 1264631400 /nfs/dbraw/zinc/63/14/00/1264631400.db2.gz BSAWMTMHAMAKFQ-CQSZACIVSA-N 0 1 366.381 0.656 10 0 FCAEMN O=C(CCc1c[nH]nn1)N1C[C@@H]2CCN(C(=O)CCOCC3CC3)[C@@H]2C1 ZINC001512811198 1264667011 /nfs/dbraw/zinc/66/70/11/1264667011.db2.gz IBZBDWDMDKYIKV-GOEBONIOSA-N 0 1 361.446 0.613 10 0 FCAEMN O=C(CCc1cnn[nH]1)N1C[C@@H]2CCN(C(=O)CCOCC3CC3)[C@@H]2C1 ZINC001512811198 1264667023 /nfs/dbraw/zinc/66/70/23/1264667023.db2.gz IBZBDWDMDKYIKV-GOEBONIOSA-N 0 1 361.446 0.613 10 0 FCAEMN Cc1ccc2nc(CNC(=O)C(=O)N(C)[C@H](CO)COC(C)C)[nH]c2c1 ZINC001324695132 1264687464 /nfs/dbraw/zinc/68/74/64/1264687464.db2.gz XFLCVWWUCDAFGZ-CYBMUJFWSA-N 0 1 362.430 0.732 10 0 FCAEMN C[C@@]1(CNCc2noc3c2COCC3)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001324788666 1264701114 /nfs/dbraw/zinc/70/11/14/1264701114.db2.gz KBTNWLGPZBNDOE-SOZUMNATSA-N 0 1 362.430 0.197 10 0 FCAEMN Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)COCC2CC2)C1 ZINC001512889073 1264713726 /nfs/dbraw/zinc/71/37/26/1264713726.db2.gz WPARAHMBOZOFTK-ZIAGYGMSSA-N 0 1 364.446 0.570 10 0 FCAEMN COC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3ccoc3)[nH]n2)C[C@H]1O ZINC001512904168 1264727871 /nfs/dbraw/zinc/72/78/71/1264727871.db2.gz MGUVRXFXTVNYJW-VCTAVGKDSA-N 0 1 362.386 0.254 10 0 FCAEMN O=C(C=Cc1ccc[nH]1)N[C@@H]1CN(C(=O)c2cc(C(F)F)[nH]n2)C[C@H]1O ZINC001512929883 1264747785 /nfs/dbraw/zinc/74/77/85/1264747785.db2.gz YOLOEKYUHORTMX-FGTRRKKMSA-N 0 1 365.340 0.690 10 0 FCAEMN C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1O ZINC001512953952 1264767768 /nfs/dbraw/zinc/76/77/68/1264767768.db2.gz WJZSVERPOQLQGZ-ARFHVFGLSA-N 0 1 367.490 0.223 10 0 FCAEMN CC(C)SCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC001512954425 1264768971 /nfs/dbraw/zinc/76/89/71/1264768971.db2.gz JBDHMOQRYLOPEN-KCPJHIHWSA-N 0 1 366.487 0.659 10 0 FCAEMN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C[C@H](C)O1 ZINC001334023756 1266784688 /nfs/dbraw/zinc/78/46/88/1266784688.db2.gz KFLNAHYUNHAMAI-JKJDWNRSSA-N 0 1 353.463 0.116 10 0 FCAEMN CCc1nc([C@@H](C)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)n[nH]1 ZINC001325214119 1264811610 /nfs/dbraw/zinc/81/16/10/1264811610.db2.gz NCZQNVGOXKISKL-VHDGCEQUSA-N 0 1 370.457 0.790 10 0 FCAEMN Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2O)ccc1N1CCN(C)CC1 ZINC001325332712 1264848388 /nfs/dbraw/zinc/84/83/88/1264848388.db2.gz MNKUJPQUKQCXII-NVXWUHKLSA-N 0 1 360.458 0.715 10 0 FCAEMN CCSCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001513042727 1264883542 /nfs/dbraw/zinc/88/35/42/1264883542.db2.gz WQLAESPJGCBTCU-HUUCEWRRSA-N 0 1 357.520 0.549 10 0 FCAEMN O=C(N[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1O)C1(CF)CCC1 ZINC001513075575 1264916835 /nfs/dbraw/zinc/91/68/35/1264916835.db2.gz SOCCRJCEQANMHV-ZIAGYGMSSA-N 0 1 350.394 0.728 10 0 FCAEMN CN(C(=O)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001325621593 1264948666 /nfs/dbraw/zinc/94/86/66/1264948666.db2.gz KHTDIFBDWKXNDH-BBWFWOEESA-N 0 1 372.469 0.490 10 0 FCAEMN COCCC[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001513193310 1264949993 /nfs/dbraw/zinc/94/99/93/1264949993.db2.gz BJGZUOJJIQACCB-YRGRVCCFSA-N 0 1 351.451 0.681 10 0 FCAEMN C[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1NC(=O)CN(C)c1ccccc1 ZINC001513240389 1264986999 /nfs/dbraw/zinc/98/69/99/1264986999.db2.gz NMQMNGOJXHQSQR-GDBMZVCRSA-N 0 1 370.457 0.837 10 0 FCAEMN C[C@H](Oc1ccccn1)C(=O)N[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001513256541 1264999157 /nfs/dbraw/zinc/99/91/57/1264999157.db2.gz DHGUINJZKAGPPX-FRRDWIJNSA-N 0 1 358.402 0.173 10 0 FCAEMN CN(CCNC(=O)C(=O)NC1CCC(C(N)=O)CC1)Cc1ccccc1 ZINC001325821064 1265003414 /nfs/dbraw/zinc/00/34/14/1265003414.db2.gz RRGFMXJEKSXJFP-UHFFFAOYSA-N 0 1 360.458 0.395 10 0 FCAEMN CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(C(=O)c2cc(C(F)F)[nH]n2)C[C@H]1C ZINC001513321721 1265035050 /nfs/dbraw/zinc/03/50/50/1265035050.db2.gz JUOATAVHCBQWQG-ZDSQKVDBSA-N 0 1 371.388 0.839 10 0 FCAEMN Cn1cncc1[C@@H]1C[C@H]1C(=O)N(CCO)CCNCc1ccc(F)cn1 ZINC001326097100 1265056527 /nfs/dbraw/zinc/05/65/27/1265056527.db2.gz WLDJJQNGCMIRCP-HZPDHXFCSA-N 0 1 361.421 0.668 10 0 FCAEMN CCO[C@H](C(=O)N1C[C@@H](NC(=O)CCc2cnc[nH]2)[C@H](OC)C1)C(C)C ZINC001513392799 1265091678 /nfs/dbraw/zinc/09/16/78/1265091678.db2.gz LVNAYZFYSGOTRA-INMHGKMJSA-N 0 1 366.462 0.745 10 0 FCAEMN CO[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1NC(=O)C[C@H](C)n1cccc1 ZINC001513402412 1265103027 /nfs/dbraw/zinc/10/30/27/1265103027.db2.gz CUPYRYUOBXVNPU-NUEKZKHPSA-N 0 1 359.430 0.747 10 0 FCAEMN Cc1nc(CN2CCN(C(=O)c3coc(C4CCOCC4)n3)CC2)n[nH]1 ZINC001326438068 1265113957 /nfs/dbraw/zinc/11/39/57/1265113957.db2.gz CNPHYVNBELYFFW-UHFFFAOYSA-N 0 1 360.418 0.953 10 0 FCAEMN CCc1ccoc1C(=O)N1C[C@@H](NC(=O)CCc2c[nH]nn2)[C@H](OC)C1 ZINC001513429393 1265118903 /nfs/dbraw/zinc/11/89/03/1265118903.db2.gz PHXJCLKAFJFTNO-ZIAGYGMSSA-N 0 1 361.402 0.549 10 0 FCAEMN CCc1ccoc1C(=O)N1C[C@@H](NC(=O)CCc2cnn[nH]2)[C@H](OC)C1 ZINC001513429393 1265118905 /nfs/dbraw/zinc/11/89/05/1265118905.db2.gz PHXJCLKAFJFTNO-ZIAGYGMSSA-N 0 1 361.402 0.549 10 0 FCAEMN Cc1ccccc1C(=O)N[C@@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@@H]1O ZINC001513449114 1265125880 /nfs/dbraw/zinc/12/58/80/1265125880.db2.gz SEUJCWKRRWUFEY-SJORKVTESA-N 0 1 371.441 0.828 10 0 FCAEMN CCN(C(=O)C(=O)N1CCN(CC2CCOCC2)CC1)[C@@H]1CCCOC1 ZINC001326535408 1265128820 /nfs/dbraw/zinc/12/88/20/1265128820.db2.gz ZREQTBPPZGGTJE-QGZVFWFLSA-N 0 1 367.490 0.585 10 0 FCAEMN C/C(=C/C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C[C@@H]1O)C1CC1 ZINC001513464193 1265135166 /nfs/dbraw/zinc/13/51/66/1265135166.db2.gz JKCYJXRUYDEQEZ-VFUBWDGKSA-N 0 1 358.442 0.559 10 0 FCAEMN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(=O)NCc2cn(C)nn2)C1 ZINC001326592395 1265138465 /nfs/dbraw/zinc/13/84/65/1265138465.db2.gz PEQDGSFXQGKUMZ-HIFRSBDPSA-N 0 1 356.430 0.383 10 0 FCAEMN C[C@H](Cc1cnc[nH]1)C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC001326781340 1265164059 /nfs/dbraw/zinc/16/40/59/1265164059.db2.gz MOALAZLMULNBAB-ADLMAVQZSA-N 0 1 355.398 0.959 10 0 FCAEMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@@H]1O ZINC001513526566 1265179541 /nfs/dbraw/zinc/17/95/41/1265179541.db2.gz ZLVRDPJOGCXLQA-GDPRMGEGSA-N 0 1 367.793 0.231 10 0 FCAEMN Cc1cccc(C(=O)N2C[C@@H](NC(=O)[C@H](C)Cc3cnc[nH]3)[C@@H](O)C2)c1 ZINC001513526599 1265179569 /nfs/dbraw/zinc/17/95/69/1265179569.db2.gz ZVNLNDGMWPXDGH-XYPHTWIQSA-N 0 1 356.426 0.898 10 0 FCAEMN CCN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCOCC2CC2)C[C@@H]1O ZINC001513533587 1265186274 /nfs/dbraw/zinc/18/62/74/1265186274.db2.gz XTTMORDBIKBOAW-ZACQAIPSSA-N 0 1 367.490 0.365 10 0 FCAEMN Cn1cc(CNC(=O)C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)nn1 ZINC001326913560 1265196763 /nfs/dbraw/zinc/19/67/63/1265196763.db2.gz KDPVDVJCJPXYCH-KRWDZBQOSA-N 0 1 370.457 0.775 10 0 FCAEMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC001326919699 1265199656 /nfs/dbraw/zinc/19/96/56/1265199656.db2.gz YQMZJFATBQRDLL-OWLYRPNTSA-N 0 1 373.453 0.249 10 0 FCAEMN O=C(CCCCc1cn[nH]n1)N[C@@H]1CN(C(=O)[C@H]2CC=CCC2)C[C@@H]1O ZINC001513572697 1265219231 /nfs/dbraw/zinc/21/92/31/1265219231.db2.gz PEARBQKUAKGOHB-IMJJTQAJSA-N 0 1 361.446 0.562 10 0 FCAEMN COc1nc(C(=O)O[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)cc(=O)[nH]1 ZINC001327102976 1265234736 /nfs/dbraw/zinc/23/47/36/1265234736.db2.gz KMDKRUFEYPWODM-JTQLQIEISA-N 0 1 367.358 0.290 10 0 FCAEMN O=C(N[C@@H]1CN(C(=O)c2ccn3cncc3c2)C[C@@H]1O)C1(CCF)CC1 ZINC001513600907 1265241136 /nfs/dbraw/zinc/24/11/36/1265241136.db2.gz VUXGOBVNWYQHEP-CABCVRRESA-N 0 1 360.389 0.776 10 0 FCAEMN COC[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2cc(C(C)C)[nH]n2)C[C@@H]1O ZINC001513662424 1265250891 /nfs/dbraw/zinc/25/08/91/1265250891.db2.gz CKQCQCRIZJQLNI-GLQYFDAESA-N 0 1 352.435 0.507 10 0 FCAEMN CCOCCCC(=O)N1C[C@@H](NC(=O)c2n[nH]c3ccccc32)[C@@H](O)C1 ZINC001513696600 1265261292 /nfs/dbraw/zinc/26/12/92/1265261292.db2.gz AQWNGZLRIMJGEV-CABCVRRESA-N 0 1 360.414 0.681 10 0 FCAEMN C[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)CN(C)CCc2ccccc2)[C@@H](O)C1 ZINC001513715250 1265265706 /nfs/dbraw/zinc/26/57/06/1265265706.db2.gz 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/nfs/dbraw/zinc/23/12/58/489231258.db2.gz HJWDWMLCAGZEKA-RTHVDDQRSA-N 0 1 361.442 0.260 10 0 FCAEMN COCCN1CC[C@H](NC(=O)C(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000283265812 489235282 /nfs/dbraw/zinc/23/52/82/489235282.db2.gz COQGVPAEJXZUME-INIZCTEOSA-N 0 1 371.441 0.325 10 0 FCAEMN CN1CCN(C)[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)C1 ZINC000332890297 489243138 /nfs/dbraw/zinc/24/31/38/489243138.db2.gz IQTOVGHTLPOPQY-BDXSIMOUSA-N 0 1 372.517 0.976 10 0 FCAEMN COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccnc1-n1cccn1 ZINC000369479477 489243352 /nfs/dbraw/zinc/24/33/52/489243352.db2.gz XWXLYSCLHIQAQV-CQSZACIVSA-N 0 1 372.429 0.433 10 0 FCAEMN COc1ccc(-c2n[nH]c(CNC(=O)N3CC[C@@]4(CNC(=O)C4)C3)n2)cc1 ZINC000369481608 489243635 /nfs/dbraw/zinc/24/36/35/489243635.db2.gz IZVQEYFRLHGUKH-GOSISDBHSA-N 0 1 370.413 0.902 10 0 FCAEMN COc1ccc(-c2nc(CNC(=O)N3CC[C@@]4(CNC(=O)C4)C3)n[nH]2)cc1 ZINC000369481608 489243639 /nfs/dbraw/zinc/24/36/39/489243639.db2.gz IZVQEYFRLHGUKH-GOSISDBHSA-N 0 1 370.413 0.902 10 0 FCAEMN CN1CC[C@H](NC(=O)C(=O)NCCCN2CCCC2=O)[C@H]1c1ccccc1 ZINC000283337453 489247340 /nfs/dbraw/zinc/24/73/40/489247340.db2.gz SFLNROYGJQGYBQ-FUHWJXTLSA-N 0 1 372.469 0.677 10 0 FCAEMN CC(C)CC[C@@](C)(O)CNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000369612058 489257186 /nfs/dbraw/zinc/25/71/86/489257186.db2.gz MIZRDCTZKZKRFQ-IEBWSBKVSA-N 0 1 370.538 0.879 10 0 FCAEMN C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C[C@H](C)N1CCO ZINC000369607565 489257236 /nfs/dbraw/zinc/25/72/36/489257236.db2.gz ADQQPZDVAICWRY-OWCLPIDISA-N 0 1 362.478 0.542 10 0 FCAEMN CCc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)N(C)C)cc1 ZINC000283488056 489265354 /nfs/dbraw/zinc/26/53/54/489265354.db2.gz OWTSJNOBYVZQAX-IRXDYDNUSA-N 0 1 374.485 0.705 10 0 FCAEMN COc1cccc([C@@H]2[C@@H](NC(=O)NCc3nnn(C)n3)CCN2C2CC2)c1 ZINC000369705499 489266737 /nfs/dbraw/zinc/26/67/37/489266737.db2.gz YQJYCKUNAQXDQA-DOTOQJQBSA-N 0 1 371.445 0.996 10 0 FCAEMN COc1ccccc1[C@H](CNC(=O)C(=O)N(C)[C@@H](C)CO)N1CCCC1 ZINC000283534176 489270925 /nfs/dbraw/zinc/27/09/25/489270925.db2.gz RKLWRQRWXPJWPK-HOCLYGCPSA-N 0 1 363.458 0.788 10 0 FCAEMN O=C(NCCCCN1CCN(c2ncccn2)CC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000369863046 489283866 /nfs/dbraw/zinc/28/38/66/489283866.db2.gz QJEQRUBZCQYZTL-CALCHBBNSA-N 0 1 374.489 0.952 10 0 FCAEMN Cn1cnc2c1c(=O)n(CCC[N@@H+](C)[C@@H](CO)c1ccccc1)c(=O)n2C ZINC000298094700 489289561 /nfs/dbraw/zinc/28/95/61/489289561.db2.gz KXPSBIKSHWNGMG-HNNXBMFYSA-N 0 1 371.441 0.489 10 0 FCAEMN CC1(C)CC[C@@H](CNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)O1 ZINC000369966351 489297286 /nfs/dbraw/zinc/29/72/86/489297286.db2.gz YOBUELDIXJFDIF-HOTGVXAUSA-N 0 1 354.495 0.650 10 0 FCAEMN Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000349544621 489312454 /nfs/dbraw/zinc/31/24/54/489312454.db2.gz BOQKVXXGFWAGMP-ZSBIGDGJSA-N 0 1 362.477 0.270 10 0 FCAEMN CC(C)(CNC(=O)CN[C@H](c1nnc[nH]1)c1ccccc1)N1CCOCC1 ZINC000370074422 489313672 /nfs/dbraw/zinc/31/36/72/489313672.db2.gz VLJDWMSKMDIRFT-KRWDZBQOSA-N 0 1 372.473 0.711 10 0 FCAEMN C[C@H](Cn1cncn1)NC(=O)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000285888713 489330995 /nfs/dbraw/zinc/33/09/95/489330995.db2.gz CJPJOZRDVHMXRZ-BFYDXBDKSA-N 0 1 370.457 0.420 10 0 FCAEMN COC(OC)[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000298562466 489337896 /nfs/dbraw/zinc/33/78/96/489337896.db2.gz ZPBBYLHVYNOPKU-LLVKDONJSA-N 0 1 372.443 0.914 10 0 FCAEMN CN1CCN(c2cccc(C(=O)N3CC[C@H](N4CCCC4=O)C3)n2)CC1 ZINC000555409286 491249687 /nfs/dbraw/zinc/24/96/87/491249687.db2.gz ADIVORSHBWCYDX-HNNXBMFYSA-N 0 1 357.458 0.670 10 0 FCAEMN Cc1nc([C@@H](C)NC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)n[nH]1 ZINC000286200346 489367537 /nfs/dbraw/zinc/36/75/37/489367537.db2.gz AXIZVRHFJNODQG-PSASIEDQSA-N 0 1 352.395 0.960 10 0 FCAEMN Cc1ccc2c([n-]cc(C(=O)N3CCCN(S(C)(=O)=O)CC3)c2=O)[nH+]1 ZINC000362009010 489372191 /nfs/dbraw/zinc/37/21/91/489372191.db2.gz JBPYBWGAQGAKPY-UHFFFAOYSA-N 0 1 364.427 0.751 10 0 FCAEMN CCN(CC)CCN(C(=O)/C=C/c1cnccn1)[C@H]1CCS(=O)(=O)C1 ZINC000298943137 489385323 /nfs/dbraw/zinc/38/53/23/489385323.db2.gz HMAMYZLAICUUQT-JFDDCEBESA-N 0 1 366.487 0.847 10 0 FCAEMN CCN(CCc1nccs1)S(=O)(=O)CCCN1CCN(C)CC1 ZINC000632139034 492937354 /nfs/dbraw/zinc/93/73/54/492937354.db2.gz JDJYAGGZJXDXBE-UHFFFAOYSA-N 0 1 360.549 0.975 10 0 FCAEMN C[C@](CO)(NCCNS(C)(=O)=O)c1ccc(Br)cc1 ZINC000286494523 489396894 /nfs/dbraw/zinc/39/68/94/489396894.db2.gz MAMCMQNRIAZOBS-GFCCVEGCSA-N 0 1 351.266 0.795 10 0 FCAEMN CCN(CC)CCN(C(=O)COCC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000626272691 492956085 /nfs/dbraw/zinc/95/60/85/492956085.db2.gz IMADKDNQXNALIU-LBPRGKRZSA-N 0 1 356.435 0.626 10 0 FCAEMN COc1ccc(-c2cc(C(=O)N3CC[C@](O)(C(N)=O)C3)n[nH]2)cc1OC ZINC000286595267 489408244 /nfs/dbraw/zinc/40/82/44/489408244.db2.gz WNLVEVNKDYWRPV-QGZVFWFLSA-N 0 1 360.370 0.156 10 0 FCAEMN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCCC[C@H]1CN1CCOCC1 ZINC000363169263 489432906 /nfs/dbraw/zinc/43/29/06/489432906.db2.gz MYDZQSUUASEVGT-WBVHZDCISA-N 0 1 366.506 0.299 10 0 FCAEMN O=C(NCCCCN1CCOCC1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000363215197 489439309 /nfs/dbraw/zinc/43/93/09/489439309.db2.gz CFDLQWPHAVMJQG-NEPJUHHUSA-N 0 1 351.369 0.672 10 0 FCAEMN CNC(=O)Cn1cc(NC(=O)N2CC(N(C)Cc3ccccc3)C2)cn1 ZINC000286989164 489449336 /nfs/dbraw/zinc/44/93/36/489449336.db2.gz GGEKTYJDYAWFJI-UHFFFAOYSA-N 0 1 356.430 0.977 10 0 FCAEMN CN1C[C@H](NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CCC1=O ZINC000287007782 489451816 /nfs/dbraw/zinc/45/18/16/489451816.db2.gz MQZZJYDBDIOFBA-CHWSQXEVSA-N 0 1 374.445 0.125 10 0 FCAEMN C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN(C)CCN2C)[C@H](c2ccco2)C1 ZINC000287012924 489452250 /nfs/dbraw/zinc/45/22/50/489452250.db2.gz QLYKPWBHFTVVGD-PMPSAXMXSA-N 0 1 362.474 0.941 10 0 FCAEMN CN(C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000287015979 489452500 /nfs/dbraw/zinc/45/25/00/489452500.db2.gz NEGGBJGLTUANRD-IAGOWNOFSA-N 0 1 372.469 0.456 10 0 FCAEMN Cc1cccc(NCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1C(N)=O ZINC000363360577 489457236 /nfs/dbraw/zinc/45/72/36/489457236.db2.gz JSLHSEJWHARNHB-OAHLLOKOSA-N 0 1 362.474 0.979 10 0 FCAEMN CN(C)Cc1cc(CNC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)ccc1F ZINC000287128462 489463652 /nfs/dbraw/zinc/46/36/52/489463652.db2.gz YMWYRVFPJDHGOI-AWEZNQCLSA-N 0 1 364.421 0.241 10 0 FCAEMN COC(=O)[C@H](CF)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000287327414 489477922 /nfs/dbraw/zinc/47/79/22/489477922.db2.gz GATXGUGDIPRYPU-LBPRGKRZSA-N 0 1 372.374 0.103 10 0 FCAEMN CN1CCN(c2cc(C(=O)N3CCOC[C@@H]3c3ncon3)ccn2)CC1 ZINC000371495253 489485817 /nfs/dbraw/zinc/48/58/17/489485817.db2.gz BYXMJKRLHUXFQX-CQSZACIVSA-N 0 1 358.402 0.430 10 0 FCAEMN CC[C@@H]1[C@@H](CO)CCN1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000451251060 489495320 /nfs/dbraw/zinc/49/53/20/489495320.db2.gz FCEVEZFJDNIUBR-CZUORRHYSA-N 0 1 369.487 0.968 10 0 FCAEMN C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(CCC(C)(C)C)CC2)CCO1 ZINC000414565885 489501479 /nfs/dbraw/zinc/50/14/79/489501479.db2.gz CYIUUXJJJDNEMH-CABCVRRESA-N 0 1 355.479 0.175 10 0 FCAEMN CCCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)C1 ZINC000423218928 489504891 /nfs/dbraw/zinc/50/48/91/489504891.db2.gz SMDJEXRZKPXBOV-OAGGEKHMSA-N 0 1 364.490 0.494 10 0 FCAEMN COc1cccc([C@@H]2CN(C(=O)C(=O)N3C[C@@H](C)N[C@@H](C)C3)CCO2)c1 ZINC000423263674 489509009 /nfs/dbraw/zinc/50/90/09/489509009.db2.gz XLJCVJFBHHKOMP-VBQJREDUSA-N 0 1 361.442 0.804 10 0 FCAEMN CCOC(=O)Cn1cnc(NC(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)n1 ZINC000425703764 489521521 /nfs/dbraw/zinc/52/15/21/489521521.db2.gz RFGQIKJAZVHXPI-CYBMUJFWSA-N 0 1 370.373 0.870 10 0 FCAEMN Cc1ccc2nc(CNC(=O)C(=O)NCCCN3CCCC3=O)[nH]c2c1 ZINC000555633007 491260975 /nfs/dbraw/zinc/26/09/75/491260975.db2.gz PGIJFUIGCVWQDI-UHFFFAOYSA-N 0 1 357.414 0.616 10 0 FCAEMN COc1ccc(NC(=O)C(=O)N2C[C@@H](C)NC[C@@H]2C)c(OC)c1OC ZINC000415559084 489529742 /nfs/dbraw/zinc/52/97/42/489529742.db2.gz KHWXLOXYHPBVTJ-MNOVXSKESA-N 0 1 351.403 0.860 10 0 FCAEMN CC(C)Oc1cc(NC(=O)C(=O)N2C[C@@H](C)NC[C@H]2C)ccc1C(N)=O ZINC000415571807 489531670 /nfs/dbraw/zinc/53/16/70/489531670.db2.gz UHSGPFHUQKKPPL-VXGBXAGGSA-N 0 1 362.430 0.720 10 0 FCAEMN CN(C)[C@H](CNC(=O)C(=O)NC[C@@H]1CCN(C)C(=O)C1)c1cccs1 ZINC000425870975 489536341 /nfs/dbraw/zinc/53/63/41/489536341.db2.gz XFXONGFLIDXTCS-CHWSQXEVSA-N 0 1 366.487 0.452 10 0 FCAEMN CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC000415628542 489538421 /nfs/dbraw/zinc/53/84/21/489538421.db2.gz FWYSWRSRURVYRE-GASCZTMLSA-N 0 1 374.441 0.445 10 0 FCAEMN Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1C(=O)N(C)C ZINC000415648239 489539375 /nfs/dbraw/zinc/53/93/75/489539375.db2.gz OSFVPAWDWFANMZ-GASCZTMLSA-N 0 1 358.442 0.988 10 0 FCAEMN O=C(Nc1cccc(Cn2cncn2)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000415646746 489539584 /nfs/dbraw/zinc/53/95/84/489539584.db2.gz NDZMOHUEKCWQJY-IYBDPMFKSA-N 0 1 354.414 0.618 10 0 FCAEMN Cc1cc(C[C@H](C)NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)[nH]n1 ZINC000372051378 489540431 /nfs/dbraw/zinc/54/04/31/489540431.db2.gz IBZUVXMNZCTLAP-HOCLYGCPSA-N 0 1 364.494 0.355 10 0 FCAEMN COC(=O)c1cc(CN2CCN(CCO)C[C@H]2C)cc(C(=O)OC)c1 ZINC000452128676 489548537 /nfs/dbraw/zinc/54/85/37/489548537.db2.gz MKMBYLQAUZQLBG-CYBMUJFWSA-N 0 1 350.415 0.758 10 0 FCAEMN COC(=O)c1ccc(OC[C@H](O)CN2CCN(CCO)C[C@@H]2C)cc1 ZINC000452124757 489549026 /nfs/dbraw/zinc/54/90/26/489549026.db2.gz WWMBGXPCIFCKGF-GOEBONIOSA-N 0 1 352.431 0.211 10 0 FCAEMN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000425912553 489549376 /nfs/dbraw/zinc/54/93/76/489549376.db2.gz DICGFXMORPTOKX-JFGNBEQYSA-N 0 1 351.407 0.543 10 0 FCAEMN CCN(CCNC(=O)N1CCN2CCOC[C@H]2C1)CCC(F)(F)F ZINC000425970181 489550890 /nfs/dbraw/zinc/55/08/90/489550890.db2.gz ZFTYCQNHNHBEIX-CYBMUJFWSA-N 0 1 352.401 0.987 10 0 FCAEMN CN1CC[C@H](NC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)[C@@H]1c1ccc(F)cc1 ZINC000372210704 489559160 /nfs/dbraw/zinc/55/91/60/489559160.db2.gz HWJAPHPDEXOEBH-VGWMRTNUSA-N 0 1 364.421 0.903 10 0 FCAEMN COC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000454108840 489563602 /nfs/dbraw/zinc/56/36/02/489563602.db2.gz VEFOHUZOEODFLH-LLVKDONJSA-N 0 1 373.413 0.875 10 0 FCAEMN C[C@H]1CN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)CCN1CCO ZINC000426471912 489569041 /nfs/dbraw/zinc/56/90/41/489569041.db2.gz XNZRRNLFNRVQNZ-HNNXBMFYSA-N 0 1 371.503 0.314 10 0 FCAEMN C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C[C@H]1C(=O)[O-] ZINC000563625846 491259061 /nfs/dbraw/zinc/25/90/61/491259061.db2.gz UBWNJQCOBMAVDN-TUVASFSCSA-N 0 1 351.447 0.498 10 0 FCAEMN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCN(CCO)[C@H](C)C1 ZINC000426487333 489570282 /nfs/dbraw/zinc/57/02/82/489570282.db2.gz PSVJVDCHUGCUJR-PBHICJAKSA-N 0 1 366.458 0.636 10 0 FCAEMN Cc1cc(C[C@@H](C)NC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n[nH]1 ZINC000426530135 489572939 /nfs/dbraw/zinc/57/29/39/489572939.db2.gz NSSGJXMPMRDDTJ-QGHHPUGFSA-N 0 1 362.434 0.669 10 0 FCAEMN C[C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)[C@H](C)CN1CCO ZINC000416300275 489580111 /nfs/dbraw/zinc/58/01/11/489580111.db2.gz TUGGTJAFFLIKSP-VXGBXAGGSA-N 0 1 350.444 0.372 10 0 FCAEMN C[C@@H]1CN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)[C@@H](C)CN1CCO ZINC000416301046 489580593 /nfs/dbraw/zinc/58/05/93/489580593.db2.gz UTFPJDYMLGCNHI-OLZOCXBDSA-N 0 1 354.451 0.011 10 0 FCAEMN CCn1c2ccccc2n(CC(=O)N2C[C@H](C)N(CCO)C[C@H]2C)c1=O ZINC000416304496 489581422 /nfs/dbraw/zinc/58/14/22/489581422.db2.gz ZCDGGPGCPICEDL-LSDHHAIUSA-N 0 1 360.458 0.736 10 0 FCAEMN CNS(=O)(=O)CCCN[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000426807621 489583358 /nfs/dbraw/zinc/58/33/58/489583358.db2.gz IGUBRSLWIDZEKK-CYBMUJFWSA-N 0 1 367.393 0.935 10 0 FCAEMN COCC[C@@H](COC)NC(=O)N1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000454973153 489583648 /nfs/dbraw/zinc/58/36/48/489583648.db2.gz QUMRPVAICOGRJB-KGLIPLIRSA-N 0 1 367.450 0.626 10 0 FCAEMN CCO[C@@H]1C[C@H](NC(=O)NCCN2CCCOCC2)[C@H]1n1cccn1 ZINC000455002558 489584647 /nfs/dbraw/zinc/58/46/47/489584647.db2.gz NCSAPUANIQJYJY-ARFHVFGLSA-N 0 1 351.451 0.623 10 0 FCAEMN CN(C)c1nc(N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc[nH+]1 ZINC000416450329 489594102 /nfs/dbraw/zinc/59/41/02/489594102.db2.gz XMIKFYVNTWCGQH-UKRRQHHQSA-N 0 1 355.398 1.381 10 0 FCAEMN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)O1 ZINC000372566286 489601069 /nfs/dbraw/zinc/60/10/69/489601069.db2.gz CPHQUOITUGJBRU-KKUMJFAQSA-N 0 1 372.429 0.829 10 0 FCAEMN O=C(CCN1CCN(c2ccccn2)CC1)N1CC[C@](O)(C(F)F)C1 ZINC000456099283 489607158 /nfs/dbraw/zinc/60/71/58/489607158.db2.gz ARJWITUNEGQHGP-QGZVFWFLSA-N 0 1 354.401 0.822 10 0 FCAEMN CNC(=O)c1cc(S(=O)(=O)NCc2n[nH]c(C(C)(C)C)n2)cn1C ZINC000416539927 489607586 /nfs/dbraw/zinc/60/75/86/489607586.db2.gz FPYWAOIQRPOEBI-UHFFFAOYSA-N 0 1 354.436 0.279 10 0 FCAEMN COc1nn(C)cc1NC(=O)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000427687267 489617647 /nfs/dbraw/zinc/61/76/47/489617647.db2.gz IAXDISLOPSFGBN-LBPRGKRZSA-N 0 1 365.434 0.079 10 0 FCAEMN C[C@H]1CN(S(=O)(=O)NCc2n[nH]c(-c3ccncc3)n2)C[C@H](C)O1 ZINC000416617230 489617879 /nfs/dbraw/zinc/61/78/79/489617879.db2.gz QUEZPAMCGUPTRG-QWRGUYRKSA-N 0 1 352.420 0.310 10 0 FCAEMN CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCN3CCC2CC3)cc1 ZINC000372689303 489624847 /nfs/dbraw/zinc/62/48/47/489624847.db2.gz DFNWBGPNIBJEMM-UHFFFAOYSA-N 0 1 374.441 0.447 10 0 FCAEMN CN(C)Cc1ccsc1C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000428022037 489632934 /nfs/dbraw/zinc/63/29/34/489632934.db2.gz HITGZAQSSGMICC-UHFFFAOYSA-N 0 1 374.532 0.764 10 0 FCAEMN Cn1cc(-c2[nH]ncc2C(=O)NCc2ncccc2S(C)(=O)=O)cn1 ZINC000428019070 489633142 /nfs/dbraw/zinc/63/31/42/489633142.db2.gz BXSQORDQMVUCPJ-UHFFFAOYSA-N 0 1 360.399 0.539 10 0 FCAEMN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000428041994 489634396 /nfs/dbraw/zinc/63/43/96/489634396.db2.gz KGSJNYQXROCIPD-MRVPVSSYSA-N 0 1 366.378 0.741 10 0 FCAEMN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1sccc1CN(C)C ZINC000428062467 489636040 /nfs/dbraw/zinc/63/60/40/489636040.db2.gz QZQUFPFSLBQGFF-WDEREUQCSA-N 0 1 355.460 0.996 10 0 FCAEMN COC(=O)[C@H]1CN(C)CCN(C(=O)Nc2cn(Cc3ccccc3)nn2)C1 ZINC000417021255 489638790 /nfs/dbraw/zinc/63/87/90/489638790.db2.gz MXNWHTUZCUBTAP-HNNXBMFYSA-N 0 1 372.429 0.895 10 0 FCAEMN COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC[C@@H](CO)C3CC3)cc2)[nH]1 ZINC000428141593 489639595 /nfs/dbraw/zinc/63/95/95/489639595.db2.gz NUQAUYFJGYNOEW-AWEZNQCLSA-N 0 1 373.409 0.629 10 0 FCAEMN COC(=O)c1ccc(C(=O)N2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]2C)n1C ZINC000457248301 489642110 /nfs/dbraw/zinc/64/21/10/489642110.db2.gz AMYUTIRFYRLZSM-GFCCVEGCSA-N 0 1 373.413 0.830 10 0 FCAEMN CC[C@@](COC)(NC(=O)c1ccnc(N2CCN(C)CC2)c1)C(=O)OC ZINC000457257380 489642660 /nfs/dbraw/zinc/64/26/60/489642660.db2.gz KGMBVHWDISNHAD-SFHVURJKSA-N 0 1 364.446 0.531 10 0 FCAEMN Cc1cc(N2CCC[C@H](N3CCN(Cc4n[nH]c(C)n4)CC3)C2=O)n(C)n1 ZINC000428347192 489645122 /nfs/dbraw/zinc/64/51/22/489645122.db2.gz QGUZASLJJHWCNA-HNNXBMFYSA-N 0 1 372.477 0.468 10 0 FCAEMN CC[C@H]1CN(CC)CCN1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000457414166 489645693 /nfs/dbraw/zinc/64/56/93/489645693.db2.gz ZPUIMMHAGYEWIO-AWEZNQCLSA-N 0 1 354.476 0.960 10 0 FCAEMN NC(=O)c1cccc(S(=O)(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000372879710 489647162 /nfs/dbraw/zinc/64/71/62/489647162.db2.gz RSGNBVSPMXJXKZ-CQSZACIVSA-N 0 1 357.395 0.972 10 0 FCAEMN COCCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000372901807 489649883 /nfs/dbraw/zinc/64/98/83/489649883.db2.gz SYXJCCBDOLDVCD-GASCZTMLSA-N 0 1 367.471 0.578 10 0 FCAEMN COCC[C@@H](NC(=O)c1cccc(N2CCN(C)CC2)n1)C(=O)OC ZINC000428506454 489650827 /nfs/dbraw/zinc/65/08/27/489650827.db2.gz LCADRNJPSTVEBW-CQSZACIVSA-N 0 1 350.419 0.141 10 0 FCAEMN C[C@H](NC(=O)NC[C@@H]1CN(C)CCN1C)c1ncc(Br)cn1 ZINC000555741728 491269429 /nfs/dbraw/zinc/26/94/29/491269429.db2.gz SPIZBNXIDHZPCP-CMPLNLGQSA-N 0 1 371.283 0.845 10 0 FCAEMN COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@H](C)CC(F)(F)F ZINC000457804046 489657894 /nfs/dbraw/zinc/65/78/94/489657894.db2.gz ZXBAETPHLPTEIG-GFCCVEGCSA-N 0 1 353.385 0.824 10 0 FCAEMN Cc1ccc2nc(CNC(=O)NCCNS(=O)(=O)NC(C)C)[nH]c2c1 ZINC000428633318 489659245 /nfs/dbraw/zinc/65/92/45/489659245.db2.gz ZOCXUUALINPOBZ-UHFFFAOYSA-N 0 1 368.463 0.503 10 0 FCAEMN CC(C)(C)c1nc(CNC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)n[nH]1 ZINC000458729502 489698435 /nfs/dbraw/zinc/69/84/35/489698435.db2.gz BKYTYKKEVUPGPG-WDEREUQCSA-N 0 1 372.495 0.619 10 0 FCAEMN Cc1ccc2c([n-]cc(C(=O)NCC3CN(S(C)(=O)=O)C3)c2=O)[nH+]1 ZINC000429719783 489699121 /nfs/dbraw/zinc/69/91/21/489699121.db2.gz OVLHNYFAQRXMGI-UHFFFAOYSA-N 0 1 350.400 0.265 10 0 FCAEMN CC[C@H]1CN(CC)CCN1C(=O)NC[C@H]1CCCCN1S(C)(=O)=O ZINC000458758110 489700059 /nfs/dbraw/zinc/70/00/59/489700059.db2.gz NAXBENCTZZJXJK-LSDHHAIUSA-N 0 1 360.524 0.926 10 0 FCAEMN CCOC1(C)CN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)C1 ZINC000458757429 489700358 /nfs/dbraw/zinc/70/03/58/489700358.db2.gz MOSBJXMEOPAHQH-GOOCMWNKSA-N 0 1 352.479 0.890 10 0 FCAEMN COCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)C1 ZINC000469340850 489702465 /nfs/dbraw/zinc/70/24/65/489702465.db2.gz GIXHWVUGVQZBOJ-LBPRGKRZSA-N 0 1 358.464 0.152 10 0 FCAEMN CN(C(=O)C(=O)NCCCOC[C@@H]1CCCO1)[C@@H]1CCN(C2CC2)C1 ZINC000555775882 491272380 /nfs/dbraw/zinc/27/23/80/491272380.db2.gz AHTBWNPADJZWEV-CVEARBPZSA-N 0 1 353.463 0.383 10 0 FCAEMN COC(=O)c1cc(C(C)(C)NC(=O)NCCN2CCCOCC2)no1 ZINC000458851792 489705523 /nfs/dbraw/zinc/70/55/23/489705523.db2.gz VRWNJPCFSDLHTL-UHFFFAOYSA-N 0 1 354.407 0.718 10 0 FCAEMN CC(C)c1nc(CNC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)n[nH]1 ZINC000458926441 489708746 /nfs/dbraw/zinc/70/87/46/489708746.db2.gz VXPFBGSTJVMJET-UHFFFAOYSA-N 0 1 370.479 0.684 10 0 FCAEMN C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000430051553 489717790 /nfs/dbraw/zinc/71/77/90/489717790.db2.gz LYMREKSUNXDQRF-KBPBESRZSA-N 0 1 362.478 0.545 10 0 FCAEMN C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000430051554 489717898 /nfs/dbraw/zinc/71/78/98/489717898.db2.gz LYMREKSUNXDQRF-KGLIPLIRSA-N 0 1 362.478 0.545 10 0 FCAEMN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc2cncn2c1 ZINC000459202534 489722338 /nfs/dbraw/zinc/72/23/38/489722338.db2.gz XEYCKGFMDPJQSG-NEPJUHHUSA-N 0 1 361.402 0.590 10 0 FCAEMN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459255204 489724128 /nfs/dbraw/zinc/72/41/28/489724128.db2.gz HLJNJMGSFDFKIR-ZJUUUORDSA-N 0 1 368.438 0.358 10 0 FCAEMN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NC2(c3nn[nH]n3)CC2)cc1 ZINC000430310920 489730035 /nfs/dbraw/zinc/73/00/35/489730035.db2.gz GCHDLLPZIHRIKV-JTQLQIEISA-N 0 1 365.415 0.424 10 0 FCAEMN O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NC1(c2nn[nH]n2)CC1 ZINC000430319061 489731429 /nfs/dbraw/zinc/73/14/29/489731429.db2.gz MBCNVUFHNGSVIT-UHFFFAOYSA-N 0 1 373.461 0.963 10 0 FCAEMN Cc1n[nH]cc1-c1nnc(NC(=O)c2nc3nc(C)cc(C)n3n2)s1 ZINC000376394627 489734572 /nfs/dbraw/zinc/73/45/72/489734572.db2.gz BANAYOCQLJDRJY-UHFFFAOYSA-N 0 1 355.387 1.543 10 0 FCAEMN CON1CCC([NH+](C)CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000459591189 489741609 /nfs/dbraw/zinc/74/16/09/489741609.db2.gz SSDWIMIOMSFHJS-KRWDZBQOSA-N 0 1 356.511 0.417 10 0 FCAEMN CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NC[C@@H]3CCCN3C)ccc2O1 ZINC000473900046 489741832 /nfs/dbraw/zinc/74/18/32/489741832.db2.gz FDFQLCTXAXSNOE-BBRMVZONSA-N 0 1 368.455 0.926 10 0 FCAEMN C[C@@H](CN(C)C(=O)[C@H]1CSCN1C(=O)C1CCCC1)c1nn[nH]n1 ZINC000376496767 489744555 /nfs/dbraw/zinc/74/45/55/489744555.db2.gz ZHTDLALKULDTNF-CMPLNLGQSA-N 0 1 352.464 0.853 10 0 FCAEMN COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)CCc1ccco1 ZINC000563901116 491276533 /nfs/dbraw/zinc/27/65/33/491276533.db2.gz HNISUOLFGCKWGS-HUUCEWRRSA-N 0 1 351.447 0.944 10 0 FCAEMN Cc1cc(=O)n2nccc2n1CC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000418841735 489751230 /nfs/dbraw/zinc/75/12/30/489751230.db2.gz HPQVZZURRGRDRB-OAHLLOKOSA-N 0 1 361.446 0.277 10 0 FCAEMN C[C@@H]1COCCN1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000570962428 491276674 /nfs/dbraw/zinc/27/66/74/491276674.db2.gz CKBHYRMVOFHMMD-KBAYOESNSA-N 0 1 374.485 0.385 10 0 FCAEMN O=C(CCN1CCN(c2ccccn2)CC1)NC[C@@H](CO)c1cccnc1 ZINC000490394068 489764756 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FCAEMN C[C@@]1(c2ccc(CNC(=O)CCN3CC[C@@H](F)C3)cc2)NC(=O)NC1=O ZINC001136556714 1203226059 /nfs/dbraw/zinc/22/60/59/1203226059.db2.gz KHODAMBZJUKULH-KDOFPFPSSA-N 0 1 362.405 0.791 10 0 FCAEMN O=C(Nc1cnn(-c2ccncc2)c1)[C@H]1C[C@H](O)CN1c1ccncn1 ZINC001136589899 1203230397 /nfs/dbraw/zinc/23/03/97/1203230397.db2.gz BCKRPMBXKZCBDY-LSDHHAIUSA-N 0 1 351.370 0.636 10 0 FCAEMN COCCOCCc1ncc(C(=O)N2CCC(N3CCCC3=O)CC2)[nH]1 ZINC001136710104 1203257577 /nfs/dbraw/zinc/25/75/77/1203257577.db2.gz HIRSQDZHTAYGOQ-UHFFFAOYSA-N 0 1 364.446 0.842 10 0 FCAEMN O=C(CN1Cc2c(cnn2-c2ccccc2)C1=O)NCCc1nc[nH]n1 ZINC001136780372 1203272255 /nfs/dbraw/zinc/27/22/55/1203272255.db2.gz AJDQIOJOSRDVFP-UHFFFAOYSA-N 0 1 351.370 0.305 10 0 FCAEMN O=C(Nc1ccn(-c2ccncc2)n1)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC001136823010 1203284225 /nfs/dbraw/zinc/28/42/25/1203284225.db2.gz UTYHCRCSAVPCAV-KBPBESRZSA-N 0 1 351.370 0.636 10 0 FCAEMN C[N@H+]1C[C@@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H](c2ccccc2)C1 ZINC000844049165 1203332004 /nfs/dbraw/zinc/33/20/04/1203332004.db2.gz JFDHYJDXSJNRNR-ZBFHGGJFSA-N 0 1 366.425 0.533 10 0 FCAEMN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000844225424 1204380399 /nfs/dbraw/zinc/38/03/99/1204380399.db2.gz AEGJAMXWNTXRES-XJKSGUPXSA-N 0 1 372.477 0.602 10 0 FCAEMN CCOC(=O)C1(O)CCN(C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000844307134 1204396218 /nfs/dbraw/zinc/39/62/18/1204396218.db2.gz OLZAGYDXKIGNBA-KRWDZBQOSA-N 0 1 374.478 0.994 10 0 FCAEMN O=C(Cn1cnc(-c2ccccc2)cc1=O)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC001144254836 1204442690 /nfs/dbraw/zinc/44/26/90/1204442690.db2.gz FXLJHASLLOYACM-CQSZACIVSA-N 0 1 367.369 0.024 10 0 FCAEMN O=C(CCNC(=O)N1CCc2ccccc2C1)NCc1n[nH]c(CO)n1 ZINC001148340534 1204829443 /nfs/dbraw/zinc/82/94/43/1204829443.db2.gz VDBWZRPEIXJYLM-UHFFFAOYSA-N 0 1 358.402 0.071 10 0 FCAEMN O=C(CCNC(=O)N1CCc2ccccc2C1)NCc1nnc(CO)[nH]1 ZINC001148340534 1204829446 /nfs/dbraw/zinc/82/94/46/1204829446.db2.gz VDBWZRPEIXJYLM-UHFFFAOYSA-N 0 1 358.402 0.071 10 0 FCAEMN Cc1ccc2nc(CNC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)[nH]c2c1 ZINC001148552485 1204835743 /nfs/dbraw/zinc/83/57/43/1204835743.db2.gz BPBYQUAVCNMTNT-AWEZNQCLSA-N 0 1 371.372 0.813 10 0 FCAEMN COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001175127377 1206300661 /nfs/dbraw/zinc/30/06/61/1206300661.db2.gz GCHLQSBXJMHPTD-CYBMUJFWSA-N 0 1 360.370 0.896 10 0 FCAEMN CCOC(=O)CN(C)C(=O)CN1CC[C@@](COC)(C(=O)OC(C)(C)C)C1 ZINC001175239928 1206302124 /nfs/dbraw/zinc/30/21/24/1206302124.db2.gz VYECBXHRIHJURZ-GOSISDBHSA-N 0 1 372.462 0.688 10 0 FCAEMN O=C(CC[N@@H+]1CC[C@H](c2nnn[n-]2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC001175698057 1206306737 /nfs/dbraw/zinc/30/67/37/1206306737.db2.gz KXJMZBSWILMRSN-AWEZNQCLSA-N 0 1 373.436 0.867 10 0 FCAEMN O=C(CC[N@H+]1CC[C@H](c2nnn[n-]2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC001175698057 1206306740 /nfs/dbraw/zinc/30/67/40/1206306740.db2.gz KXJMZBSWILMRSN-AWEZNQCLSA-N 0 1 373.436 0.867 10 0 FCAEMN Cc1ccc(N2C[C@H](C(=O)NC[C@@H]3CN4CCN3CCC4)CC2=O)cc1 ZINC000773526978 1206308194 /nfs/dbraw/zinc/30/81/94/1206308194.db2.gz BGUHSDBTRVTHGP-SJLPKXTDSA-N 0 1 356.470 0.854 10 0 FCAEMN Cn1c(=O)c2ccc(C(=O)NC[C@@H]3C[N@H+]4CCN3CCC4)cc2[n-]c1=S ZINC000773535613 1206309126 /nfs/dbraw/zinc/30/91/26/1206309126.db2.gz VDOCPIPUMHOBTB-CYBMUJFWSA-N 0 1 373.482 0.342 10 0 FCAEMN COC(=O)[C@@H]1O[C@@H](C(=O)NC[C@@H]2CCCC[C@@H]2N2CCOCC2)C[C@H]1C ZINC001177578580 1206343432 /nfs/dbraw/zinc/34/34/32/1206343432.db2.gz IDSSJFUENGLMAS-DRRXZNNHSA-N 0 1 368.474 0.960 10 0 FCAEMN COC[C@@H](NC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1nn[nH]n1 ZINC001177826691 1206346745 /nfs/dbraw/zinc/34/67/45/1206346745.db2.gz AAWFTVFWFRSDDF-GXTWGEPZSA-N 0 1 373.417 0.019 10 0 FCAEMN COc1ccc(C)cc1N1C[C@H](C(=O)NC[C@@H](O)c2cnc[nH]2)CC1=O ZINC001177833691 1206347935 /nfs/dbraw/zinc/34/79/35/1206347935.db2.gz MCAAOLOEFDVKJY-IUODEOHRSA-N 0 1 358.398 0.929 10 0 FCAEMN CC(C)(C)OC(=O)NC[C@]1(C(=O)NC[C@@H](O)c2cnc[nH]2)CCCOC1 ZINC001177838190 1206348387 /nfs/dbraw/zinc/34/83/87/1206348387.db2.gz TYWBDAYOILBEMQ-CXAGYDPISA-N 0 1 368.434 0.881 10 0 FCAEMN C[N@H+]1C[C@H](NC(=O)CNC(=O)c2cnc3ccccc3c2O)C(C)(C)C1 ZINC001178709639 1206363250 /nfs/dbraw/zinc/36/32/50/1206363250.db2.gz QUBLCGGTEXSNFB-HNNXBMFYSA-N 0 1 356.426 0.714 10 0 FCAEMN C[N@H+]1C[C@@H](NC(=O)CNC(=O)c2cnc3ccccc3c2O)C(C)(C)C1 ZINC001178709640 1206363358 /nfs/dbraw/zinc/36/33/58/1206363358.db2.gz QUBLCGGTEXSNFB-OAHLLOKOSA-N 0 1 356.426 0.714 10 0 FCAEMN O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)[C@@H]1CC(=O)Nc2ccccc21 ZINC001181413481 1206408379 /nfs/dbraw/zinc/40/83/79/1206408379.db2.gz PAOISFSIRVLUOQ-ZBQZNYHESA-N 0 1 359.426 0.454 10 0 FCAEMN O=C(NC[C@@]1(CO)COC[C@@H]2CCCN21)[C@@H]1CC(=O)Nc2ccccc21 ZINC001181413481 1206408381 /nfs/dbraw/zinc/40/83/81/1206408381.db2.gz PAOISFSIRVLUOQ-ZBQZNYHESA-N 0 1 359.426 0.454 10 0 FCAEMN COc1cnc(C(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)nc1 ZINC001687524044 1206412735 /nfs/dbraw/zinc/41/27/35/1206412735.db2.gz WZDOJGZTKYELJH-CHWSQXEVSA-N 0 1 358.402 0.590 10 0 FCAEMN CCn1c(C)cc2[nH]nc(NC(=O)Cc3nnn(C(C)(C)C)n3)c2c1=O ZINC001183781517 1206460484 /nfs/dbraw/zinc/46/04/84/1206460484.db2.gz TVCNMCDHSZZNTJ-UHFFFAOYSA-N 0 1 358.406 0.976 10 0 FCAEMN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCC2(CC1)OCCO2 ZINC000775046746 1206501642 /nfs/dbraw/zinc/50/16/42/1206501642.db2.gz YQPFYTOTVAGSOQ-QGZVFWFLSA-N 0 1 373.453 0.743 10 0 FCAEMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N1CCC2(CC1)OCCO2 ZINC000775046746 1206501644 /nfs/dbraw/zinc/50/16/44/1206501644.db2.gz YQPFYTOTVAGSOQ-QGZVFWFLSA-N 0 1 373.453 0.743 10 0 FCAEMN CC[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)CC(=O)N1CCO[C@@H](C)C1 ZINC001273541245 1206527258 /nfs/dbraw/zinc/52/72/58/1206527258.db2.gz UKSJQCJMNOYACE-BBWFWOEESA-N 0 1 369.506 0.829 10 0 FCAEMN O=C(OCc1ccccc1)N1C[C@@H](O)[C@H](N2CCC[C@@H](OCCO)C2)C1 ZINC001193421859 1207874250 /nfs/dbraw/zinc/87/42/50/1207874250.db2.gz IBKDHIUIBUPJEZ-KZNAEPCWSA-N 0 1 364.442 0.842 10 0 FCAEMN C[C@H]1CN(C(=O)CN2CCCCC(=O)C2=O)CC[C@H]1N1CCN(C)CC1 ZINC000867104627 1207961364 /nfs/dbraw/zinc/96/13/64/1207961364.db2.gz FCBOCPZLCYOLQG-JKSUJKDBSA-N 0 1 364.490 0.052 10 0 FCAEMN O=C(N[C@@H]1COC2(CN(CCOCC(F)F)C2)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001273703770 1208033197 /nfs/dbraw/zinc/03/31/97/1208033197.db2.gz FUJWUBUVSOMIAY-YNEHKIRRSA-N 0 1 370.400 0.754 10 0 FCAEMN CNC(=O)CN1CCCN(C[C@@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC001197960404 1208209008 /nfs/dbraw/zinc/20/90/08/1208209008.db2.gz WHNPMEAOVFWRCO-MRXNPFEDSA-N 0 1 360.458 0.661 10 0 FCAEMN COC(=O)C1(c2ccc(CN3CCN4CCOC[C@]4(CO)C3)cc2)CC1 ZINC001198164642 1208225693 /nfs/dbraw/zinc/22/56/93/1208225693.db2.gz LFTKLMMEVNICQL-LJQANCHMSA-N 0 1 360.454 0.770 10 0 FCAEMN C[C@H]1NC(=O)N(CCN2CCC(n3cnc4ccccc4c3=O)CC2)C1=O ZINC001198800213 1208294303 /nfs/dbraw/zinc/29/43/03/1208294303.db2.gz HPCZCIBNMSJKKO-CYBMUJFWSA-N 0 1 369.425 0.974 10 0 FCAEMN Cc1nc(CN2CCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)n[nH]1 ZINC000775991083 1208364278 /nfs/dbraw/zinc/36/42/78/1208364278.db2.gz IUISLKSCJCLCCV-UHFFFAOYSA-N 0 1 370.417 0.451 10 0 FCAEMN CC[C@@H]1OCC[C@H]1C(=O)N(C)CCOCCNC(=O)[C@H]1CCCN1C ZINC001487578785 1208381002 /nfs/dbraw/zinc/38/10/02/1208381002.db2.gz TXSAEUYZXMUKRR-OAGGEKHMSA-N 0 1 355.479 0.487 10 0 FCAEMN CN(CCOCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(=O)c1ccnn1C ZINC001487585960 1208382674 /nfs/dbraw/zinc/38/26/74/1208382674.db2.gz UPRVFRLHNYMDJM-CHWSQXEVSA-N 0 1 360.418 0.152 10 0 FCAEMN COc1nn(C)cc1C(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001487818749 1208400689 /nfs/dbraw/zinc/40/06/89/1208400689.db2.gz VDHURZXDVGZUDH-QJPTWQEYSA-N 0 1 360.418 0.532 10 0 FCAEMN C[C@H](CN(C)C(=O)c1cccc2n[nH]cc21)NC(=O)[C@H]1OCCO[C@H]1C ZINC001487854232 1208404319 /nfs/dbraw/zinc/40/43/19/1208404319.db2.gz JNMQNLNYMIVTKD-WQGACYEGSA-N 0 1 360.414 0.944 10 0 FCAEMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](CO)CNC(=O)[C@]12C[C@H]1COC2 ZINC001488013676 1208416234 /nfs/dbraw/zinc/41/62/34/1208416234.db2.gz NIYQSOCHGAASBF-JKDFXYPNSA-N 0 1 350.419 0.085 10 0 FCAEMN Cc1cc(C)c(C(=O)NC[C@H](CO)NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c(C)n1 ZINC001488060571 1208422177 /nfs/dbraw/zinc/42/21/77/1208422177.db2.gz HLQUHSKBSQVYNO-RBSFLKMASA-N 0 1 371.441 0.741 10 0 FCAEMN Cc1cc(C)c(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c(C)n1 ZINC001488060572 1208422200 /nfs/dbraw/zinc/42/22/00/1208422200.db2.gz HLQUHSKBSQVYNO-RRFJBIMHSA-N 0 1 371.441 0.741 10 0 FCAEMN O=C(CCc1cncs1)N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001488027181 1208423796 /nfs/dbraw/zinc/42/37/96/1208423796.db2.gz OYOKLVNYONSTAI-CYZMBNFOSA-N 0 1 363.443 0.196 10 0 FCAEMN O=C(C[C@@H]1C[C@H]1C1CC1)NC[C@H](CO)NC(=O)c1[nH]nc2c1CCCC2 ZINC001488062556 1208428047 /nfs/dbraw/zinc/42/80/47/1208428047.db2.gz ZGOYTBHEYQSLNK-GUTXKFCHSA-N 0 1 360.458 0.932 10 0 FCAEMN O=C(NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1cc2ccccn2c1 ZINC001488104567 1208431541 /nfs/dbraw/zinc/43/15/41/1208431541.db2.gz NWQNZKBBMUYCIY-NUEKZKHPSA-N 0 1 367.409 0.673 10 0 FCAEMN CC(C)NC(=O)CN[C@@]1(CO)CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001273892973 1208453056 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CN(C[C@H]1CCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(=O)CCc1ccnn1C ZINC001344164853 1270107108 /nfs/dbraw/zinc/10/71/08/1270107108.db2.gz NYWMIAGGNFSLTG-BZUAXINKSA-N 0 1 370.457 0.939 10 0 FCAEMN CC(=O)NCC(=O)N1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001572700636 1270109531 /nfs/dbraw/zinc/10/95/31/1270109531.db2.gz JSSVKOJNRZOISD-HUUCEWRRSA-N 0 1 359.430 0.314 10 0 FCAEMN CCN1CCN(c2nnc(-c3ncc(C)[nH]c3=O)n2C[C@@H]2CCOC2)CC1 ZINC001344201623 1270111807 /nfs/dbraw/zinc/11/18/07/1270111807.db2.gz YGMSAKOPWVLABO-AWEZNQCLSA-N 0 1 373.461 0.928 10 0 FCAEMN Cc1c(C(=O)N[C@@H]2CC[C@H](CNC(=O)CCc3nc[nH]n3)C2)cnn1C ZINC001344260262 1270121105 /nfs/dbraw/zinc/12/11/05/1270121105.db2.gz DTBBZCKYYGFNGY-QWHCGFSZSA-N 0 1 359.434 0.494 10 0 FCAEMN O=C(CCC1CCOCC1)NC[C@H]1CC[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001344273655 1270125814 /nfs/dbraw/zinc/12/58/14/1270125814.db2.gz LRSPKLSILVVNGL-LSDHHAIUSA-N 0 1 363.462 0.955 10 0 FCAEMN C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](CNC(=O)CN3CCCC3)C2)C1 ZINC001344275921 1270126615 /nfs/dbraw/zinc/12/66/15/1270126615.db2.gz CVDJEUBSQSQAOV-HRCADAONSA-N 0 1 364.490 0.352 10 0 FCAEMN C[C@]1(C(=O)N[C@@H]2CC[C@H](CNC(=O)CN3CCCC3)C2)CCC(=O)NC1 ZINC001344276121 1270126699 /nfs/dbraw/zinc/12/66/99/1270126699.db2.gz LOLGTWRZAILSLL-KHYOSLBOSA-N 0 1 364.490 0.400 10 0 FCAEMN Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)Cn3cc[nH+]c3C)C2)c1[O-] ZINC001344276081 1270126715 /nfs/dbraw/zinc/12/67/15/1270126715.db2.gz KIYSNYQBFFBYJL-QWHCGFSZSA-N 0 1 360.418 0.644 10 0 FCAEMN NC(=O)c1c[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)CN3CCCC3)C2)c1 ZINC001344276458 1270128205 /nfs/dbraw/zinc/12/82/05/1270128205.db2.gz YGWFJIIQSJAYSR-GXTWGEPZSA-N 0 1 361.446 0.224 10 0 FCAEMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001344279260 1270129170 /nfs/dbraw/zinc/12/91/70/1270129170.db2.gz BVOVDNAGTAPQDY-FRRDWIJNSA-N 0 1 361.446 0.255 10 0 FCAEMN CCC(=O)NCC(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001344279642 1270129341 /nfs/dbraw/zinc/12/93/41/1270129341.db2.gz QVKZTKQQVCQPCT-MELADBBJSA-N 0 1 363.462 0.516 10 0 FCAEMN O=C(COCC(F)F)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)[C@@H]2C1 ZINC001572782518 1270136183 /nfs/dbraw/zinc/13/61/83/1270136183.db2.gz NAZSPWKHETYVGT-FMCLSXCISA-N 0 1 368.384 0.854 10 0 FCAEMN CCNC(=O)CC(=O)N[C@@H]1CC[C@H](CNC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001344297846 1270138339 /nfs/dbraw/zinc/13/83/39/1270138339.db2.gz VGNLPCDSBLLGTR-QWHCGFSZSA-N 0 1 363.462 0.615 10 0 FCAEMN COC[C@@H](OC)C(=O)N1CC[C@H]2CN(C(=O)c3cc(C(C)C)[nH]n3)C[C@H]21 ZINC001572791998 1270145743 /nfs/dbraw/zinc/14/57/43/1270145743.db2.gz MVUGGTUGKKOIHU-APHBMKBZSA-N 0 1 364.446 0.867 10 0 FCAEMN CC(=O)N(C)CCCC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C1 ZINC001572794601 1270147512 /nfs/dbraw/zinc/14/75/12/1270147512.db2.gz KFVKWUPFKIRUIF-GOEBONIOSA-N 0 1 361.446 0.270 10 0 FCAEMN Cc1cccc(C(=O)N[C@@H]2CN(C(=O)CCCCc3cn[nH]n3)C[C@H]2O)c1 ZINC001572795661 1270151064 /nfs/dbraw/zinc/15/10/64/1270151064.db2.gz QLRRBOSIMJIOKU-IAGOWNOFSA-N 0 1 371.441 0.828 10 0 FCAEMN COC[C@@]1(C(=O)N[C@@H]2CC[C@H](CNC(=O)Cc3cnc[nH]3)C2)CCOC1 ZINC001344326391 1270151254 /nfs/dbraw/zinc/15/12/54/1270151254.db2.gz LYHIZUFGHNPEIP-IYOUNJFTSA-N 0 1 364.446 0.406 10 0 FCAEMN O=C(Cc1cnc[nH]1)NC[C@H]1CC[C@@H](NC(=O)c2cnn3ncccc23)C1 ZINC001344326555 1270151657 /nfs/dbraw/zinc/15/16/57/1270151657.db2.gz PUBSPIMEKZMBHP-QWHCGFSZSA-N 0 1 367.413 0.710 10 0 FCAEMN CC/C(C)=C\C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001344328351 1270153533 /nfs/dbraw/zinc/15/35/33/1270153533.db2.gz ZEJRIKLHFKMCDN-HSUQRAOQSA-N 0 1 357.418 0.619 10 0 FCAEMN CC/C(C)=C\C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001344328351 1270153537 /nfs/dbraw/zinc/15/35/37/1270153537.db2.gz ZEJRIKLHFKMCDN-HSUQRAOQSA-N 0 1 357.418 0.619 10 0 FCAEMN CCCSCC(=O)N[C@@H]1CN(C(=O)c2cc(CCC)[nH]n2)C[C@H]1O ZINC001572801136 1270159662 /nfs/dbraw/zinc/15/96/62/1270159662.db2.gz FKOIGPZXSIZFGP-ZIAGYGMSSA-N 0 1 354.476 0.807 10 0 FCAEMN C/C(=C/C(=O)N[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1O)C1CC1 ZINC001572801050 1270159802 /nfs/dbraw/zinc/15/98/02/1270159802.db2.gz BCSYTLJCVOGEKY-UFIVEKMNSA-N 0 1 358.442 0.805 10 0 FCAEMN CCO[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1CNC(=O)Cc1cc(C)n[nH]1 ZINC001344371809 1270161074 /nfs/dbraw/zinc/16/10/74/1270161074.db2.gz PCESQGGLSOCBGF-IIAWOOMASA-N 0 1 364.446 0.277 10 0 FCAEMN CCO[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1CNC(=O)[C@@H](C)OCC1CC1 ZINC001344371616 1270161595 /nfs/dbraw/zinc/16/15/95/1270161595.db2.gz IGBWOAPSBQHTAA-XNRPHZJLSA-N 0 1 364.446 0.818 10 0 FCAEMN C[C@@H]1CCN(C(=O)CCc2nc[nH]n2)[C@H](CNC(=O)Cc2cnoc2)C1 ZINC001344487868 1270187808 /nfs/dbraw/zinc/18/78/08/1270187808.db2.gz FHROSNCMKHUOFL-OCCSQVGLSA-N 0 1 360.418 0.711 10 0 FCAEMN C[C@@H]1CCN(C(=O)C(=O)NCC(F)F)[C@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001344532074 1270197039 /nfs/dbraw/zinc/19/70/39/1270197039.db2.gz TXTAKAPZNNIRFQ-PWSUYJOCSA-N 0 1 371.388 0.077 10 0 FCAEMN COCCC1(C(=O)N[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2O)CC1 ZINC001572824692 1270198598 /nfs/dbraw/zinc/19/85/98/1270198598.db2.gz QGIMRGFNJGDHDT-HUUCEWRRSA-N 0 1 367.490 0.223 10 0 FCAEMN C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001344551681 1270201831 /nfs/dbraw/zinc/20/18/31/1270201831.db2.gz FOLYAVVAWGVVBX-GJRWTSMGSA-N 0 1 364.490 0.493 10 0 FCAEMN COCCO[C@@H](C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1[nH]nnc1C ZINC001344552982 1270203103 /nfs/dbraw/zinc/20/31/03/1270203103.db2.gz PAFLHLDAAPFBKH-XBFCOCLRSA-N 0 1 367.450 0.522 10 0 FCAEMN Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CC(C)(C)CO3)C2)n[nH]1 ZINC001572841811 1270238431 /nfs/dbraw/zinc/23/84/31/1270238431.db2.gz XQUFDQRSZTWVMA-NWANDNLSSA-N 0 1 364.446 0.615 10 0 FCAEMN Cc1ccc(/C=C\CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncn[nH]3)C2)cc1 ZINC001572844377 1270245336 /nfs/dbraw/zinc/24/53/36/1270245336.db2.gz SDRRNTDMQWDPPX-OKYAQOQYSA-N 0 1 355.398 0.518 10 0 FCAEMN Cc1ccc(/C=C\CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3nc[nH]n3)C2)cc1 ZINC001572844377 1270245341 /nfs/dbraw/zinc/24/53/41/1270245341.db2.gz SDRRNTDMQWDPPX-OKYAQOQYSA-N 0 1 355.398 0.518 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)CCNC(N)=O)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001344809283 1270247237 /nfs/dbraw/zinc/24/72/37/1270247237.db2.gz MMENUZMKZAYPLW-UONOGXRCSA-N 0 1 367.494 0.272 10 0 FCAEMN CC(C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCCN3C)C2)CC1 ZINC001572845423 1270247374 /nfs/dbraw/zinc/24/73/74/1270247374.db2.gz LTLLZTLJPDNXTD-OWCLPIDISA-N 0 1 351.491 0.985 10 0 FCAEMN CCOCCC(=O)N1CC[C@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@H]1CC ZINC001344815950 1270250087 /nfs/dbraw/zinc/25/00/87/1270250087.db2.gz FYTUHHLQTMMWFI-YESZJQIVSA-N 0 1 369.506 0.877 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)CCc2cnc[nH]2)CCN1C(=O)[C@H]1CCC(=O)N1C ZINC001344849520 1270258813 /nfs/dbraw/zinc/25/88/13/1270258813.db2.gz ZFZCQYAXYSPLPP-RRFJBIMHSA-N 0 1 361.446 0.459 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)CCc2cn(C)nn2)CCN1C(=O)CN1CCCC1 ZINC001344860097 1270261948 /nfs/dbraw/zinc/26/19/48/1270261948.db2.gz OASLKKDAONYVFN-JKSUJKDBSA-N 0 1 362.478 0.339 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)C2(C(N)=O)CC2)CCN1C(=O)c1cccc2[nH]cnc21 ZINC001344928644 1270280534 /nfs/dbraw/zinc/28/05/34/1270280534.db2.gz XDBXELVGSGFTTA-GXTWGEPZSA-N 0 1 369.425 0.938 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]nn2)CCN1C(=O)CCc1cnccn1 ZINC001344961894 1270286145 /nfs/dbraw/zinc/28/61/45/1270286145.db2.gz LKCJRVDQLSIRQG-JKSUJKDBSA-N 0 1 371.445 0.656 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)CCc2cnn[nH]2)CCN1C(=O)CCc1cnccn1 ZINC001344961894 1270286146 /nfs/dbraw/zinc/28/61/46/1270286146.db2.gz LKCJRVDQLSIRQG-JKSUJKDBSA-N 0 1 371.445 0.656 10 0 FCAEMN CCN(C(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1)C1CC1 ZINC001345009906 1270297912 /nfs/dbraw/zinc/29/79/12/1270297912.db2.gz FXCJLMZQPVGZQB-UHFFFAOYSA-N 0 1 359.474 0.851 10 0 FCAEMN Cc1noc(CCNC(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)n1 ZINC001345023403 1270303470 /nfs/dbraw/zinc/30/34/70/1270303470.db2.gz UKRQXUMBVZGPLU-MRXNPFEDSA-N 0 1 371.441 0.990 10 0 FCAEMN Cc1noc(CCCC(=O)N2C[C@@H](C)[C@H](NC(=O)CN3CCCC3)C2)n1 ZINC001572893102 1270308211 /nfs/dbraw/zinc/30/82/11/1270308211.db2.gz YXPHQHMCSHTJMT-UKRRQHHQSA-N 0 1 363.462 0.760 10 0 FCAEMN Cc1nn(C)c(F)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001572901758 1270324834 /nfs/dbraw/zinc/32/48/34/1270324834.db2.gz LFCSWYTUPNPYSC-ZWNOBZJWSA-N 0 1 362.409 0.800 10 0 FCAEMN CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C(C)(C)CN2CCOCC2)C1 ZINC001572903616 1270328301 /nfs/dbraw/zinc/32/83/01/1270328301.db2.gz DNWHHDKIPHXRJW-BZUAXINKSA-N 0 1 369.506 0.733 10 0 FCAEMN C[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1NC(=O)CN(C)c1ccccc1 ZINC001572904026 1270329569 /nfs/dbraw/zinc/32/95/69/1270329569.db2.gz OXHPGLLODRRUGO-UKRRQHHQSA-N 0 1 371.441 0.839 10 0 FCAEMN Cc1ncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)CCOC[C@@H]3CCCO3)C2)[nH]1 ZINC001572906709 1270332902 /nfs/dbraw/zinc/33/29/02/1270332902.db2.gz VKQFRBDPNQDWGC-IVMMDQJWSA-N 0 1 364.446 0.881 10 0 FCAEMN 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CCOc1cc(C(=O)N2C[C@@H](CNC(=O)CN3CCCC3)[C@H](C)C2)[nH]n1 ZINC001282481282 1261475731 /nfs/dbraw/zinc/47/57/31/1261475731.db2.gz BNYUPHBTBSDUPX-ZIAGYGMSSA-N 0 1 363.462 0.729 10 0 FCAEMN C[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1CNC(=O)CCCn1ccnc1 ZINC001282492953 1261484449 /nfs/dbraw/zinc/48/44/49/1261484449.db2.gz MTRSIJMTRQDRCB-HUUCEWRRSA-N 0 1 358.446 0.840 10 0 FCAEMN C[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1CNC(=O)CCCn1ccccc1=O ZINC001282501289 1261490632 /nfs/dbraw/zinc/49/06/32/1261490632.db2.gz FMVLPFJHGCRCJA-HUUCEWRRSA-N 0 1 371.441 0.876 10 0 FCAEMN O=C(Cc1cnoc1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCCc1cn[nH]n1 ZINC001522199318 1266413303 /nfs/dbraw/zinc/41/33/03/1266413303.db2.gz DGOMEXXXTOLKBJ-PMPSAXMXSA-N 0 1 372.429 0.996 10 0 FCAEMN C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001282505051 1261492274 /nfs/dbraw/zinc/49/22/74/1261492274.db2.gz SOAZBCKDAZJECS-SNUQEOBHSA-N 0 1 361.446 0.079 10 0 FCAEMN COCCCS(=O)(=O)NCCN1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001473786841 1261497959 /nfs/dbraw/zinc/49/79/59/1261497959.db2.gz OKAJHNNOMHGWCH-ZWKOTPCHSA-N 0 1 368.499 0.842 10 0 FCAEMN Cc1cccc(OCC(=O)N2C[C@@H](CNC(=O)Cc3nnc[nH]3)[C@H](C)C2)c1 ZINC001282517688 1261500653 /nfs/dbraw/zinc/50/06/53/1261500653.db2.gz FOWHQYPMTUKFAY-HUUCEWRRSA-N 0 1 371.441 0.945 10 0 FCAEMN C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@H]1CCNC(=O)Cn1cccn1 ZINC001282521044 1261502603 /nfs/dbraw/zinc/50/26/03/1261502603.db2.gz HXGIJBHKAGWVLL-ZACQAIPSSA-N 0 1 361.490 0.968 10 0 FCAEMN C[C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@H]1CCNC(=O)CC(N)=O ZINC001282529094 1261508532 /nfs/dbraw/zinc/50/85/32/1261508532.db2.gz KHYPYHPMCQKFNS-GHMZBOCLSA-N 0 1 358.402 0.048 10 0 FCAEMN Cc1ccnn1CC(=O)NCC[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001282540238 1261516069 /nfs/dbraw/zinc/51/60/69/1261516069.db2.gz QKJMHDISTILINF-TZMCWYRMSA-N 0 1 359.434 0.153 10 0 FCAEMN Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnn[nH]2)C1 ZINC001282547285 1261521764 /nfs/dbraw/zinc/52/17/64/1261521764.db2.gz LGZJAYROBLIQJQ-MWLCHTKSSA-N 0 1 359.390 0.137 10 0 FCAEMN C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1CCNC(=O)CCc1ccncc1 ZINC001282549580 1261523787 /nfs/dbraw/zinc/52/37/87/1261523787.db2.gz VQUGCHIYRXIWHN-GDBMZVCRSA-N 0 1 370.457 0.976 10 0 FCAEMN CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1N(C(=O)Cc1ccn[nH]1)CC2 ZINC001282576825 1261538712 /nfs/dbraw/zinc/53/87/12/1261538712.db2.gz ZAIBVZZMNICOAV-RDTXWAMCSA-N 0 1 361.446 0.366 10 0 FCAEMN O=C(CCc1c[nH]nn1)NC[C@]12CCC[C@H]1N(C(=O)[C@]13C[C@H]1COC3)CC2 ZINC001282584488 1261541495 /nfs/dbraw/zinc/54/14/95/1261541495.db2.gz HPNTYSPCVBLIHB-LZBRWLDZSA-N 0 1 373.457 0.661 10 0 FCAEMN O=C(CCc1cnn[nH]1)NC[C@]12CCC[C@H]1N(C(=O)[C@]13C[C@H]1COC3)CC2 ZINC001282584488 1261541503 /nfs/dbraw/zinc/54/15/03/1261541503.db2.gz HPNTYSPCVBLIHB-LZBRWLDZSA-N 0 1 373.457 0.661 10 0 FCAEMN CC(=O)N(C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1C)C2 ZINC001282614420 1261551024 /nfs/dbraw/zinc/55/10/24/1261551024.db2.gz ZEQGYVQVIBLWIE-LTIDMASMSA-N 0 1 364.490 0.587 10 0 FCAEMN Cn1cc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2cnc[nH]2)nn1 ZINC001282650530 1261568395 /nfs/dbraw/zinc/56/83/95/1261568395.db2.gz DVGBFSAMODLOQI-PMPSAXMXSA-N 0 1 371.445 0.352 10 0 FCAEMN Cn1ccc(CCC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2nc[nH]n2)C3)n1 ZINC001282714279 1261594956 /nfs/dbraw/zinc/59/49/56/1261594956.db2.gz OLUVDYDOYYTNRJ-KFWWJZLASA-N 0 1 371.445 0.352 10 0 FCAEMN C[C@H](CN1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccncn1 ZINC001282731014 1261603273 /nfs/dbraw/zinc/60/32/73/1261603273.db2.gz MSEZKMFRCNEBLL-SRABZTEZSA-N 0 1 373.457 0.307 10 0 FCAEMN C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(CF)CC1 ZINC001282731219 1261603465 /nfs/dbraw/zinc/60/34/65/1261603465.db2.gz UQDBPLINISVBBV-JJXSEGSLSA-N 0 1 367.465 0.953 10 0 FCAEMN Cc1cnc(COCC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnn[nH]2)C3)o1 ZINC001282761707 1261616527 /nfs/dbraw/zinc/61/65/27/1261616527.db2.gz QUTQPDURGQYYTI-WZRBSPASSA-N 0 1 360.374 0.180 10 0 FCAEMN O=C(CCc1ncccn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1c[nH]nn1 ZINC001282780028 1261625706 /nfs/dbraw/zinc/62/57/06/1261625706.db2.gz UKBYGBUMTPEAFF-KFWWJZLASA-N 0 1 369.429 0.408 10 0 FCAEMN O=C(CCc1ncccn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1cnn[nH]1 ZINC001282780028 1261625712 /nfs/dbraw/zinc/62/57/12/1261625712.db2.gz UKBYGBUMTPEAFF-KFWWJZLASA-N 0 1 369.429 0.408 10 0 FCAEMN NC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001282783893 1261627462 /nfs/dbraw/zinc/62/74/62/1261627462.db2.gz UOSWNDUATBUYFT-SKENRDBWSA-N 0 1 357.414 0.027 10 0 FCAEMN O=C(Cc1c[nH]cn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCCc1cn[nH]n1 ZINC001282796379 1261632667 /nfs/dbraw/zinc/63/26/67/1261632667.db2.gz MHVIPDYRXGTTLJ-OAGGEKHMSA-N 0 1 371.445 0.731 10 0 FCAEMN COCCO[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001345144642 1261640399 /nfs/dbraw/zinc/64/03/99/1261640399.db2.gz FCWTZGIHXKNNAU-ZNMIVQPWSA-N 0 1 364.446 0.311 10 0 FCAEMN Cc1nn[nH]c1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CCc2cn[nH]c2)C1 ZINC001282814545 1261641388 /nfs/dbraw/zinc/64/13/88/1261641388.db2.gz MNPSVPODXOYNDF-GUYCJALGSA-N 0 1 357.418 0.580 10 0 FCAEMN CO[C@@H](C)CC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001282835517 1261650426 /nfs/dbraw/zinc/65/04/26/1261650426.db2.gz AXYFPNSMKIPOGE-LXIYXOSZSA-N 0 1 364.446 0.909 10 0 FCAEMN O=C(CN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@@H]2C1)NCC1CCC1 ZINC001282861739 1261661080 /nfs/dbraw/zinc/66/10/80/1261661080.db2.gz RBFIWLGXRQOHNH-HHARLNAUSA-N 0 1 371.485 0.724 10 0 FCAEMN NC(=O)c1ccccc1CC(=O)NCCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001283289108 1261676434 /nfs/dbraw/zinc/67/64/34/1261676434.db2.gz ZDOWNKMTUHRJTH-HUUCEWRRSA-N 0 1 369.425 0.477 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)CCCn2cccn2)CCN1C(=O)C1=NC(=O)N(C)C1 ZINC001345373425 1261688381 /nfs/dbraw/zinc/68/83/81/1261688381.db2.gz DRBDYBLXFJPXLT-OLZOCXBDSA-N 0 1 360.418 0.522 10 0 FCAEMN CCO[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc3cncn3c2)[C@@]12CCCO2 ZINC001345377302 1261689405 /nfs/dbraw/zinc/68/94/05/1261689405.db2.gz IORYQWMNNAWZNY-MDZRGWNJSA-N 0 1 372.425 0.793 10 0 FCAEMN CC[C@@H]1OCC[C@H]1C(=O)NCCCN(C)C(=O)[C@H](C)CN1CCOCC1 ZINC001283615479 1261694336 /nfs/dbraw/zinc/69/43/36/1261694336.db2.gz FTEQVQMVPGNTCK-ZACQAIPSSA-N 0 1 369.506 0.735 10 0 FCAEMN CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)[C@@H]1C ZINC001345408390 1261697655 /nfs/dbraw/zinc/69/76/55/1261697655.db2.gz LZWCVQMTYGJQIW-LOWVWBTDSA-N 0 1 361.446 0.921 10 0 FCAEMN CCOCCO[C@H]1CCN(C(=O)C(=O)NCc2ccc3cncn3c2)C1 ZINC001345423364 1261703171 /nfs/dbraw/zinc/70/31/71/1261703171.db2.gz OKDOZPBBYKEGLX-INIZCTEOSA-N 0 1 360.414 0.605 10 0 FCAEMN O=C(NCCCN(C(=O)[C@H]1COC(=O)N1)C1CC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001283795505 1261706573 /nfs/dbraw/zinc/70/65/73/1261706573.db2.gz RGFRRTBIJQCUNK-YRGRVCCFSA-N 0 1 361.402 0.119 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCN2C)CCN1C(=O)CCCn1cncn1 ZINC001345468515 1261714447 /nfs/dbraw/zinc/71/44/47/1261714447.db2.gz SBNDACSPHHNGQI-OWCLPIDISA-N 0 1 362.478 0.648 10 0 FCAEMN O=C(CN1CCCC1=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1 ZINC001283917758 1261717524 /nfs/dbraw/zinc/71/75/24/1261717524.db2.gz NHBWUXDTMJSHMA-MCIONIFRSA-N 0 1 359.430 0.147 10 0 FCAEMN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](CNC(=O)CCc2cnc[nH]2)C2CC2)C1 ZINC001283945757 1261721591 /nfs/dbraw/zinc/72/15/91/1261721591.db2.gz VGSBAUNJWXYLLQ-VNHYZAJKSA-N 0 1 361.446 0.255 10 0 FCAEMN O=C(CCCn1cncn1)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001284095416 1261732226 /nfs/dbraw/zinc/73/22/26/1261732226.db2.gz BDLBVJQBJFSKJJ-XJFOESAGSA-N 0 1 357.418 0.349 10 0 FCAEMN O=C(CCCn1cccn1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001284166996 1261735966 /nfs/dbraw/zinc/73/59/66/1261735966.db2.gz VGKXGEPUJHIPQF-LSPIHWNJSA-N 0 1 368.441 0.763 10 0 FCAEMN C[C@H](CNC(=O)CCNC(=O)C(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001284296348 1261745509 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CN1C(=O)C[C@H](C(=O)NCC(C)(C)N2CCN(C)CC2)[C@@H]1c1cccnc1 ZINC001318857900 1263617740 /nfs/dbraw/zinc/61/77/40/1263617740.db2.gz PCAHOFXUDPJTKP-WMZOPIPTSA-N 0 1 373.501 0.743 10 0 FCAEMN C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)NC(=O)c1ccc2nnnn2c1 ZINC001580386856 1278209061 /nfs/dbraw/zinc/20/90/61/1278209061.db2.gz WHSSPAPJIWRTTE-RAIGVLPGSA-N 0 1 368.401 0.276 10 0 FCAEMN C[C@H](CCNC(=O)[C@H]1C[C@H]1C(N)=O)NCc1cc(C(F)(F)F)n(C)n1 ZINC001492085481 1263638253 /nfs/dbraw/zinc/63/82/53/1263638253.db2.gz WLMPBQNQEITXNK-IEBDPFPHSA-N 0 1 361.368 0.545 10 0 FCAEMN CN(CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C[C@@H](O)c1ccc(F)cc1 ZINC001492352116 1263648151 /nfs/dbraw/zinc/64/81/51/1263648151.db2.gz CWRKJSOZTUPMGF-DZJNRPSUSA-N 0 1 366.433 0.959 10 0 FCAEMN Cn1ncc2c1nc(CCC(=O)NCCCCN1CCOCC1)[nH]c2=O ZINC001319115460 1263653276 /nfs/dbraw/zinc/65/32/76/1263653276.db2.gz OMHAFLYDFFNPNA-UHFFFAOYSA-N 0 1 362.434 0.230 10 0 FCAEMN CN1CCN(Cc2ccc(C(=O)N3C[C@H](CCO)[C@H](CO)C3)cc2)CC1 ZINC001522643300 1266568509 /nfs/dbraw/zinc/56/85/09/1266568509.db2.gz BFYTXSULEVAWJX-OALUTQOASA-N 0 1 361.486 0.497 10 0 FCAEMN Cc1ccoc1C(=O)NCCN1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001493149130 1263706119 /nfs/dbraw/zinc/70/61/19/1263706119.db2.gz TZLAUFLJFAMBSL-HUUCEWRRSA-N 0 1 371.441 0.989 10 0 FCAEMN CCCN(CCNC(=O)[C@@H]1C[C@H]1c1ccncc1)[C@@H]1CCC(=O)NC1=O ZINC001493290222 1263715603 /nfs/dbraw/zinc/71/56/03/1263715603.db2.gz DXKZBZGOITXYGB-ARFHVFGLSA-N 0 1 358.442 0.819 10 0 FCAEMN CC(C)S(=O)(=O)CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001493315879 1263716706 /nfs/dbraw/zinc/71/67/06/1263716706.db2.gz ISAOQQOBEXRDAI-YNEHKIRRSA-N 0 1 368.459 0.054 10 0 FCAEMN O=C(CCn1ccnn1)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1 ZINC001493539956 1263724468 /nfs/dbraw/zinc/72/44/68/1263724468.db2.gz LMGIFPDGVZKJJT-MGPQQGTHSA-N 0 1 357.418 0.206 10 0 FCAEMN O=C(N[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1)c1ccc(=O)[nH]n1 ZINC001493607520 1263731515 /nfs/dbraw/zinc/73/15/15/1263731515.db2.gz WJJPIIICOKIJOC-WZRBSPASSA-N 0 1 356.386 0.334 10 0 FCAEMN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)n[nH]1 ZINC001319959779 1263747219 /nfs/dbraw/zinc/74/72/19/1263747219.db2.gz IQCXXFVFKOONSZ-WCQYABFASA-N 0 1 360.418 0.637 10 0 FCAEMN COC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC001320053944 1263760011 /nfs/dbraw/zinc/76/00/11/1263760011.db2.gz JRSNFLFNYGNLAR-KBPBESRZSA-N 0 1 357.370 0.664 10 0 FCAEMN C[C@@H](CNC(=O)c1ccc2[nH]nnc2c1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001494715732 1263777555 /nfs/dbraw/zinc/77/75/55/1263777555.db2.gz LJDZRTWEORDSKK-PQPNXTLLSA-N 0 1 355.398 0.616 10 0 FCAEMN Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC001320590946 1263821149 /nfs/dbraw/zinc/82/11/49/1263821149.db2.gz GERWOSZULSSSIA-AWEZNQCLSA-N 0 1 366.385 0.698 10 0 FCAEMN Cc1c(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)ccc2cncn21 ZINC001320690523 1263839767 /nfs/dbraw/zinc/83/97/67/1263839767.db2.gz HILNBRNQFPLWIB-UHFFFAOYSA-N 0 1 371.441 0.259 10 0 FCAEMN O=C(NCc1c[nH]nn1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC001320704121 1263841432 /nfs/dbraw/zinc/84/14/32/1263841432.db2.gz UAJDXPTVVCQBOT-ZDUSSCGKSA-N 0 1 358.358 0.177 10 0 FCAEMN CC(C)C[C@H](CNCc1cc2n(n1)CCCC2)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001496285834 1263869936 /nfs/dbraw/zinc/86/99/36/1263869936.db2.gz AGLJBRHLMYOKSF-XYPHTWIQSA-N 0 1 361.490 0.961 10 0 FCAEMN CCN(CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(=O)CCc1ccnn1C ZINC001496814571 1263900641 /nfs/dbraw/zinc/90/06/41/1263900641.db2.gz QOADQFQIISWSIE-HUUCEWRRSA-N 0 1 358.446 0.844 10 0 FCAEMN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)Nc1cnccn1 ZINC001497022520 1263912659 /nfs/dbraw/zinc/91/26/59/1263912659.db2.gz OAOXADGMSOMGML-LJISPDSOSA-N 0 1 361.446 0.308 10 0 FCAEMN CCCN(CCNC(=O)Cc1nnc[nH]1)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001497349208 1263928110 /nfs/dbraw/zinc/92/81/10/1263928110.db2.gz DYZUMPYIFPCOOS-LSDHHAIUSA-N 0 1 363.462 0.765 10 0 FCAEMN Cn1cc(CCC(=O)NCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C2CC2)cn1 ZINC001497461746 1263933916 /nfs/dbraw/zinc/93/39/16/1263933916.db2.gz CZYXKDJVPIAUBI-HZPDHXFCSA-N 0 1 370.457 0.987 10 0 FCAEMN Cc1nc(CC(=O)NCCCN(C(=O)[C@H]2OCCO[C@H]2C)C(C)C)n[nH]1 ZINC001497648524 1263944986 /nfs/dbraw/zinc/94/49/86/1263944986.db2.gz WWXDPLOJXUBIFO-LRDDRELGSA-N 0 1 367.450 0.203 10 0 FCAEMN COC(=O)N1CCCN(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 ZINC001321368332 1263946459 /nfs/dbraw/zinc/94/64/59/1263946459.db2.gz DOCBBUFCOSYSBG-INIZCTEOSA-N 0 1 370.494 0.234 10 0 FCAEMN C[C@H]1CCCN(C(=O)CNC/C=C/CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001497677874 1263947324 /nfs/dbraw/zinc/94/73/24/1263947324.db2.gz BWCWUIMXQZVPJT-XHGITSKISA-N 0 1 364.490 0.409 10 0 FCAEMN O=C([O-])c1cccc(N2C(=O)C[C@H]([N@H+]3CC[C@@]4(CNC(=O)C4)C3)C2=O)c1 ZINC001321393845 1263951402 /nfs/dbraw/zinc/95/14/02/1263951402.db2.gz UBPARPXGYBURHE-SCLBCKFNSA-N 0 1 357.366 0.229 10 0 FCAEMN O=C(Nc1cnn(-c2ccncc2)c1)C(=O)N1CC[C@@H](n2cncn2)C1 ZINC001321462035 1263966523 /nfs/dbraw/zinc/96/65/23/1263966523.db2.gz INLOKXIPYLGKJX-CQSZACIVSA-N 0 1 352.358 0.271 10 0 FCAEMN CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCC(C)(C)O1)N1CCN(C)CC1 ZINC001321486280 1263970754 /nfs/dbraw/zinc/97/07/54/1263970754.db2.gz UAEKDTDHOQVGGT-HZPDHXFCSA-N 0 1 368.522 0.448 10 0 FCAEMN CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)O1)N1CCN(C)CC1 ZINC001321486282 1263971194 /nfs/dbraw/zinc/97/11/94/1263971194.db2.gz UAEKDTDHOQVGGT-JKSUJKDBSA-N 0 1 368.522 0.448 10 0 FCAEMN C[C@H](NCCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O)c1cn(-c2ccccc2)nn1 ZINC001498612117 1263980929 /nfs/dbraw/zinc/98/09/29/1263980929.db2.gz HGOXLEUGJPIGBF-IMJJTQAJSA-N 0 1 370.457 0.888 10 0 FCAEMN O=C(COCc1ccncc1)NCC1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001498665465 1263982177 /nfs/dbraw/zinc/98/21/77/1263982177.db2.gz AAHOVIQNKWGPGO-HZPDHXFCSA-N 0 1 369.425 0.700 10 0 FCAEMN O=C(CNC[C@@H](NC(=O)[C@]12C[C@H]1COC2)C1CC1)Nc1nccs1 ZINC001498757795 1263986755 /nfs/dbraw/zinc/98/67/55/1263986755.db2.gz DGFDBYQSBMOWJP-OZVIIMIRSA-N 0 1 350.444 0.603 10 0 FCAEMN CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)NC(=O)c1ccnc(OC)n1 ZINC001499171267 1264009987 /nfs/dbraw/zinc/00/99/87/1264009987.db2.gz AWWRXTDORTZZCJ-IJLUTSLNSA-N 0 1 358.402 0.637 10 0 FCAEMN Cc1ccc(NC(=O)CNC[C@@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1 ZINC001321644879 1264021539 /nfs/dbraw/zinc/02/15/39/1264021539.db2.gz FHICXARLSWSUGE-VHDGCEQUSA-N 0 1 362.430 0.061 10 0 FCAEMN Cn1ccc(N2CC[C@H](NC3(CNC(=O)[C@@H]4C[C@H]4C4CC4)CC3)C2=O)n1 ZINC001499377868 1264027490 /nfs/dbraw/zinc/02/74/90/1264027490.db2.gz SULCEUWHTQKTRY-ZNMIVQPWSA-N 0 1 357.458 0.810 10 0 FCAEMN CCNC(=O)CN(CCOC)C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001499535841 1264035189 /nfs/dbraw/zinc/03/51/89/1264035189.db2.gz PIJJBJJVZBGICA-KSSFIOAISA-N 0 1 353.463 0.098 10 0 FCAEMN Cn1cc(CC(=O)N[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C2CC2)cn1 ZINC001499593096 1264036493 /nfs/dbraw/zinc/03/64/93/1264036493.db2.gz HHWADCBHKCDZKL-SPYBWZPUSA-N 0 1 370.457 0.891 10 0 FCAEMN CCOC(=O)C[C@H]1CCCN1C(=O)C(=O)NCCCCN1CCOCC1 ZINC001321750282 1264051482 /nfs/dbraw/zinc/05/14/82/1264051482.db2.gz BHFFNPQKRVEAOJ-OAHLLOKOSA-N 0 1 369.462 0.159 10 0 FCAEMN CC(C)C[C@H]1OCCC[C@H]1NC(=O)C(=O)NCCCCN1CCOCC1 ZINC001321751637 1264051545 /nfs/dbraw/zinc/05/15/45/1264051545.db2.gz KQQXFDAQGQMZNM-IAGOWNOFSA-N 0 1 369.506 0.925 10 0 FCAEMN C[C@@H](CNC(=O)c1cnn2cccnc12)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001500281476 1264061818 /nfs/dbraw/zinc/06/18/18/1264061818.db2.gz DBCZAXVREKFFPJ-JHJVBQTASA-N 0 1 367.413 0.738 10 0 FCAEMN COc1cc(C(=O)NC[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)nn1C ZINC001500282992 1264062342 /nfs/dbraw/zinc/06/23/42/1264062342.db2.gz PERJWHZCGFKMCC-IJLUTSLNSA-N 0 1 360.418 0.438 10 0 FCAEMN C[C@H](CNC(=O)c1[nH]ncc1F)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001500318653 1264063982 /nfs/dbraw/zinc/06/39/82/1264063982.db2.gz DSAUSNKJVRKCDD-YAMSLAJTSA-N 0 1 354.382 0.082 10 0 FCAEMN Cc1nonc1CNC[C@@]1(C)CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001500363680 1264066317 /nfs/dbraw/zinc/06/63/17/1264066317.db2.gz BEGDXLUACNUDOS-KJGCVMFHSA-N 0 1 364.446 0.758 10 0 FCAEMN Cc1cnc(CNC[C@]2(C)CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)o1 ZINC001500378706 1264067754 /nfs/dbraw/zinc/06/77/54/1264067754.db2.gz VURWDAOQRAWXLS-AHIWAGSCSA-N 0 1 350.419 0.344 10 0 FCAEMN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@]1(O)CCN(CCc2ccc(F)c(F)c2)C1 ZINC001500725692 1264083273 /nfs/dbraw/zinc/08/32/73/1264083273.db2.gz SUMJRKQSMTWDEM-VBHSOAQHSA-N 0 1 367.396 0.182 10 0 FCAEMN COc1cc(CN2CC[C@](O)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)ccn1 ZINC001500702338 1264083949 /nfs/dbraw/zinc/08/39/49/1264083949.db2.gz ZAUZTBBPMIQECA-ZMSPIWPASA-N 0 1 373.453 0.567 10 0 FCAEMN NC(=O)c1cccc(CN2CC[C@](O)(CNC(=O)[C@@H]3C[C@H]3C3CC3)C2)c1 ZINC001500735646 1264085593 /nfs/dbraw/zinc/08/55/93/1264085593.db2.gz FDYRHHDIIWWKNB-QKLQHJQFSA-N 0 1 357.454 0.885 10 0 FCAEMN CN1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC001321913503 1264097508 /nfs/dbraw/zinc/09/75/08/1264097508.db2.gz MGFFOBSCWLGOJD-MUJYYYPQSA-N 0 1 357.458 0.364 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CN1CCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C(=O)NCC3CC3)C[C@H]21 ZINC001343908217 1270048693 /nfs/dbraw/zinc/04/86/93/1270048693.db2.gz ZQDQZLSLUSSLGQ-OWCLPIDISA-N 0 1 362.474 0.056 10 0 FCAEMN CNC(=O)CCCCC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C)[C@@H]2C1 ZINC001343944951 1270058341 /nfs/dbraw/zinc/05/83/41/1270058341.db2.gz PIPQWHQEVAFBFI-BZUAXINKSA-N 0 1 364.490 0.446 10 0 FCAEMN CN(C[C@H](O)CNC(=O)c1sccc1F)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001572483341 1270068914 /nfs/dbraw/zinc/06/89/14/1270068914.db2.gz UCSUDDUBFVCKDT-GMTAPVOTSA-N 0 1 366.418 0.963 10 0 FCAEMN CN(C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1ccco1)C(=O)C1=NC(=O)N(C)C1 ZINC001572488680 1270072004 /nfs/dbraw/zinc/07/20/04/1270072004.db2.gz HWDSQAWFUPMFQD-QJPTWQEYSA-N 0 1 362.386 0.072 10 0 FCAEMN CC(C)N(CCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(=O)Cc1ncn[nH]1 ZINC001572513589 1270086855 /nfs/dbraw/zinc/08/68/55/1270086855.db2.gz SDOJAYVETUZABO-RBUCKAEESA-N 0 1 361.446 0.466 10 0 FCAEMN COCCN(CCNC(=O)c1ccccn1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001572536162 1270090648 /nfs/dbraw/zinc/09/06/48/1270090648.db2.gz ZZLISGGWTROSKV-ZIAGYGMSSA-N 0 1 357.414 0.813 10 0 FCAEMN COCCN(CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(=O)[C@@]1(C)CCOC1 ZINC001572539387 1270092453 /nfs/dbraw/zinc/09/24/53/1270092453.db2.gz FXVRRLJDABZTNP-LBTNJELSSA-N 0 1 364.446 0.531 10 0 FCAEMN CN(C)C(=O)C1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCN2C)CC1 ZINC001344135795 1270103509 /nfs/dbraw/zinc/10/35/09/1270103509.db2.gz SPVIWDQMJLRMFC-RBSFLKMASA-N 0 1 364.490 0.493 10 0 FCAEMN Cc1nn(C)cc1CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001344217452 1270114331 /nfs/dbraw/zinc/11/43/31/1270114331.db2.gz YGDCKLZRMSKKCF-SLBVQIDZSA-N 0 1 370.457 0.809 10 0 FCAEMN C[C@@H](CCCCNC(=O)[C@H]1OCCO[C@H]1C)NC(=O)c1[nH]ncc1F ZINC001572747576 1270115673 /nfs/dbraw/zinc/11/56/73/1270115673.db2.gz CYFKZUNUYBNNPQ-MJVIPROJSA-N 0 1 356.398 0.758 10 0 FCAEMN Cc1nc(CC(=O)NC[C@H]2CC[C@@H](NC(=O)c3ncccc3O)C2)n[nH]1 ZINC001344272259 1270124802 /nfs/dbraw/zinc/12/48/02/1270124802.db2.gz UQCLYZMVJBDCTF-NWDGAFQWSA-N 0 1 358.402 0.471 10 0 FCAEMN CN1C(=O)CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CN2CCCC2)C1 ZINC001344276435 1270127856 /nfs/dbraw/zinc/12/78/56/1270127856.db2.gz XJUZDVULKMQGSY-XHSDSOJGSA-N 0 1 364.490 0.494 10 0 FCAEMN Cn1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)CCc3cnc[nH]3)C2)[nH]c1=O ZINC001344285580 1270132236 /nfs/dbraw/zinc/13/22/36/1270132236.db2.gz QCTQSYHPEYUNMC-NWDGAFQWSA-N 0 1 360.418 0.496 10 0 FCAEMN CCOCCO[C@@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3ccn[nH]3)C[C@H]21 ZINC001572781190 1270134236 /nfs/dbraw/zinc/13/42/36/1270134236.db2.gz RTCNRHOCQOHEHU-KCQAQPDRSA-N 0 1 350.419 0.524 10 0 FCAEMN COCCOCCC(=O)N1C[C@@H]2CCN(C(=O)CCc3cnc[nH]3)[C@@H]2C1 ZINC001572781810 1270135218 /nfs/dbraw/zinc/13/52/18/1270135218.db2.gz LXMQQLYXWWWZBV-GOEBONIOSA-N 0 1 364.446 0.455 10 0 FCAEMN Cc1cnc(COCC(=O)N[C@@H]2CC[C@H](CNC(=O)c3cnn[nH]3)C2)o1 ZINC001344293723 1270135954 /nfs/dbraw/zinc/13/59/54/1270135954.db2.gz IZHDLRWQUGSGRF-NWDGAFQWSA-N 0 1 362.390 0.333 10 0 FCAEMN Cc1nn(C)cc1CCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001344293866 1270136005 /nfs/dbraw/zinc/13/60/05/1270136005.db2.gz PEHHQQZGSCKMHD-GXTWGEPZSA-N 0 1 359.434 0.494 10 0 FCAEMN Cn1cncc1C(=O)N1CC[C@H]2CN(C(=O)CCCCc3cn[nH]n3)C[C@H]21 ZINC001572783565 1270138592 /nfs/dbraw/zinc/13/85/92/1270138592.db2.gz DZNGUZRCUAKDFJ-XJKSGUPXSA-N 0 1 371.445 0.624 10 0 FCAEMN CN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CCc2cnccn2)C1 ZINC001344305289 1270141739 /nfs/dbraw/zinc/14/17/39/1270141739.db2.gz WPSOYIWHUYHYRA-ZMSDIMECSA-N 0 1 359.474 0.905 10 0 FCAEMN O=C(CCc1ncccn1)NC[C@H]1CC[C@@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001344310654 1270143851 /nfs/dbraw/zinc/14/38/51/1270143851.db2.gz QTFLYLWZRZUGJC-UONOGXRCSA-N 0 1 371.445 0.561 10 0 FCAEMN O=C(CCc1ncccn1)NC[C@H]1CC[C@@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001344310654 1270143853 /nfs/dbraw/zinc/14/38/53/1270143853.db2.gz QTFLYLWZRZUGJC-UONOGXRCSA-N 0 1 371.445 0.561 10 0 FCAEMN 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O=C(CCc1c[nH]nn1)NC[C@H]1CC[C@@H](NC(=O)c2ccc(F)nc2)C1 ZINC001344324249 1270148865 /nfs/dbraw/zinc/14/88/65/1270148865.db2.gz YGWGLVLWDVPNSZ-WCQYABFASA-N 0 1 360.393 0.986 10 0 FCAEMN O=C(CCc1cnn[nH]1)NC[C@H]1CC[C@@H](NC(=O)c2ccc(F)nc2)C1 ZINC001344324249 1270148869 /nfs/dbraw/zinc/14/88/69/1270148869.db2.gz YGWGLVLWDVPNSZ-WCQYABFASA-N 0 1 360.393 0.986 10 0 FCAEMN CCO[C@@H]1CN(C(=O)C2CC2)C[C@H]1CNC(=O)[C@@H](C)CN1CCOCC1 ZINC001344349746 1270157413 /nfs/dbraw/zinc/15/74/13/1270157413.db2.gz OQEHULUFZIYYCF-USXIJHARSA-N 0 1 367.490 0.344 10 0 FCAEMN CCCOCC(=O)N[C@@H]1CN(C(=O)c2cc(C)cc3c[nH]nc32)C[C@H]1O ZINC001572803322 1270164475 /nfs/dbraw/zinc/16/44/75/1270164475.db2.gz SNSUAZKSYHOFEX-HUUCEWRRSA-N 0 1 360.414 0.599 10 0 FCAEMN CCO[C@@H]1CN(C(=O)CC[C@H](C)OC)C[C@H]1CNC(=O)c1[nH]ncc1F ZINC001344390418 1270167159 /nfs/dbraw/zinc/16/71/59/1270167159.db2.gz PYWIUQCGGPRBBF-OUCADQQQSA-N 0 1 370.425 0.957 10 0 FCAEMN CCO[C@@H]1CN(C(=O)[C@H](OC)C2CC2)C[C@H]1CNC(=O)CN1CCCC1 ZINC001344391193 1270167449 /nfs/dbraw/zinc/16/74/49/1270167449.db2.gz WGVBFNUIDZWSLK-JFIYKMOQSA-N 0 1 367.490 0.487 10 0 FCAEMN CC[C@@H](C)OCC(=O)N[C@@H]1CN(C(=O)c2cccc3n[nH]cc32)C[C@H]1O ZINC001572810106 1270173725 /nfs/dbraw/zinc/17/37/25/1270173725.db2.gz CQHWTLLSHRVGJB-HFBAOOFYSA-N 0 1 360.414 0.680 10 0 FCAEMN CN(C)C(=O)O[C@H]1CCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)C1 ZINC001344415294 1270173845 /nfs/dbraw/zinc/17/38/45/1270173845.db2.gz SFKYGSCJTQPCNO-HNNXBMFYSA-N 0 1 361.446 0.746 10 0 FCAEMN CC(C)(C)OCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1O ZINC001572811166 1270175396 /nfs/dbraw/zinc/17/53/96/1270175396.db2.gz ALZBYSGOAFFBQI-HBJVGIJOSA-N 0 1 350.419 0.016 10 0 FCAEMN CCO[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1CNC(=O)C[C@@H](C)OC ZINC001344430667 1270177909 /nfs/dbraw/zinc/17/79/09/1270177909.db2.gz DYDRXIVHPSWZJZ-YRGRVCCFSA-N 0 1 368.434 0.144 10 0 FCAEMN Cc1ncc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)C[C@@H]2CCNC2=O)[nH]1 ZINC001344478283 1270185023 /nfs/dbraw/zinc/18/50/23/1270185023.db2.gz SNQWMKRPXWBTAP-XBFCOCLRSA-N 0 1 361.446 0.601 10 0 FCAEMN C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)Cc1cnc[nH]1)n1cncn1 ZINC001344498355 1270188708 /nfs/dbraw/zinc/18/87/08/1270188708.db2.gz ZVLQURQLCAQHMJ-IPYPFGDCSA-N 0 1 359.434 0.548 10 0 FCAEMN Cc1nc(CC(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCCCO2)n[nH]1 ZINC001344496555 1270189456 /nfs/dbraw/zinc/18/94/56/1270189456.db2.gz LHIGFKUWYCYTEY-SNPRPXQTSA-N 0 1 363.462 0.968 10 0 FCAEMN C[C@@H]1CCN(C(=O)CN2CCCC2)[C@H](CNC(=O)C(=O)NCC2CC2)C1 ZINC001344510980 1270192183 /nfs/dbraw/zinc/19/21/83/1270192183.db2.gz LSLWQPLMYGNVSL-ZBFHGGJFSA-N 0 1 364.490 0.352 10 0 FCAEMN Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CN1CCCC1 ZINC001344521947 1270194634 /nfs/dbraw/zinc/19/46/34/1270194634.db2.gz IFPUOCIDWNTUPV-OCCSQVGLSA-N 0 1 363.462 0.876 10 0 FCAEMN CCN(CC)C[C@H](F)C(=O)N[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1O ZINC001572824154 1270197985 /nfs/dbraw/zinc/19/79/85/1270197985.db2.gz XCGIJLRTKCHRJA-BFHYXJOUSA-N 0 1 361.433 0.494 10 0 FCAEMN CC[C@@H](C)OCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncc3nc[nH]c32)C1 ZINC001572824643 1270199085 /nfs/dbraw/zinc/19/90/85/1270199085.db2.gz ORXWVDNUPCXMEQ-LERXQTSPSA-N 0 1 361.402 0.075 10 0 FCAEMN CCN1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(COC)CCC2)C[C@H]1O ZINC001572826234 1270201564 /nfs/dbraw/zinc/20/15/64/1270201564.db2.gz WEVZESHURKFAPU-OWCLPIDISA-N 0 1 367.490 0.365 10 0 FCAEMN C[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](CNC(=O)CCc2c[nH]nn2)C1 ZINC001344565005 1270205350 /nfs/dbraw/zinc/20/53/50/1270205350.db2.gz YHEFSHMIHPMNCN-DHWSYENGSA-N 0 1 361.446 0.373 10 0 FCAEMN C[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](CNC(=O)CCc2cnn[nH]2)C1 ZINC001344565005 1270205351 /nfs/dbraw/zinc/20/53/51/1270205351.db2.gz YHEFSHMIHPMNCN-DHWSYENGSA-N 0 1 361.446 0.373 10 0 FCAEMN C[C@@H]1CCN(C(=O)C2=NC(=O)N(C)C2)[C@H](CNC(=O)CC2(O)CCC2)C1 ZINC001344576600 1270206441 /nfs/dbraw/zinc/20/64/41/1270206441.db2.gz JPQWDRHDKKDUDK-OLZOCXBDSA-N 0 1 364.446 0.788 10 0 FCAEMN 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CCCC(=O)N1CCCC[C@H]1C(=O)N1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000135413507 488673004 /nfs/dbraw/zinc/67/30/04/488673004.db2.gz RADKPDFZCFKWAG-HNNXBMFYSA-N 0 1 362.478 0.939 10 0 FCAEMN Cc1nc(CN2CCN(C(=O)c3ccc(-n4cnnc4)cc3)CC2)n[nH]1 ZINC000135420752 488673051 /nfs/dbraw/zinc/67/30/51/488673051.db2.gz QGIDHAUPUWMZQY-UHFFFAOYSA-N 0 1 352.402 0.652 10 0 FCAEMN CN(C)c1ccncc1C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000273952741 488676680 /nfs/dbraw/zinc/67/66/80/488676680.db2.gz YJTSEKSSRYZUPJ-NSHDSACASA-N 0 1 369.468 0.774 10 0 FCAEMN COC(=O)c1ncsc1S(=O)(=O)N[C@]1(C(=O)OC)CCSC1 ZINC000274135627 488685569 /nfs/dbraw/zinc/68/55/69/488685569.db2.gz IOEKKNHTPGSEEY-LLVKDONJSA-N 0 1 366.442 0.257 10 0 FCAEMN CN(C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CSC(=O)N2)c1 ZINC000274302036 488696952 /nfs/dbraw/zinc/69/69/52/488696952.db2.gz SNTCSGWMIFNBTH-GFCCVEGCSA-N 0 1 372.472 0.290 10 0 FCAEMN O=C([C@@H]1NCCc2ccccc21)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000150863208 488700524 /nfs/dbraw/zinc/70/05/24/488700524.db2.gz 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488750458 /nfs/dbraw/zinc/75/04/58/488750458.db2.gz MZVXBHGGFDUOBM-UUZUZFRQSA-N 0 1 356.426 0.538 10 0 FCAEMN Cc1nn(C)c(C)c1CN1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000155140375 488751670 /nfs/dbraw/zinc/75/16/70/488751670.db2.gz YOJJKXSXKPBXOR-QZTJIDSGSA-N 0 1 366.506 0.711 10 0 FCAEMN COCCC(=O)N1CCC(NC(=O)N2CCN3CCCC[C@@H]3C2)CC1 ZINC000156506331 488766043 /nfs/dbraw/zinc/76/60/43/488766043.db2.gz NWMJBLDMGXIAOT-MRXNPFEDSA-N 0 1 352.479 0.894 10 0 FCAEMN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC[C@@H]2c2nncn2C)C1 ZINC000157253514 488770390 /nfs/dbraw/zinc/77/03/90/488770390.db2.gz JCKBJTJSZDYNNC-JKSUJKDBSA-N 0 1 364.494 0.425 10 0 FCAEMN COCCn1ccc(NC(=O)C(=O)NCc2nc3cccc(C)c3[nH]2)n1 ZINC000159238949 488784215 /nfs/dbraw/zinc/78/42/15/488784215.db2.gz ZXOLYWSFTCVODO-UHFFFAOYSA-N 0 1 356.386 0.969 10 0 FCAEMN COC(=O)[C@@](C)(O)CN1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000554738791 491222340 /nfs/dbraw/zinc/22/23/40/491222340.db2.gz LUPBPKBVWVIOEY-SFHVURJKSA-N 0 1 352.406 0.827 10 0 FCAEMN CNS(=O)(=O)c1cc(C(=O)NCCCCN2CCOCC2)c(C)o1 ZINC000267601854 488803016 /nfs/dbraw/zinc/80/30/16/488803016.db2.gz TXPMDQCKTDEVBP-UHFFFAOYSA-N 0 1 359.448 0.338 10 0 FCAEMN O=C([C@H]1NCCc2ccccc21)N1CCN(c2ccc3nncn3n2)CC1 ZINC000167943021 488812470 /nfs/dbraw/zinc/81/24/70/488812470.db2.gz SLAMQOYSRRPPQV-SFHVURJKSA-N 0 1 363.425 0.660 10 0 FCAEMN C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000267727694 488815589 /nfs/dbraw/zinc/81/55/89/488815589.db2.gz YJTBLKRPLYKWAM-JTQLQIEISA-N 0 1 367.431 0.589 10 0 FCAEMN CC(C)CN1CCO[C@H](CNC(=O)N2CCN(c3cccnn3)CC2)C1 ZINC000171004780 488818913 /nfs/dbraw/zinc/81/89/13/488818913.db2.gz DTDRCFQCKJQHGP-MRXNPFEDSA-N 0 1 362.478 0.665 10 0 FCAEMN C[C@@H](NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cccs1 ZINC000171111759 488820010 /nfs/dbraw/zinc/82/00/10/488820010.db2.gz KANAMEYZJARZPC-ZIAGYGMSSA-N 0 1 371.528 0.730 10 0 FCAEMN Cn1cnnc1C1CCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)CC1 ZINC000171673475 488825646 /nfs/dbraw/zinc/82/56/46/488825646.db2.gz 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ZINC000172801558 488838485 /nfs/dbraw/zinc/83/84/85/488838485.db2.gz XJRRXJKNPDGSIL-MRXNPFEDSA-N 0 1 360.458 0.337 10 0 FCAEMN NS(=O)(=O)c1cccc(NC(=O)CN2CCN3CCCC[C@@H]3C2)c1 ZINC000172803487 488838493 /nfs/dbraw/zinc/83/84/93/488838493.db2.gz HXASXGHBIAQTMH-CQSZACIVSA-N 0 1 352.460 0.443 10 0 FCAEMN CS(=O)(=O)CCS(=O)(=O)NC1CCN(CC2CCCC2)CC1 ZINC000173075552 488840652 /nfs/dbraw/zinc/84/06/52/488840652.db2.gz IJSDBQSSRRQLST-UHFFFAOYSA-N 0 1 352.522 0.605 10 0 FCAEMN COCc1cc(C(=O)N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)no1 ZINC000173093462 488840883 /nfs/dbraw/zinc/84/08/83/488840883.db2.gz HAKCNWMSLRYLFQ-INIZCTEOSA-N 0 1 366.462 0.688 10 0 FCAEMN COC(C)(C)CNC(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000173236992 488841918 /nfs/dbraw/zinc/84/19/18/488841918.db2.gz RESXAPDXSJRBEG-INIZCTEOSA-N 0 1 356.511 0.848 10 0 FCAEMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)CCN1C ZINC000173277537 488842118 /nfs/dbraw/zinc/84/21/18/488842118.db2.gz JRBZUWBQWBHLCP-MNOVXSKESA-N 0 1 366.443 0.320 10 0 FCAEMN NC(=O)[C@@H]1CCCN(C(=O)CN2CCC(CN3CCCCC3=O)CC2)C1 ZINC000173446970 488842701 /nfs/dbraw/zinc/84/27/01/488842701.db2.gz JMBSHRDQQIRVDB-MRXNPFEDSA-N 0 1 364.490 0.435 10 0 FCAEMN Cc1nc([C@H]2CN(C(=O)CCn3cnc4sccc4c3=O)CCO2)n[nH]1 ZINC000173531434 488843222 /nfs/dbraw/zinc/84/32/22/488843222.db2.gz OPOLNVJEYXOPIS-GFCCVEGCSA-N 0 1 374.426 0.875 10 0 FCAEMN Cc1nc([C@@H]2CN(C(=O)c3ccccc3Cn3cncn3)CCO2)n[nH]1 ZINC000173533437 488843395 /nfs/dbraw/zinc/84/33/95/488843395.db2.gz JNWNQWXGTQMTSX-HNNXBMFYSA-N 0 1 353.386 0.967 10 0 FCAEMN Cc1nc([C@H]2CN(C(=O)c3ccc(=O)n(-c4ccccc4)n3)CCO2)n[nH]1 ZINC000173535544 488843553 /nfs/dbraw/zinc/84/35/53/488843553.db2.gz QOSHBPBNAIVPDG-OAHLLOKOSA-N 0 1 366.381 0.873 10 0 FCAEMN Cc1nc([C@@H]2CN(C(=O)C(=O)NCCCc3ccccc3)CCO2)n[nH]1 ZINC000173602986 488843802 /nfs/dbraw/zinc/84/38/02/488843802.db2.gz UGLBOTBFYMLOQS-HNNXBMFYSA-N 0 1 357.414 0.762 10 0 FCAEMN Cc1nc([C@H]2CN(S(=O)(=O)c3c(C)nn(C)c3Cl)CCO2)n[nH]1 ZINC000173733807 488844938 /nfs/dbraw/zinc/84/49/38/488844938.db2.gz DDBNJQXXNKHMBY-SECBINFHSA-N 0 1 360.827 0.571 10 0 FCAEMN Cc1nc([C@H]2CN(C(=O)CNC(=O)c3ccc(F)cc3F)CCO2)n[nH]1 ZINC000173756085 488844955 /nfs/dbraw/zinc/84/49/55/488844955.db2.gz BUHBXSQCXGQDIF-CYBMUJFWSA-N 0 1 365.340 0.721 10 0 FCAEMN CCc1nc([C@H]2CN(S(=O)(=O)c3c(C)nn(C)c3Cl)CCO2)n[nH]1 ZINC000173737672 488845104 /nfs/dbraw/zinc/84/51/04/488845104.db2.gz RDAOLPVDAGKHFW-SECBINFHSA-N 0 1 374.854 0.825 10 0 FCAEMN C[C@@H]1CN(C(=O)c2ccnc(N3CCN(C)CC3)c2)C[C@H]1N1CCOCC1 ZINC000173846110 488845729 /nfs/dbraw/zinc/84/57/29/488845729.db2.gz GMAWXDDJNDCGGT-SJLPKXTDSA-N 0 1 373.501 0.626 10 0 FCAEMN CC[C@@H](O)CN1CCN(CCOc2cccc(S(C)(=O)=O)c2)CC1 ZINC000174085294 488847398 /nfs/dbraw/zinc/84/73/98/488847398.db2.gz ZOIBEDBFPCIZJL-OAHLLOKOSA-N 0 1 356.488 0.857 10 0 FCAEMN CC[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)CCN1C[C@@H](C)O ZINC000174606028 488850247 /nfs/dbraw/zinc/85/02/47/488850247.db2.gz OMUPRZYWZDATGO-VXGBXAGGSA-N 0 1 350.444 0.673 10 0 FCAEMN 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CSCC(=O)N(CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001685025242 1292400396 /nfs/dbraw/zinc/40/03/96/1292400396.db2.gz KRJCLLQVPGRKMA-MGPQQGTHSA-N 0 1 366.487 0.688 10 0 FCAEMN CC(C)COCCC(=O)N1C[C@H]2CCN(C(=O)Cc3ncn[nH]3)C[C@H]2C1 ZINC001685040730 1292405229 /nfs/dbraw/zinc/40/52/29/1292405229.db2.gz OEMZXGJPNUBJOA-CABCVRRESA-N 0 1 363.462 0.717 10 0 FCAEMN O=C(CCCCc1c[nH]nn1)N1CC[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@@H]2C1 ZINC001685041004 1292405650 /nfs/dbraw/zinc/40/56/50/1292405650.db2.gz UNTGVQIEXCWTJC-KGLIPLIRSA-N 0 1 371.445 0.861 10 0 FCAEMN O=C(CCCCc1cn[nH]n1)N1CC[C@@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]2C1 ZINC001685041004 1292405654 /nfs/dbraw/zinc/40/56/54/1292405654.db2.gz UNTGVQIEXCWTJC-KGLIPLIRSA-N 0 1 371.445 0.861 10 0 FCAEMN CCOCCOCC(=O)N1C[C@H]2CCN(C(=O)c3ccn[nH]3)C[C@H]2C1 ZINC001685078425 1292419857 /nfs/dbraw/zinc/41/98/57/1292419857.db2.gz KMJJBCPVIPFIID-KGLIPLIRSA-N 0 1 350.419 0.383 10 0 FCAEMN COCCOCCC(=O)N1C[C@@H]2CN(C(=O)c3[nH]nnc3C)CC[C@@H]2C1 ZINC001685082949 1292420515 /nfs/dbraw/zinc/42/05/15/1292420515.db2.gz NDVMKAFXHKTWJN-KGLIPLIRSA-N 0 1 365.434 0.087 10 0 FCAEMN Cc1nc(CNC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)n[nH]1 ZINC001685176845 1292444406 /nfs/dbraw/zinc/44/44/06/1292444406.db2.gz DWJYYZVLSLNDCB-UHFFFAOYSA-N 0 1 358.468 0.553 10 0 FCAEMN CNC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)[C@@H]1C ZINC001685215594 1292455281 /nfs/dbraw/zinc/45/52/81/1292455281.db2.gz YUFAHFACZPLREZ-YPMHNXCESA-N 0 1 361.446 0.923 10 0 FCAEMN CCOC(=O)[C@]1(CNC(=O)NCc2nc(CSC)n[nH]2)CCCOC1 ZINC001685248682 1292468750 /nfs/dbraw/zinc/46/87/50/1292468750.db2.gz MRCWZXCSGGTLRO-HNNXBMFYSA-N 0 1 371.463 0.827 10 0 FCAEMN CCOC(=O)[C@]1(CNC(=O)NCc2nnc(CSC)[nH]2)CCCOC1 ZINC001685248682 1292468755 /nfs/dbraw/zinc/46/87/55/1292468755.db2.gz MRCWZXCSGGTLRO-HNNXBMFYSA-N 0 1 371.463 0.827 10 0 FCAEMN CCN(CC)C[C@@H](F)C(=O)N[C@H]1CCN(C(=O)c2cn(CC)nn2)[C@@H]1C ZINC001685261339 1292471873 /nfs/dbraw/zinc/47/18/73/1292471873.db2.gz MNQVBPQBTPQFFL-MCIONIFRSA-N 0 1 368.457 0.697 10 0 FCAEMN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CN(C)C2CCC2)[C@H]1C ZINC001685278315 1292479843 /nfs/dbraw/zinc/47/98/43/1292479843.db2.gz CPQYEVBRCSRJJN-XOKHGSTOSA-N 0 1 364.490 0.587 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)CN(C)C2CCC2)CCN1C(=O)c1ccnc2ccnn21 ZINC001685278331 1292480223 /nfs/dbraw/zinc/48/02/23/1292480223.db2.gz DEJIIRSGWYHMKB-HIFRSBDPSA-N 0 1 370.457 0.933 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)CN(C)C2CCC2)CCN1C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001685278660 1292480934 /nfs/dbraw/zinc/48/09/34/1292480934.db2.gz PSTWQRDKKPLANM-YCPHGPKFSA-N 0 1 364.490 0.445 10 0 FCAEMN Cc1ccccc1C(=O)NCC(=O)N1CC[C@H](NC(=O)c2ncn[nH]2)[C@H]1C ZINC001685355268 1292512468 /nfs/dbraw/zinc/51/24/68/1292512468.db2.gz TWDXZNNUMGYRRD-OCCSQVGLSA-N 0 1 370.413 0.262 10 0 FCAEMN Cc1ccccc1C(=O)NCC(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@H]1C ZINC001685355268 1292512473 /nfs/dbraw/zinc/51/24/73/1292512473.db2.gz TWDXZNNUMGYRRD-OCCSQVGLSA-N 0 1 370.413 0.262 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)c2[nH]ncc2F)CCN1C(=O)COCc1nccn1C ZINC001685379687 1292520892 /nfs/dbraw/zinc/52/08/92/1292520892.db2.gz CAMJGELJSKMZQL-PWSUYJOCSA-N 0 1 364.381 0.218 10 0 FCAEMN CNC(=O)NCC(=O)N1CC[C@H](NC(=O)c2n[nH]c3ccccc32)[C@H]1C ZINC001685383766 1292522319 /nfs/dbraw/zinc/52/23/19/1292522319.db2.gz JOTXOXBWQCADAX-PWSUYJOCSA-N 0 1 358.402 0.211 10 0 FCAEMN Cc1ncccc1CC(=O)N1CC[C@H](NC(=O)CCc2c[nH]nn2)[C@H]1C ZINC001685395305 1292526443 /nfs/dbraw/zinc/52/64/43/1292526443.db2.gz CPNQXTLCEBQNMZ-CJNGLKHVSA-N 0 1 356.430 0.789 10 0 FCAEMN Cc1ncccc1CC(=O)N1CC[C@H](NC(=O)CCc2cnn[nH]2)[C@H]1C ZINC001685395305 1292526445 /nfs/dbraw/zinc/52/64/45/1292526445.db2.gz CPNQXTLCEBQNMZ-CJNGLKHVSA-N 0 1 356.430 0.789 10 0 FCAEMN COC1(CNC(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)CCCCCC1 ZINC001685415452 1292530471 /nfs/dbraw/zinc/53/04/71/1292530471.db2.gz KKFNOHSPTURAEG-UHFFFAOYSA-N 0 1 373.479 0.888 10 0 FCAEMN CS(=O)(=O)Cc1nc(CNC(=O)NC[C@@H](O)c2cccc(F)c2)n[nH]1 ZINC001685495987 1292539191 /nfs/dbraw/zinc/53/91/91/1292539191.db2.gz FDIYXZHBUXSTQT-LLVKDONJSA-N 0 1 371.394 0.021 10 0 FCAEMN CS(=O)(=O)Cc1nc(CNC(=O)N2CCC[C@@H]2[C@H]2CCCOC2)n[nH]1 ZINC001685496298 1292541156 /nfs/dbraw/zinc/54/11/56/1292541156.db2.gz HRAIIDPDYVTUJQ-NWDGAFQWSA-N 0 1 371.463 0.450 10 0 FCAEMN CSC[C@H](C)C(=O)N1C[C@H]2CN(C(=O)Cc3ncn[nH]3)C[C@@]2(C)C1 ZINC001685505335 1292546595 /nfs/dbraw/zinc/54/65/95/1292546595.db2.gz SHPGDQGMAJNOOV-OZVIIMIRSA-N 0 1 351.476 0.653 10 0 FCAEMN COC[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)C3=NC(=O)N(C)C3)C[C@]2(C)C1 ZINC001685567112 1292560466 /nfs/dbraw/zinc/56/04/66/1292560466.db2.gz KYLTWVLHJANBLZ-QFSBIZTOSA-N 0 1 350.419 0.329 10 0 FCAEMN COC(=O)NCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@H]1C ZINC001685609604 1292572943 /nfs/dbraw/zinc/57/29/43/1292572943.db2.gz NKFNXRPEPLUYKT-YNEHKIRRSA-N 0 1 365.434 0.155 10 0 FCAEMN CCCNC(=O)CCC(=O)N1C[C@@H](CNC(=O)CN2CCCC2)[C@H](C)C1 ZINC001685674144 1292589865 /nfs/dbraw/zinc/58/98/65/1292589865.db2.gz OPEFLEXASDSJAY-HZPDHXFCSA-N 0 1 366.506 0.599 10 0 FCAEMN COC(=O)NCC(=O)N1C[C@@H](CNC(=O)[C@@H](C)Cc2cnc[nH]2)[C@H](C)C1 ZINC001685679387 1292591907 /nfs/dbraw/zinc/59/19/07/1292591907.db2.gz YQULZXVBYDTWEN-YNEHKIRRSA-N 0 1 365.434 0.155 10 0 FCAEMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C ZINC001685679408 1292592488 /nfs/dbraw/zinc/59/24/88/1292592488.db2.gz ZNGWBMPRBWCHDN-BFHYXJOUSA-N 0 1 356.430 0.903 10 0 FCAEMN COC(=O)NCC(=O)N1C[C@@H](CNC(=O)c2[nH]nc3c2CCC3)[C@H](C)C1 ZINC001685712160 1292605354 /nfs/dbraw/zinc/60/53/54/1292605354.db2.gz VEPHNNVICSOSFP-GHMZBOCLSA-N 0 1 363.418 0.079 10 0 FCAEMN Cc1noc(CCC(=O)NC[C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2C)n1 ZINC001685732984 1292613685 /nfs/dbraw/zinc/61/36/85/1292613685.db2.gz PDNQMCIFPIOVRW-UKRRQHHQSA-N 0 1 363.462 0.617 10 0 FCAEMN CO[C@H](C(=O)NC[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1C)C(C)C ZINC001685776883 1292630540 /nfs/dbraw/zinc/63/05/40/1292630540.db2.gz IMIWIKGCVMLSGV-BZPMIXESSA-N 0 1 352.435 0.621 10 0 FCAEMN COCc1nocc1C(=O)N1C[C@@H](CNC(=O)Cc2cnc[nH]2)[C@H](C)C1 ZINC001685797130 1292639497 /nfs/dbraw/zinc/63/94/97/1292639497.db2.gz ZSDMAEXFLSAIJN-VXGBXAGGSA-N 0 1 361.402 0.611 10 0 FCAEMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC2N=NC(=O)N2C)CC1 ZINC001685803561 1292641598 /nfs/dbraw/zinc/64/15/98/1292641598.db2.gz NPZFGTJIFRVZEX-LBPRGKRZSA-N 0 1 359.434 0.941 10 0 FCAEMN CC(=O)N(C)CCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2cnn[nH]2)C1 ZINC001685865572 1292668689 /nfs/dbraw/zinc/66/86/89/1292668689.db2.gz XEUCHSBFEFEGMO-TZMCWYRMSA-N 0 1 364.450 0.278 10 0 FCAEMN C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1CCNC(=O)c1[nH]ncc1F ZINC001685885802 1292679112 /nfs/dbraw/zinc/67/91/12/1292679112.db2.gz GQKFVFNFGUGOHA-VXGBXAGGSA-N 0 1 362.409 0.739 10 0 FCAEMN CN(C)C(=O)CC(=O)N1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C)CCC[C@@H]12 ZINC001685908596 1292690250 /nfs/dbraw/zinc/69/02/50/1292690250.db2.gz CIFBQYARQYDHFB-QMTMVMCOSA-N 0 1 364.490 0.446 10 0 FCAEMN CC(=O)N(C)CC(=O)N1CC[C@@]2(CNC(=O)CN3CCCC3)CCC[C@@H]12 ZINC001685914900 1292693828 /nfs/dbraw/zinc/69/38/28/1292693828.db2.gz VMOHPTVKJWMJTN-VQIMIIECSA-N 0 1 364.490 0.448 10 0 FCAEMN Cc1c(C(=O)N2CC[C@@]3(CNC(=O)Cc4cnc[nH]4)CCC[C@@H]23)nnn1C ZINC001685929312 1292700183 /nfs/dbraw/zinc/70/01/83/1292700183.db2.gz BZTANFWBJFMYDW-RDTXWAMCSA-N 0 1 371.445 0.590 10 0 FCAEMN C[C@@](O)(CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc[nH]n1)C2)C1CC1 ZINC001685984447 1292716694 /nfs/dbraw/zinc/71/66/94/1292716694.db2.gz FLWDYEZFTQWUJS-KHSSZTOVSA-N 0 1 361.446 0.537 10 0 FCAEMN O=C(CNC(=O)c1ccncc1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn[nH]1 ZINC001686026309 1292733615 /nfs/dbraw/zinc/73/36/15/1292733615.db2.gz CFTJOKXZLYEJCD-SNPRPXQTSA-N 0 1 368.397 0.096 10 0 FCAEMN CN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCn1cncn1 ZINC001686044364 1292743365 /nfs/dbraw/zinc/74/33/65/1292743365.db2.gz LXFFLCMGCFWDGQ-LTIDMASMSA-N 0 1 374.489 0.791 10 0 FCAEMN CNC(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3c1CCCC3)C2 ZINC001686046680 1292743871 /nfs/dbraw/zinc/74/38/71/1292743871.db2.gz CJLNDWKLORCARW-SWHYSGLUSA-N 0 1 374.445 0.079 10 0 FCAEMN Cc1csc([C@@H](C)CNC(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)n1 ZINC001686052026 1292747714 /nfs/dbraw/zinc/74/77/14/1292747714.db2.gz YPRVJLAFGACSMD-QMMMGPOBSA-N 0 1 372.476 0.717 10 0 FCAEMN C[C@@H](CNC(=O)NCc1n[nH]c(CS(C)(=O)=O)n1)c1ccccc1 ZINC001686054633 1292749711 /nfs/dbraw/zinc/74/97/11/1292749711.db2.gz BTBHGEUZGNDNRE-NSHDSACASA-N 0 1 351.432 0.952 10 0 FCAEMN CCO[C@@H]1COCC[C@H]1NC(=O)NCc1n[nH]c(C2CCOCC2)n1 ZINC001686070898 1292756184 /nfs/dbraw/zinc/75/61/84/1292756184.db2.gz VZAUGJJYHBUDJS-CHWSQXEVSA-N 0 1 353.423 0.692 10 0 FCAEMN C[C@@H](Oc1cccnc1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1ncn[nH]1 ZINC001686094104 1292765088 /nfs/dbraw/zinc/76/50/88/1292765088.db2.gz QFKJLVXTJBZSLV-UXOAXIEHSA-N 0 1 370.413 0.458 10 0 FCAEMN Cc1nc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2c[nH]nn2)C3)c(C)o1 ZINC001686100896 1292768075 /nfs/dbraw/zinc/76/80/75/1292768075.db2.gz AZXVQJYIBCWGHC-RDBSUJKOSA-N 0 1 358.402 0.904 10 0 FCAEMN Cc1nc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2cnn[nH]2)C3)c(C)o1 ZINC001686100896 1292768082 /nfs/dbraw/zinc/76/80/82/1292768082.db2.gz AZXVQJYIBCWGHC-RDBSUJKOSA-N 0 1 358.402 0.904 10 0 FCAEMN O=C(CCc1nc[nH]n1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(F)CCOCC1 ZINC001686141165 1292784167 /nfs/dbraw/zinc/78/41/67/1292784167.db2.gz KUFAIIXWLNRVIH-UPJWGTAASA-N 0 1 365.409 0.504 10 0 FCAEMN CCn1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C3)nn1 ZINC001686170867 1292798744 /nfs/dbraw/zinc/79/87/44/1292798744.db2.gz CWLQCTMKURWIHX-DCDXPUDHSA-N 0 1 371.445 0.762 10 0 FCAEMN CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn[nH]c1 ZINC001686176501 1292801958 /nfs/dbraw/zinc/80/19/58/1292801958.db2.gz TWTQHHPVGAGIDN-TUVASFSCSA-N 0 1 351.426 0.951 10 0 FCAEMN Cn1c(CNC(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)n[nH]c1=O ZINC001686218012 1292833039 /nfs/dbraw/zinc/83/30/39/1292833039.db2.gz PUZWOGBFVHNMAE-UHFFFAOYSA-N 0 1 366.422 0.887 10 0 FCAEMN CC(=O)NCCCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncn[nH]1)C2 ZINC001686228780 1292840842 /nfs/dbraw/zinc/84/08/42/1292840842.db2.gz FNEQVSILZZPIQY-MCIONIFRSA-N 0 1 362.434 0.363 10 0 FCAEMN CC(=O)NCCCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc[nH]n1)C2 ZINC001686228780 1292840851 /nfs/dbraw/zinc/84/08/51/1292840851.db2.gz FNEQVSILZZPIQY-MCIONIFRSA-N 0 1 362.434 0.363 10 0 FCAEMN NC(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C(F)F)[nH]n2)CC1 ZINC001686244628 1292849794 /nfs/dbraw/zinc/84/97/94/1292849794.db2.gz MHVWIHJIFLVXGK-XLDPMVHQSA-N 0 1 367.356 0.475 10 0 FCAEMN CCc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)COCCCOC)C3)n[nH]1 ZINC001686256713 1292858868 /nfs/dbraw/zinc/85/88/68/1292858868.db2.gz YIWUGHRLDZUSFJ-FMKPAKJESA-N 0 1 364.446 0.887 10 0 FCAEMN CC[C@@H](C)C(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cnc[nH]1)C2 ZINC001686265893 1292863907 /nfs/dbraw/zinc/86/39/07/1292863907.db2.gz POUFZYCIWLFPAP-NGFQHRJXSA-N 0 1 361.446 0.363 10 0 FCAEMN Cc1nn[nH]c1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CCOCC(F)F)C1 ZINC001686292894 1292883845 /nfs/dbraw/zinc/88/38/45/1292883845.db2.gz NRTFGPGIRXAPMS-ZBEGNZNMSA-N 0 1 371.388 0.896 10 0 FCAEMN CSCCC(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1C(F)(F)F ZINC001686321171 1292902888 /nfs/dbraw/zinc/90/28/88/1292902888.db2.gz QXSGFABNQWROJB-RKDXNWHRSA-N 0 1 365.381 0.985 10 0 FCAEMN Cc1ccc(CN2CC[C@H](NC(=O)NCc3n[nH]c(=O)n3C)C2=O)cc1 ZINC001686340287 1292914726 /nfs/dbraw/zinc/91/47/26/1292914726.db2.gz ZKOJDBJJQIGHFN-ZDUSSCGKSA-N 0 1 358.402 0.429 10 0 FCAEMN O=C(NCc1n[nH]c(-c2ccncc2)n1)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC001686823832 1292962819 /nfs/dbraw/zinc/96/28/19/1292962819.db2.gz ZEQHGCAAEPAONV-YVEFUNNKSA-N 0 1 355.402 0.867 10 0 FCAEMN NC(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H](CO)c1ccc(F)cc1 ZINC001687045773 1292977892 /nfs/dbraw/zinc/97/78/92/1292977892.db2.gz WRURWKBAISNCOL-CABCVRRESA-N 0 1 352.410 0.498 10 0 FCAEMN O=C(NCCCNC(=O)[C@H]1CCn2cncc2C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001687067048 1292980978 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O=C(c1cc(Br)cn2ncnc12)N1CC[C@H](c2nn[nH]n2)C1 ZINC001643391288 1290882741 /nfs/dbraw/zinc/88/27/41/1290882741.db2.gz VFDWPCFCYFXUTQ-ZETCQYMHSA-N 0 1 363.179 0.635 10 0 FCAEMN CCN1CC[C@@H]1CNC(=O)c1nc(C)n(-c2nc(C(F)(F)F)n[nH]2)n1 ZINC001643510373 1290900914 /nfs/dbraw/zinc/90/09/14/1290900914.db2.gz GQMSETMWMLKSOO-MRVPVSSYSA-N 0 1 358.328 0.537 10 0 FCAEMN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N(Cc1nn[nH]n1)CC(C)C ZINC001643820213 1290917126 /nfs/dbraw/zinc/91/71/26/1290917126.db2.gz HRWBNEQNTROEAI-ZDUSSCGKSA-N 0 1 372.495 0.779 10 0 FCAEMN C[C@H](C(=O)N1CCSc2ccccc21)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001643819110 1290917833 /nfs/dbraw/zinc/91/78/33/1290917833.db2.gz ZJSOZGKDPUQJKH-IJLUTSLNSA-N 0 1 362.455 0.032 10 0 FCAEMN CCS(=O)(=O)N1CCC[C@H](C(=O)N(Cc2nn[nH]n2)CC(C)C)C1 ZINC001643820030 1290918271 /nfs/dbraw/zinc/91/82/71/1290918271.db2.gz BRLLYDJKBSZPJX-LBPRGKRZSA-N 0 1 358.468 0.246 10 0 FCAEMN C[C@@H]1Cc2cc(C(=O)NCc3n[nH]c(=O)n3C)ccc2N1S(C)(=O)=O ZINC001643828212 1290919716 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0.543 10 0 FCAEMN CS(=O)(=O)N1CC(C[N@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)C1 ZINC001644685205 1290972750 /nfs/dbraw/zinc/97/27/50/1290972750.db2.gz PXGZOSJRACYRPH-INIZCTEOSA-N 0 1 351.472 0.772 10 0 FCAEMN CS(=O)(=O)N1CC(CN2CCC[C@H](NC(=O)c3ccccc3)C2)C1 ZINC001644685205 1290972752 /nfs/dbraw/zinc/97/27/52/1290972752.db2.gz PXGZOSJRACYRPH-INIZCTEOSA-N 0 1 351.472 0.772 10 0 FCAEMN COC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1nn[n-]n1 ZINC001644688820 1290973816 /nfs/dbraw/zinc/97/38/16/1290973816.db2.gz ICFKOHNCMQJJHE-BXKDBHETSA-N 0 1 364.793 0.710 10 0 FCAEMN COC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1nn[nH]n1 ZINC001644688820 1290973821 /nfs/dbraw/zinc/97/38/21/1290973821.db2.gz ICFKOHNCMQJJHE-BXKDBHETSA-N 0 1 364.793 0.710 10 0 FCAEMN COC[C@H](NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1nn[n-]n1 ZINC001644689380 1290973845 /nfs/dbraw/zinc/97/38/45/1290973845.db2.gz RZUFKXQTCYNLIG-NSHDSACASA-N 0 1 359.321 0.002 10 0 FCAEMN COC[C@H](NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1nn[nH]n1 ZINC001644689380 1290973849 /nfs/dbraw/zinc/97/38/49/1290973849.db2.gz RZUFKXQTCYNLIG-NSHDSACASA-N 0 1 359.321 0.002 10 0 FCAEMN CSCc1n[nH]c(CNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)n1 ZINC001644877537 1290992963 /nfs/dbraw/zinc/99/29/63/1290992963.db2.gz LXIGBCDAVCBQGG-UHFFFAOYSA-N 0 1 374.426 0.790 10 0 FCAEMN CSCc1nnc(CNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)[nH]1 ZINC001644877537 1290992967 /nfs/dbraw/zinc/99/29/67/1290992967.db2.gz LXIGBCDAVCBQGG-UHFFFAOYSA-N 0 1 374.426 0.790 10 0 FCAEMN COc1ccc(-c2nn(CC(=O)NC[C@@H](O)c3cnc[nH]3)cc2C=O)cc1 ZINC001645328221 1291018526 /nfs/dbraw/zinc/01/85/26/1291018526.db2.gz ZXKIMPYJOTWOSG-MRXNPFEDSA-N 0 1 369.381 0.944 10 0 FCAEMN CN(CCCNC(=O)c1ccc(Cc2nc[nH]n2)cc1)S(C)(=O)=O ZINC001645347206 1291020811 /nfs/dbraw/zinc/02/08/11/1291020811.db2.gz LDJMUDXROHIZHA-UHFFFAOYSA-N 0 1 351.432 0.407 10 0 FCAEMN C[C@H](CC(=O)NCc1n[nH]c(CS(C)(=O)=O)n1)NC(=O)C1CCCC1 ZINC001645433811 1291026050 /nfs/dbraw/zinc/02/60/50/1291026050.db2.gz SELPYGUBQDMACD-SNVBAGLBSA-N 0 1 371.463 0.051 10 0 FCAEMN COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC001645438260 1291029994 /nfs/dbraw/zinc/02/99/94/1291029994.db2.gz JACQHZNHIWDZDD-LSDHHAIUSA-N 0 1 365.430 0.976 10 0 FCAEMN CN(CC(=O)N1C[C@@]2(CO)CCCC[C@@]2(CO)C1)c1ncnc2[nH]cnc21 ZINC001646202376 1291061814 /nfs/dbraw/zinc/06/18/14/1291061814.db2.gz RAAMWZTZNPAROJ-HDICACEKSA-N 0 1 374.445 0.163 10 0 FCAEMN COC(=O)C1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCN(C)C1)CCS2(=O)=O ZINC001646622648 1291068579 /nfs/dbraw/zinc/06/85/79/1291068579.db2.gz CHYPJIHTRFRYAZ-XCCIUEIHSA-N 0 1 372.487 0.343 10 0 FCAEMN COC(=O)C1CCN(C(=O)[C@H](C)N[C@H]2CCO[C@H]2c2nc(C)no2)CC1 ZINC001647939575 1291086507 /nfs/dbraw/zinc/08/65/07/1291086507.db2.gz QXBWOVJETKNRIZ-LEWSCRJBSA-N 0 1 366.418 0.598 10 0 FCAEMN COC(=O)[C@H]1CN(C(=O)c2cc(-c3ccccc3O)[nH]n2)C[C@@H]1C(=O)OC ZINC001647950039 1291087787 /nfs/dbraw/zinc/08/77/87/1291087787.db2.gz RUNWLWMPYPYIIF-RYUDHWBXSA-N 0 1 373.365 0.817 10 0 FCAEMN C[C@@H]1NC(C(=O)N2CC[C@H](c3[nH]ncc3N)C2)=NN(c2ccccc2)C1=O ZINC001647954364 1291088822 /nfs/dbraw/zinc/08/88/22/1291088822.db2.gz SYAJJNGXXJTAND-RYUDHWBXSA-N 0 1 367.413 0.646 10 0 FCAEMN CCc1nc([C@@H]2C[C@@H](O)CN2C(=O)C2=NN(CC(C)C)C(=O)CC2)n[nH]1 ZINC001648081378 1291100910 /nfs/dbraw/zinc/10/09/10/1291100910.db2.gz AVIQBVZPFPNHDO-YPMHNXCESA-N 0 1 362.434 0.636 10 0 FCAEMN COC(=O)[C@@H]1CN(Cc2n[nH]c(C)n2)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001648436335 1291120486 /nfs/dbraw/zinc/12/04/86/1291120486.db2.gz BRLWUCPCGMHJKS-LBPRGKRZSA-N 0 1 365.434 0.955 10 0 FCAEMN Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN[C@@H](Cc2ccccc2)C1 ZINC001648517211 1291127986 /nfs/dbraw/zinc/12/79/86/1291127986.db2.gz MLEDIAYPDLBLGE-AWEZNQCLSA-N 0 1 362.455 0.329 10 0 FCAEMN CCc1nc([C@H](C)N2CC[C@@H]3CN(C(=O)CCNC(N)=O)C[C@@H]3C2)n[nH]1 ZINC001649434501 1291150761 /nfs/dbraw/zinc/15/07/61/1291150761.db2.gz VVMMZIMIEXBTNG-XQQFMLRXSA-N 0 1 363.466 0.267 10 0 FCAEMN C[C@@H](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)NCc1nc2ccccc2o1 ZINC001649443485 1291150899 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KXJOFJILMRQMJO-BXKDBHETSA-N 0 1 374.405 0.731 10 0 FCAEMN Cc1nn(C)c(-n2cccn2)c1C(=O)NCc1nnc([C@H]2CCOC2)[nH]1 ZINC001651148880 1291199820 /nfs/dbraw/zinc/19/98/20/1291199820.db2.gz ZTYLMXVFDSQOQP-NSHDSACASA-N 0 1 356.390 0.466 10 0 FCAEMN Cc1nn(C)c(-n2cccn2)c1C(=O)NCc1n[nH]c([C@H]2CCOC2)n1 ZINC001651148880 1291199821 /nfs/dbraw/zinc/19/98/21/1291199821.db2.gz ZTYLMXVFDSQOQP-NSHDSACASA-N 0 1 356.390 0.466 10 0 FCAEMN CN(CC(=O)NCCc1ccc(O)c(CO)c1)c1ncnc2[nH]cnc21 ZINC001651178297 1291202362 /nfs/dbraw/zinc/20/23/62/1291202362.db2.gz UXGROWHSBUQJPI-UHFFFAOYSA-N 0 1 356.386 0.346 10 0 FCAEMN CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC001651185073 1291203702 /nfs/dbraw/zinc/20/37/02/1291203702.db2.gz NULTWVTUCSMOLM-STQMWFEESA-N 0 1 350.419 0.551 10 0 FCAEMN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC001651213882 1291208217 /nfs/dbraw/zinc/20/82/17/1291208217.db2.gz NVKUZTYCGFAYGB-LBPRGKRZSA-N 0 1 364.450 0.320 10 0 FCAEMN 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/nfs/dbraw/zinc/34/60/56/1292346056.db2.gz MLNJVNVBYYJXHP-LSDHHAIUSA-N 0 1 357.414 0.808 10 0 FCAEMN Cn1c(CNC(=O)NCCCS(=O)(=O)Cc2ccccc2)n[nH]c1=O ZINC001684886405 1292352540 /nfs/dbraw/zinc/35/25/40/1292352540.db2.gz MSOHCEHYUNMZGM-UHFFFAOYSA-N 0 1 367.431 0.325 10 0 FCAEMN CCC(=O)NCC(=O)N1CC[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)[C@H]1CC ZINC001684928356 1292368987 /nfs/dbraw/zinc/36/89/87/1292368987.db2.gz SXHPQBYOMPCUSB-AEGPPILISA-N 0 1 363.462 0.610 10 0 FCAEMN CS(=O)(=O)Cc1nc(CNC(=O)NCc2ccc(O)c(Cl)c2)n[nH]1 ZINC001684970954 1292387144 /nfs/dbraw/zinc/38/71/44/1292387144.db2.gz IXPNDNISXLMOEW-UHFFFAOYSA-N 0 1 373.822 0.708 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)CCc2ncccn2)CCN1C(=O)Cc1c[nH]cn1 ZINC001684983122 1292390284 /nfs/dbraw/zinc/39/02/84/1292390284.db2.gz HAAGMISYWSAZGU-LSDHHAIUSA-N 0 1 356.430 0.871 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]nn2)CCN1C(=O)[C@]1(F)CCOC1 ZINC001685004163 1292399137 /nfs/dbraw/zinc/39/91/37/1292399137.db2.gz PBVMTCGTQUIHHU-ZENOOKHLSA-N 0 1 353.398 0.362 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)CCc2cnn[nH]2)CCN1C(=O)[C@]1(F)CCOC1 ZINC001685004163 1292399149 /nfs/dbraw/zinc/39/91/49/1292399149.db2.gz PBVMTCGTQUIHHU-ZENOOKHLSA-N 0 1 353.398 0.362 10 0 FCAEMN CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2cccc3n[nH]cc32)[C@@H]1C ZINC001685169375 1292440569 /nfs/dbraw/zinc/44/05/69/1292440569.db2.gz QEQAWVDIWDNFCC-ABAIWWIYSA-N 0 1 357.414 0.760 10 0 FCAEMN CCN(CC)C[C@H](F)C(=O)N1CC[C@H](NC(=O)CN(C)C(C)=O)[C@H]1C ZINC001685168490 1292440884 /nfs/dbraw/zinc/44/08/84/1292440884.db2.gz FASCQZIHEQBFTK-SNPRPXQTSA-N 0 1 358.458 0.250 10 0 FCAEMN CSCc1n[nH]c(CNC(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)n1 ZINC001685248699 1292468547 /nfs/dbraw/zinc/46/85/47/1292468547.db2.gz MYHKHRBIUYHOEE-SNVBAGLBSA-N 0 1 361.493 0.634 10 0 FCAEMN CSCc1nnc(CNC(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)[nH]1 ZINC001685248699 1292468555 /nfs/dbraw/zinc/46/85/55/1292468555.db2.gz MYHKHRBIUYHOEE-SNVBAGLBSA-N 0 1 361.493 0.634 10 0 FCAEMN CCOC(=O)[C@@]1(CNC(=O)NCc2nc(CSC)n[nH]2)CCCOC1 ZINC001685248683 1292468798 /nfs/dbraw/zinc/46/87/98/1292468798.db2.gz MRCWZXCSGGTLRO-OAHLLOKOSA-N 0 1 371.463 0.827 10 0 FCAEMN CCOC(=O)[C@@]1(CNC(=O)NCc2nnc(CSC)[nH]2)CCCOC1 ZINC001685248683 1292468801 /nfs/dbraw/zinc/46/88/01/1292468801.db2.gz MRCWZXCSGGTLRO-OAHLLOKOSA-N 0 1 371.463 0.827 10 0 FCAEMN CCN(CC)C[C@@H](F)C(=O)N[C@H]1CCN(C(=O)c2n[nH]nc2C)[C@@H]1C ZINC001685261258 1292471731 /nfs/dbraw/zinc/47/17/31/1292471731.db2.gz KETRUTOAMAFTMM-UPJWGTAASA-N 0 1 354.430 0.512 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)CCc2cnc[nH]2)CCN1C(=O)c1cn2cccnc2n1 ZINC001685275000 1292479916 /nfs/dbraw/zinc/47/99/16/1292479916.db2.gz YWOHLYXELQHRGH-OCCSQVGLSA-N 0 1 367.413 0.804 10 0 FCAEMN CN(Cc1cnc[nH]1)C(=O)NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC001685290120 1292484730 /nfs/dbraw/zinc/48/47/30/1292484730.db2.gz ZUGZDQCBIDKWPP-UHFFFAOYSA-N 0 1 360.296 0.576 10 0 FCAEMN CCNC(=O)CCC(=O)N1CC[C@H](NC(=O)[C@H]2CCCCN2C)[C@H]1C ZINC001685298981 1292489551 /nfs/dbraw/zinc/48/95/51/1292489551.db2.gz VTSNAFCEKIYBIK-QLFBSQMISA-N 0 1 352.479 0.493 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)CCc2c[nH]nn2)CCN1C(=O)c1cc(Cl)no1 ZINC001685395500 1292526322 /nfs/dbraw/zinc/52/63/22/1292526322.db2.gz GMIHGLZBAOPWRP-SCZZXKLOSA-N 0 1 352.782 0.798 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)CCc2cnn[nH]2)CCN1C(=O)c1cc(Cl)no1 ZINC001685395500 1292526325 /nfs/dbraw/zinc/52/63/25/1292526325.db2.gz GMIHGLZBAOPWRP-SCZZXKLOSA-N 0 1 352.782 0.798 10 0 FCAEMN C[C@@H]1CN(C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)C[C@@H](C2CC2)O1 ZINC001685415078 1292529639 /nfs/dbraw/zinc/52/96/39/1292529639.db2.gz ASCXHAUEOYGMPP-KOLCDFICSA-N 0 1 357.436 0.058 10 0 FCAEMN CS(=O)(=O)Cc1nc(CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)n[nH]1 ZINC001685497168 1292541105 /nfs/dbraw/zinc/54/11/05/1292541105.db2.gz NYDIJPHSFDFSIF-JTQLQIEISA-N 0 1 367.435 0.162 10 0 FCAEMN C[C@]12CN(C(=O)CCOCC(F)F)C[C@H]1CN(C(=O)Cc1ncn[nH]1)C2 ZINC001685536272 1292550648 /nfs/dbraw/zinc/55/06/48/1292550648.db2.gz UYJHFVYFEPGZME-MEDUHNTESA-N 0 1 371.388 0.326 10 0 FCAEMN CCOCC1(C(=O)N2C[C@@H]3CN(C(=O)Cc4ncn[nH]4)C[C@]3(C)C2)CC1 ZINC001685573026 1292563108 /nfs/dbraw/zinc/56/31/08/1292563108.db2.gz BIQCKUARGTYKDQ-SUMWQHHRSA-N 0 1 361.446 0.471 10 0 FCAEMN CNC(=O)CCCCC(=O)N1C[C@@H](CNC(=O)[C@@H]2CCCN2C)[C@H](C)C1 ZINC001685625060 1292576590 /nfs/dbraw/zinc/57/65/90/1292576590.db2.gz DKFIIVBRRKZIEB-OAGGEKHMSA-N 0 1 366.506 0.598 10 0 FCAEMN C[C@@H]1CN(C(=O)c2cnc3n[nH]cc3c2)C[C@H]1CNC(=O)CN1CCCC1 ZINC001685673735 1292589641 /nfs/dbraw/zinc/58/96/41/1292589641.db2.gz KNLLVUUCHUYCNQ-CZUORRHYSA-N 0 1 370.457 0.878 10 0 FCAEMN C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1CNC(=O)Cc1cncs1 ZINC001685692536 1292598208 /nfs/dbraw/zinc/59/82/08/1292598208.db2.gz QVLOLXVPEIYNID-NFAWXSAZSA-N 0 1 350.488 0.991 10 0 FCAEMN C[C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1CNC(=O)C(C)(C)C(N)=O ZINC001685692560 1292598300 /nfs/dbraw/zinc/59/83/00/1292598300.db2.gz RWNLVIYAECIPRE-VXGBXAGGSA-N 0 1 363.462 0.410 10 0 FCAEMN C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1CNC(=O)CCCCc1cn[nH]n1 ZINC001685721428 1292609949 /nfs/dbraw/zinc/60/99/49/1292609949.db2.gz AZJHNXUQKNPSCX-CHWSQXEVSA-N 0 1 359.434 0.765 10 0 FCAEMN C[C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001685769978 1292626225 /nfs/dbraw/zinc/62/62/25/1292626225.db2.gz LTMUXOLCUUEUNH-GHMZBOCLSA-N 0 1 370.413 0.048 10 0 FCAEMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001685791081 1292637060 /nfs/dbraw/zinc/63/70/60/1292637060.db2.gz PNQYEVFPDULYJI-AAVRWANBSA-N 0 1 371.445 0.095 10 0 FCAEMN C[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1CNC(=O)Cc1cnc[nH]1 ZINC001685796836 1292640709 /nfs/dbraw/zinc/64/07/09/1292640709.db2.gz MTEYENCVFVSCBV-GHMZBOCLSA-N 0 1 364.837 0.864 10 0 FCAEMN CO[C@H](C)CC(=O)NCC[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1C ZINC001685827068 1292646703 /nfs/dbraw/zinc/64/67/03/1292646703.db2.gz FTDUTEDYHMWBMG-MGPQQGTHSA-N 0 1 351.451 0.763 10 0 FCAEMN CO[C@H](C)CC(=O)NCC[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1C ZINC001685827068 1292646719 /nfs/dbraw/zinc/64/67/19/1292646719.db2.gz FTDUTEDYHMWBMG-MGPQQGTHSA-N 0 1 351.451 0.763 10 0 FCAEMN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1CCNC(=O)CN(C)C1CCC1 ZINC001685858865 1292664875 /nfs/dbraw/zinc/66/48/75/1292664875.db2.gz HNCUWEYJMBZXFO-ZIAGYGMSSA-N 0 1 362.478 0.514 10 0 FCAEMN CC(=O)NC(C)(C)C(=O)NCC[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1C ZINC001685866642 1292668606 /nfs/dbraw/zinc/66/86/06/1292668606.db2.gz LGPQGXANEMANMC-BXUZGUMPSA-N 0 1 363.462 0.847 10 0 FCAEMN C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1CCNC(=O)[C@H]1CCCN1C ZINC001685876058 1292673400 /nfs/dbraw/zinc/67/34/00/1292673400.db2.gz VBEMBISXHQMLJZ-BRWVUGGUSA-N 0 1 366.506 0.014 10 0 FCAEMN C[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001685884621 1292679131 /nfs/dbraw/zinc/67/91/31/1292679131.db2.gz PLFYLQZGVFMRAS-VXGBXAGGSA-N 0 1 360.418 0.306 10 0 FCAEMN C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2nnc[nH]2)C1)n1cccn1 ZINC001685891862 1292682470 /nfs/dbraw/zinc/68/24/70/1292682470.db2.gz CGYRDSMXMRMGDI-MGPQQGTHSA-N 0 1 359.434 0.406 10 0 FCAEMN Cc1nnccc1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2nnc[nH]2)C1 ZINC001685892418 1292682883 /nfs/dbraw/zinc/68/28/83/1292682883.db2.gz ZDOQOFKLFHRNFB-DGCLKSJQSA-N 0 1 357.418 0.360 10 0 FCAEMN C[C@@H]1CN(C(=O)[C@H]2CCCCN2C)C[C@H]1CCNC(=O)Cn1cncn1 ZINC001685892252 1292683888 /nfs/dbraw/zinc/68/38/88/1292683888.db2.gz RJFUOAROPVLRJJ-BZUAXINKSA-N 0 1 362.478 0.363 10 0 FCAEMN Cc1cnn(C)c1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cc2cnc[nH]2)C1 ZINC001685895962 1292684199 /nfs/dbraw/zinc/68/41/99/1292684199.db2.gz UUGWDHBORYRRIL-ZIAGYGMSSA-N 0 1 358.446 0.909 10 0 FCAEMN COC[C@H](C)C(=O)NC[C@]12CCC[C@H]1N(C(=O)CCc1c[nH]nn1)CC2 ZINC001685908557 1292690347 /nfs/dbraw/zinc/69/03/47/1292690347.db2.gz AYTRNOHCZADZTP-JCKWVBRZSA-N 0 1 363.462 0.907 10 0 FCAEMN COC[C@H](C)C(=O)NC[C@]12CCC[C@H]1N(C(=O)CCc1cnn[nH]1)CC2 ZINC001685908557 1292690353 /nfs/dbraw/zinc/69/03/53/1292690353.db2.gz AYTRNOHCZADZTP-JCKWVBRZSA-N 0 1 363.462 0.907 10 0 FCAEMN Cc1nc(CC(=O)NC[C@]23CCC[C@H]2N(C(=O)c2ncc[nH]2)CC3)n[nH]1 ZINC001685914794 1292693348 /nfs/dbraw/zinc/69/33/48/1292693348.db2.gz RBKDUBMICPCEPN-SJKOYZFVSA-N 0 1 357.418 0.580 10 0 FCAEMN CCC1(O)CCC(NC(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)CC1 ZINC001685923363 1292697659 /nfs/dbraw/zinc/69/76/59/1292697659.db2.gz KHPQWZDVNYAZKZ-UHFFFAOYSA-N 0 1 359.452 0.232 10 0 FCAEMN CN(C)C(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1C)C2 ZINC001685978387 1292715675 /nfs/dbraw/zinc/71/56/75/1292715675.db2.gz GAMKXSAKGMJYNQ-UGUYLWEFSA-N 0 1 364.490 0.587 10 0 FCAEMN Cc1nc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)OCC2CC2)n[nH]1 ZINC001685999592 1292724220 /nfs/dbraw/zinc/72/42/20/1292724220.db2.gz FONBBSIOVJVPSB-PUPMMZHASA-N 0 1 361.446 0.719 10 0 FCAEMN C[C@H](CN1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1ccc[nH]1 ZINC001686012050 1292729681 /nfs/dbraw/zinc/72/96/81/1292729681.db2.gz DXJDSIZBTHQLIJ-BGTYHANMSA-N 0 1 374.485 0.774 10 0 FCAEMN CS(=O)(=O)Cc1nc(CNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)n[nH]1 ZINC001686019016 1292732687 /nfs/dbraw/zinc/73/26/87/1292732687.db2.gz AAMKYBUMTXLUBJ-GHMZBOCLSA-N 0 1 357.436 0.106 10 0 FCAEMN CNC(=O)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCCN2C)C3)CC1 ZINC001686044637 1292742576 /nfs/dbraw/zinc/74/25/76/1292742576.db2.gz XWDOUQNZXDGDDT-QPSCCSFWSA-N 0 1 362.474 0.245 10 0 FCAEMN CCO[C@@H]1COCC[C@@H]1NC(=O)NCc1n[nH]c(C2CCOCC2)n1 ZINC001686070900 1292755968 /nfs/dbraw/zinc/75/59/68/1292755968.db2.gz VZAUGJJYHBUDJS-QWHCGFSZSA-N 0 1 353.423 0.692 10 0 FCAEMN Cc1cc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=NC(=O)N(C)C2)no1 ZINC001686093737 1292763445 /nfs/dbraw/zinc/76/34/45/1292763445.db2.gz ATFJIWHKZFEWIR-IPYPFGDCSA-N 0 1 373.413 0.917 10 0 FCAEMN O=C(CCc1c[nH]nn1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1cncs1 ZINC001686101280 1292767428 /nfs/dbraw/zinc/76/74/28/1292767428.db2.gz RDXMUDJLPAMWCO-XBFCOCLRSA-N 0 1 360.443 0.685 10 0 FCAEMN O=C(CCc1cnn[nH]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1cncs1 ZINC001686101280 1292767439 /nfs/dbraw/zinc/76/74/39/1292767439.db2.gz RDXMUDJLPAMWCO-XBFCOCLRSA-N 0 1 360.443 0.685 10 0 FCAEMN COc1nccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2c[nH]nn2)C3)n1 ZINC001686101177 1292767527 /nfs/dbraw/zinc/76/75/27/1292767527.db2.gz NAVDOCRSDZZATD-XBFCOCLRSA-N 0 1 371.401 0.098 10 0 FCAEMN COc1nccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2cnn[nH]2)C3)n1 ZINC001686101177 1292767532 /nfs/dbraw/zinc/76/75/32/1292767532.db2.gz NAVDOCRSDZZATD-XBFCOCLRSA-N 0 1 371.401 0.098 10 0 FCAEMN CN(CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C)C2)C(=O)C1CC1 ZINC001686134354 1292781222 /nfs/dbraw/zinc/78/12/22/1292781222.db2.gz ACPRJRNDOWVRLU-WCVJEAGWSA-N 0 1 362.474 0.197 10 0 FCAEMN CC(=O)N(C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1C)C2 ZINC001686135021 1292782574 /nfs/dbraw/zinc/78/25/74/1292782574.db2.gz ZEQGYVQVIBLWIE-WCXIOVBPSA-N 0 1 364.490 0.587 10 0 FCAEMN COc1cccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2nc[nH]n2)C3)n1 ZINC001686140989 1292784508 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/nfs/dbraw/zinc/70/10/69/490701069.db2.gz JUHRXLFHJZLGIV-CFVMTHIKSA-N 0 1 356.430 0.596 10 0 FCAEMN CNC(=O)Cn1cc(NC(=O)NC2CCN(Cc3ccncc3)CC2)cn1 ZINC000537883413 490701998 /nfs/dbraw/zinc/70/19/98/490701998.db2.gz QYZNPYPTXWZDHG-UHFFFAOYSA-N 0 1 371.445 0.810 10 0 FCAEMN COCCN(C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000538079592 490709480 /nfs/dbraw/zinc/70/94/80/490709480.db2.gz WMIZNMXOWOITTR-SMDDNHRTSA-N 0 1 358.464 0.494 10 0 FCAEMN COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc2c(cc1C)OCO2 ZINC000513151905 490711654 /nfs/dbraw/zinc/71/16/54/490711654.db2.gz ZFVIYLGMQVAQDM-ZDUSSCGKSA-N 0 1 363.414 0.889 10 0 FCAEMN CN1CCN(c2cccc(C(=O)N[C@@H](CO)Cc3ccncc3)n2)CC1 ZINC000527257706 490712131 /nfs/dbraw/zinc/71/21/31/490712131.db2.gz MJMWQKGTZIRISH-MRXNPFEDSA-N 0 1 355.442 0.562 10 0 FCAEMN Cc1nc([C@@H]2CCCCN2C(=O)COCC(=O)NCc2cccnc2)n[nH]1 ZINC000513267827 490718530 /nfs/dbraw/zinc/71/85/30/490718530.db2.gz OBHOGKQSLSZPCS-HNNXBMFYSA-N 0 1 372.429 0.895 10 0 FCAEMN CC(C)CN1CCO[C@H](CNC(=O)Cn2ncc3c2C[C@H](O)CC3)C1 ZINC000527368629 490719635 /nfs/dbraw/zinc/71/96/35/490719635.db2.gz CBZDYYPDKHBLCQ-HZPDHXFCSA-N 0 1 350.463 0.206 10 0 FCAEMN CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)c1 ZINC000538227749 490721108 /nfs/dbraw/zinc/72/11/08/490721108.db2.gz DMZVYGGFEXZHGF-NSHDSACASA-N 0 1 350.404 0.128 10 0 FCAEMN CN(C)c1nccc(CNC(=O)c2ccnc(N3CCN(C)CC3)c2)n1 ZINC000538317929 490726167 /nfs/dbraw/zinc/72/61/67/490726167.db2.gz LJKAARMMBYTJKB-UHFFFAOYSA-N 0 1 355.446 0.619 10 0 FCAEMN CN1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)cn2)[C@@H]1c1ccccc1 ZINC000538423727 490733094 /nfs/dbraw/zinc/73/30/94/490733094.db2.gz KNFCMZJFNGGTNY-ZBFHGGJFSA-N 0 1 360.439 0.904 10 0 FCAEMN Cc1c(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)cccc1S(N)(=O)=O ZINC000513808662 490749355 /nfs/dbraw/zinc/74/93/55/490749355.db2.gz WPEYMNGSRXADSN-CQSZACIVSA-N 0 1 369.487 0.729 10 0 FCAEMN C[C@@H]1CN(CCCNC(=O)c2cn(C[C@H]3CCOC3)nn2)C[C@@H](C)O1 ZINC000527771705 490758709 /nfs/dbraw/zinc/75/87/09/490758709.db2.gz LYZVARIHVNGWFA-RBSFLKMASA-N 0 1 351.451 0.544 10 0 FCAEMN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N2CCC(C)(N3CCOCC3)CC2)CC1=O ZINC000527809812 490760645 /nfs/dbraw/zinc/76/06/45/490760645.db2.gz KHAVFKTUAWHKCU-BZUAXINKSA-N 0 1 364.490 0.892 10 0 FCAEMN Cc1cccc2nc(CNC(=O)NCC3CN(S(C)(=O)=O)C3)[nH]c21 ZINC000488477825 490761725 /nfs/dbraw/zinc/76/17/25/490761725.db2.gz KGCQRDBTYHLNHH-UHFFFAOYSA-N 0 1 351.432 0.562 10 0 FCAEMN CCN1CCN(CC(=O)N2CCC(CNC(=O)c3ccccn3)CC2)CC1 ZINC000539035292 490761882 /nfs/dbraw/zinc/76/18/82/490761882.db2.gz PYHZJHDQJXNBHH-UHFFFAOYSA-N 0 1 373.501 0.688 10 0 FCAEMN Cn1cc(OCC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000503678944 490770836 /nfs/dbraw/zinc/77/08/36/490770836.db2.gz BRVICUIELZYNLW-AEFFLSMTSA-N 0 1 358.442 0.798 10 0 FCAEMN CN1CCN(c2ccc(NC(=O)c3cn(C[C@H]4CCOC4)nn3)nc2)CC1 ZINC000528022612 490771727 /nfs/dbraw/zinc/77/17/27/490771727.db2.gz LAEHNBQJJNAXAI-CQSZACIVSA-N 0 1 371.445 0.714 10 0 FCAEMN C[C@H]1CSCCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)C1 ZINC000488689216 490771953 /nfs/dbraw/zinc/77/19/53/490771953.db2.gz VICRMFBCPVVRGQ-SECBINFHSA-N 0 1 361.427 0.812 10 0 FCAEMN CC(C)C[C@@H]1NC(=O)N(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)C1=O ZINC000503736837 490774212 /nfs/dbraw/zinc/77/42/12/490774212.db2.gz UUODMQZKBCGXJS-CABCVRRESA-N 0 1 368.478 0.426 10 0 FCAEMN CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)C(N)=O ZINC000503741212 490774334 /nfs/dbraw/zinc/77/43/34/490774334.db2.gz VXVSCVQWYOHGGO-UONOGXRCSA-N 0 1 370.413 0.515 10 0 FCAEMN CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)C(N)=O ZINC000503741212 490774339 /nfs/dbraw/zinc/77/43/39/490774339.db2.gz VXVSCVQWYOHGGO-UONOGXRCSA-N 0 1 370.413 0.515 10 0 FCAEMN O=C1CCc2cc(OC[C@@H](O)CNCc3cccc(CO)n3)ccc2N1 ZINC000514673258 490780666 /nfs/dbraw/zinc/78/06/66/490780666.db2.gz HJMZNTINKFOGDW-INIZCTEOSA-N 0 1 357.410 0.988 10 0 FCAEMN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2CCO[C@H](C3CC3)C2)C1 ZINC000514681142 490782403 /nfs/dbraw/zinc/78/24/03/490782403.db2.gz KVQDBJZORBWZPO-HOTGVXAUSA-N 0 1 353.463 0.097 10 0 FCAEMN CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CNC(N)=O)CC1 ZINC000539526099 490787923 /nfs/dbraw/zinc/78/79/23/490787923.db2.gz OEEDYQFKGMVRHY-UHFFFAOYSA-N 0 1 373.379 0.742 10 0 FCAEMN NS(=O)(=O)N1CCN(CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000528379552 490793083 /nfs/dbraw/zinc/79/30/83/490793083.db2.gz KWERNSDQLPJTQU-UHFFFAOYSA-N 0 1 353.488 0.896 10 0 FCAEMN CCOC(=O)C1CCN(C(=O)[C@@H](C)N[C@H](C)C2(S(C)(=O)=O)CC2)CC1 ZINC000504402112 490798364 /nfs/dbraw/zinc/79/83/64/490798364.db2.gz VXWHLMKDGHELMT-CHWSQXEVSA-N 0 1 374.503 0.732 10 0 FCAEMN CC(=O)NCCN(C)C(=O)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000515060766 490806422 /nfs/dbraw/zinc/80/64/22/490806422.db2.gz MPVOFMJTSGVUDX-KRWDZBQOSA-N 0 1 360.458 0.314 10 0 FCAEMN COCCN1CCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000515080391 490807466 /nfs/dbraw/zinc/80/74/66/490807466.db2.gz FUXNBZZCVDLNSQ-SJORKVTESA-N 0 1 367.490 0.489 10 0 FCAEMN CC(C)[C@@H](CNC(=O)c1cn(C[C@H]2CCOC2)nn1)N1CCN(C)CC1 ZINC000528552521 490808549 /nfs/dbraw/zinc/80/85/49/490808549.db2.gz MEOVBMLDWUOBQT-NVXWUHKLSA-N 0 1 364.494 0.316 10 0 FCAEMN O=S(=O)(NC[C@@H]1CCN1C1CCCC1)c1cccc(-n2cnnn2)c1 ZINC000528555241 490809198 /nfs/dbraw/zinc/80/91/98/490809198.db2.gz WFWMZVDBFCJNIH-HNNXBMFYSA-N 0 1 362.459 0.958 10 0 FCAEMN COCCN1CC[C@H](NC(=O)C(=O)N2CC3(CCCC3)OC(C)(C)C2)C1 ZINC000515240420 490814492 /nfs/dbraw/zinc/81/44/92/490814492.db2.gz GUQPKXOZGGMCIO-HNNXBMFYSA-N 0 1 367.490 0.774 10 0 FCAEMN CN(C)C(=O)CN1CCN(C(=O)CN[C@@H](c2ccccn2)C2CCC2)CC1 ZINC000528653274 490817722 /nfs/dbraw/zinc/81/77/22/490817722.db2.gz XMUNXBFOCTZXJY-HXUWFJFHSA-N 0 1 373.501 0.745 10 0 FCAEMN CC(C)(C)n1nccc1NC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000528692259 490820087 /nfs/dbraw/zinc/82/00/87/490820087.db2.gz WLUUXIYJRBFACA-UHFFFAOYSA-N 0 1 363.466 0.813 10 0 FCAEMN C[C@@H](NC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)[C@H]1CCCOC1 ZINC000505192580 490822635 /nfs/dbraw/zinc/82/26/35/490822635.db2.gz XIDHALNYGNGRAW-ZJUUUORDSA-N 0 1 359.386 0.532 10 0 FCAEMN CN1CCN(Cc2cccc(C(=O)N3CCN(C4CC4)C(=O)C3)c2)CC1 ZINC000505196368 490823251 /nfs/dbraw/zinc/82/32/51/490823251.db2.gz JLCIRNLHOIOMOG-UHFFFAOYSA-N 0 1 356.470 0.881 10 0 FCAEMN CC(=O)NCC(=O)N1CCCN(C[C@H](O)c2ccc(F)cc2C)CC1 ZINC000528734766 490824886 /nfs/dbraw/zinc/82/48/86/490824886.db2.gz ONWVCOZMUSYNFV-KRWDZBQOSA-N 0 1 351.422 0.838 10 0 FCAEMN O=S1(=O)[C@@H]2CC[C@H]1CN(CC1=Nc3ccccc3S(=O)(=O)N1)CC2 ZINC000528777968 490827827 /nfs/dbraw/zinc/82/78/27/490827827.db2.gz GYNLDVRVFUDQLI-NEPJUHHUSA-N 0 1 369.468 0.660 10 0 FCAEMN CCN1CCN(c2ccc(CNC(=O)N[C@H](CO)CCOC)cn2)CC1 ZINC000540604400 490830176 /nfs/dbraw/zinc/83/01/76/490830176.db2.gz XRWHJOABATZMBM-INIZCTEOSA-N 0 1 365.478 0.420 10 0 FCAEMN O=C(c1ncc2c(F)cccn21)N1CCC(O)(CN2CCOCC2)CC1 ZINC000528952902 490833511 /nfs/dbraw/zinc/83/35/11/490833511.db2.gz LYQZEWNMSYRKJH-UHFFFAOYSA-N 0 1 362.405 0.773 10 0 FCAEMN Cc1oc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1S(C)(=O)=O ZINC000529058638 490839432 /nfs/dbraw/zinc/83/94/32/490839432.db2.gz XYRYEBNIWHHPSR-GFCCVEGCSA-N 0 1 357.476 0.747 10 0 FCAEMN Cc1c(C(=O)NC2(c3nn[nH]n3)CC2)nnn1CCOc1ccc(F)cc1 ZINC000505989027 490846668 /nfs/dbraw/zinc/84/66/68/490846668.db2.gz CENAQUQUDDTNEQ-UHFFFAOYSA-N 0 1 372.364 0.737 10 0 FCAEMN O=C(NCCc1ccccc1F)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000529281305 490846915 /nfs/dbraw/zinc/84/69/15/490846915.db2.gz CXISWLFEEPOXOM-UHFFFAOYSA-N 0 1 363.437 0.721 10 0 FCAEMN Cc1cc(CNC(=O)N2CCN(C(=O)N3CCNCC3)CC2)ccc1F ZINC000529284483 490847309 /nfs/dbraw/zinc/84/73/09/490847309.db2.gz OMMHHRRLKAYIQT-UHFFFAOYSA-N 0 1 363.437 0.987 10 0 FCAEMN CN1CC[C@@H](N2CCC(NC(=O)c3cc4c(cn3)OCCO4)CC2)C1=O ZINC000516052475 490847821 /nfs/dbraw/zinc/84/78/21/490847821.db2.gz WFFHDVNYGXODAO-CQSZACIVSA-N 0 1 360.414 0.278 10 0 FCAEMN O=C(NCCc1cccc(O)c1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000529299653 490848174 /nfs/dbraw/zinc/84/81/74/490848174.db2.gz AJVATTSJXSFXTC-UHFFFAOYSA-N 0 1 361.446 0.287 10 0 FCAEMN CC1(C)CC[C@H](CNC(=O)N2CCN(C(=O)N3CCNCC3)CC2)O1 ZINC000529318484 490851103 /nfs/dbraw/zinc/85/11/03/490851103.db2.gz BGXYYFDCELKZEL-CQSZACIVSA-N 0 1 353.467 0.296 10 0 FCAEMN Cc1cc(C[C@H](C)NC(=O)N2CCN(C(=O)N3CCNCC3)CC2)[nH]n1 ZINC000529319971 490851485 /nfs/dbraw/zinc/85/14/85/490851485.db2.gz YAITYQRUFLWGMF-ZDUSSCGKSA-N 0 1 363.466 0.002 10 0 FCAEMN Cc1cc(C[C@@H](C)NC(=O)N2CCN(C(=O)N3CCNCC3)CC2)[nH]n1 ZINC000529319970 490851732 /nfs/dbraw/zinc/85/17/32/490851732.db2.gz YAITYQRUFLWGMF-CYBMUJFWSA-N 0 1 363.466 0.002 10 0 FCAEMN Cc1ncsc1CCNC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000529325716 490852185 /nfs/dbraw/zinc/85/21/85/490852185.db2.gz LDMRNFSCIMODBB-UHFFFAOYSA-N 0 1 366.491 0.346 10 0 FCAEMN C[C@H](NC(=O)N1CCN(C(=O)N2CCNCC2)CC1)c1cccc(O)c1 ZINC000529325042 490852225 /nfs/dbraw/zinc/85/22/25/490852225.db2.gz SWFHHKCCZRAWQF-AWEZNQCLSA-N 0 1 361.446 0.806 10 0 FCAEMN C[C@@H](CNC(=O)N1CCN(C(=O)N2CCNCC2)CC1)c1nccs1 ZINC000529327914 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CNS(=O)(=O)N1CCC(C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000671688210 493702877 /nfs/dbraw/zinc/70/28/77/493702877.db2.gz QDOQOXCIXUBIPD-UHFFFAOYSA-N 0 1 364.431 0.382 10 0 FCAEMN COc1ccc([C@@H](CNC(=O)NCc2cn(C)nn2)N(C)C)cc1OC ZINC000679949704 493702954 /nfs/dbraw/zinc/70/29/54/493702954.db2.gz APPJTAZPAMNONY-CQSZACIVSA-N 0 1 362.434 0.934 10 0 FCAEMN COc1ccc([C@H](CNC(=O)NCc2cn(C)nn2)N(C)C)cc1OC ZINC000679949702 493703046 /nfs/dbraw/zinc/70/30/46/493703046.db2.gz APPJTAZPAMNONY-AWEZNQCLSA-N 0 1 362.434 0.934 10 0 FCAEMN COCCOCCN1C(=O)C[C@H](N2CCC([C@H]3CCOC3)CC2)C1=O ZINC000680016783 493705822 /nfs/dbraw/zinc/70/58/22/493705822.db2.gz GPUAGZDLRWSLJQ-HOTGVXAUSA-N 0 1 354.447 0.525 10 0 FCAEMN COc1ccc(CCCNC(=O)C(=O)N[C@@H]2CCCN(C)C2)cc1OC ZINC000671844837 493708137 /nfs/dbraw/zinc/70/81/37/493708137.db2.gz SHSCFLSAQUYOOP-OAHLLOKOSA-N 0 1 363.458 0.963 10 0 FCAEMN C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@H](C(=O)[O-])C3CCC3)CC2)C1 ZINC000665325972 493710113 /nfs/dbraw/zinc/71/01/13/493710113.db2.gz 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ZINC000665531017 493721422 /nfs/dbraw/zinc/72/14/22/493721422.db2.gz LIOXTZKGCDMOAT-ZWKOTPCHSA-N 0 1 360.458 0.780 10 0 FCAEMN CC(C)CN1CCO[C@H](CNC(=O)CC2(n3cnnn3)CCOCC2)C1 ZINC000665538947 493721642 /nfs/dbraw/zinc/72/16/42/493721642.db2.gz WEWBMTXEKQNUJY-OAHLLOKOSA-N 0 1 366.466 0.042 10 0 FCAEMN COc1cccc(N2CC[C@@H](CNC(=O)C(=O)N[C@@H]3CCCN(C)C3)C2)c1 ZINC000672001406 493723085 /nfs/dbraw/zinc/72/30/85/493723085.db2.gz DIPJADXUTKACKX-JKSUJKDBSA-N 0 1 374.485 0.848 10 0 FCAEMN COc1cccc(N2CC[C@H](CNC(=O)C(=O)NCc3cc(C)[nH]n3)C2)c1 ZINC000672001342 493723332 /nfs/dbraw/zinc/72/33/32/493723332.db2.gz VBDNZHQREHFDKZ-CQSZACIVSA-N 0 1 371.441 0.986 10 0 FCAEMN COCCNC(=O)CN1CCN(C(=O)c2cc3[nH]cnc3cc2F)CC1 ZINC000665560603 493723549 /nfs/dbraw/zinc/72/35/49/493723549.db2.gz SDCAEZQBYFPUAM-UHFFFAOYSA-N 0 1 363.393 0.222 10 0 FCAEMN CC(C)[C@@H](NC(=O)C(=O)N[C@H]1CCCN(C)C1)c1nnc2ccccn21 ZINC000672024526 493725648 /nfs/dbraw/zinc/72/56/48/493725648.db2.gz UBNUXINVMDGLRZ-DZGCQCFKSA-N 0 1 358.446 0.753 10 0 FCAEMN COCc1cncc(C(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000680931606 493737136 /nfs/dbraw/zinc/73/71/36/493737136.db2.gz WXBDSQVDBRZBRK-INIZCTEOSA-N 0 1 369.487 0.809 10 0 FCAEMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NC1(CCO)CCOCC1 ZINC000680935693 493737515 /nfs/dbraw/zinc/73/75/15/493737515.db2.gz OMDSETDKQBPIEC-GFCCVEGCSA-N 0 1 360.414 0.729 10 0 FCAEMN CN(CC1CN(C)C1)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000665850079 493741370 /nfs/dbraw/zinc/74/13/70/493741370.db2.gz DRMBIGGDXHHZNC-UHFFFAOYSA-N 0 1 366.487 0.947 10 0 FCAEMN CC(C)c1cc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)n(-c2ncccn2)n1 ZINC000681045866 493741944 /nfs/dbraw/zinc/74/19/44/493741944.db2.gz XPDJUROTKLVIBA-CYBMUJFWSA-N 0 1 371.445 0.935 10 0 FCAEMN COc1cc2c(cc1NC(=O)C(=O)N[C@H]1CCCN(C)C1)NC(=O)CC2 ZINC000681045392 493742124 /nfs/dbraw/zinc/74/21/24/493742124.db2.gz PRDMFDREPPNMEW-LBPRGKRZSA-N 0 1 360.414 0.729 10 0 FCAEMN CN1CCN(C)[C@H](CNC(=O)NCc2noc(-c3cccc(F)c3)n2)C1 ZINC000665908403 493744006 /nfs/dbraw/zinc/74/40/06/493744006.db2.gz TXZDOIDDDFXCJN-CQSZACIVSA-N 0 1 362.409 0.921 10 0 FCAEMN COCc1nc(CNC(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)n[nH]1 ZINC000666113875 493756801 /nfs/dbraw/zinc/75/68/01/493756801.db2.gz ZCHAWGWCWJPXOH-RISCZKNCSA-N 0 1 353.423 0.461 10 0 FCAEMN COCc1nnc(CNC(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)[nH]1 ZINC000666113875 493756802 /nfs/dbraw/zinc/75/68/02/493756802.db2.gz ZCHAWGWCWJPXOH-RISCZKNCSA-N 0 1 353.423 0.461 10 0 FCAEMN CCCCNC(=O)[C@H]1CCCN(C(=O)NCc2n[nH]c(COC)n2)C1 ZINC000666121357 493757735 /nfs/dbraw/zinc/75/77/35/493757735.db2.gz HPDJIQYIDGAGIT-LBPRGKRZSA-N 0 1 352.439 0.789 10 0 FCAEMN CCCCNC(=O)[C@H]1CCCN(C(=O)NCc2nnc(COC)[nH]2)C1 ZINC000666121357 493757736 /nfs/dbraw/zinc/75/77/36/493757736.db2.gz HPDJIQYIDGAGIT-LBPRGKRZSA-N 0 1 352.439 0.789 10 0 FCAEMN COCc1nc(CNC(=O)N2CCN(Cc3ccccc3OC)CC2)n[nH]1 ZINC000666121424 493758292 /nfs/dbraw/zinc/75/82/92/493758292.db2.gz KHXDGIYKQDVUCI-UHFFFAOYSA-N 0 1 374.445 0.987 10 0 FCAEMN COCc1nc(CNC(=O)N2CCN(c3nc(C)cs3)CC2)n[nH]1 ZINC000666122674 493758500 /nfs/dbraw/zinc/75/85/00/493758500.db2.gz SHYHJOOZXABVPL-UHFFFAOYSA-N 0 1 351.436 0.748 10 0 FCAEMN COCc1nnc(CNC(=O)N2CCN(c3nc(C)cs3)CC2)[nH]1 ZINC000666122674 493758501 /nfs/dbraw/zinc/75/85/01/493758501.db2.gz SHYHJOOZXABVPL-UHFFFAOYSA-N 0 1 351.436 0.748 10 0 FCAEMN C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCN(C3CC3)C2)C[C@]2(CCCOC2)O1 ZINC000410499234 534281320 /nfs/dbraw/zinc/28/13/20/534281320.db2.gz RLXCICKMJVUDSV-ALKREAHSSA-N 0 1 365.474 0.478 10 0 FCAEMN C[C@H](Oc1cccc(F)c1)C(=O)N1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000275623217 525950287 /nfs/dbraw/zinc/95/02/87/525950287.db2.gz JGJPQFUXQRIGFJ-SWLSCSKDSA-N 0 1 354.378 0.837 10 0 FCAEMN CC(=O)N1CCN(C(=O)C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)[C@H](C)C1 ZINC000410651499 526603463 /nfs/dbraw/zinc/60/34/63/526603463.db2.gz HLNRZKBNXGQYGS-GFCCVEGCSA-N 0 1 363.462 0.745 10 0 FCAEMN CCOC(=O)[C@@H]1CCCCN1C(=O)CN(C[C@H]1CCC(=O)N1)C(C)C ZINC000412066828 527818278 /nfs/dbraw/zinc/81/82/78/527818278.db2.gz FELVRURSLXTLEN-CABCVRRESA-N 0 1 353.463 0.920 10 0 FCAEMN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(C(=O)CN(C)C)CC1 ZINC000409724649 529302158 /nfs/dbraw/zinc/30/21/58/529302158.db2.gz DDFSMKAIFRFRDX-ZIAGYGMSSA-N 0 1 370.519 0.166 10 0 FCAEMN CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)CCN1CC(F)F ZINC000410827532 529354776 /nfs/dbraw/zinc/35/47/76/529354776.db2.gz UMJJNANAURKQPM-HUUCEWRRSA-N 0 1 370.444 0.647 10 0 FCAEMN CCC(CC)[C@H](CNC(=O)NC[C@H](C)S(N)(=O)=O)N1CCOCC1 ZINC000443496968 535142914 /nfs/dbraw/zinc/14/29/14/535142914.db2.gz FJGAXZRLWMBTOS-JSGCOSHPSA-N 0 1 364.512 0.100 10 0 FCAEMN CC(C)C[C@H](CNC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C(=O)[O-] ZINC000424428087 535308999 /nfs/dbraw/zinc/30/89/99/535308999.db2.gz WQDVDJPZXNPFFN-CQSZACIVSA-N 0 1 356.467 0.539 10 0 FCAEMN CC(C)C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(=O)[O-] ZINC000424426420 535309708 /nfs/dbraw/zinc/30/97/08/535309708.db2.gz STCSLVWBEOEOSO-CABCVRRESA-N 0 1 368.478 0.681 10 0 FCAEMN CC[C@@H](NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1nnc2n1CCCCC2 ZINC000419355207 535779751 /nfs/dbraw/zinc/77/97/51/535779751.db2.gz FXQHYJJVUXVDNK-QLFBSQMISA-N 0 1 374.489 0.925 10 0 FCAEMN CC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)[C@H](O)C(F)F ZINC000452483165 535867153 /nfs/dbraw/zinc/86/71/53/535867153.db2.gz QYCWQZWFGXLBCM-JQWIXIFHSA-N 0 1 366.386 0.777 10 0 FCAEMN CN(C(=O)C(=O)Nc1ccccc1OCCC(N)=O)[C@@H]1CCN(C2CC2)C1 ZINC000439584741 535948637 /nfs/dbraw/zinc/94/86/37/535948637.db2.gz DPUUELPEMXKETA-CQSZACIVSA-N 0 1 374.441 0.574 10 0 FCAEMN COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCCN2CCO)cc1 ZINC000453820796 536739709 /nfs/dbraw/zinc/73/97/09/536739709.db2.gz OPTNTUMEUHQFBL-HNNXBMFYSA-N 0 1 363.414 0.375 10 0 FCAEMN COCCOc1ncccc1NC(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000442323682 536746595 /nfs/dbraw/zinc/74/65/95/536746595.db2.gz LXCJXCDBNPOXAL-STQMWFEESA-N 0 1 362.430 0.787 10 0 FCAEMN COc1cc([C@@H](C)N[C@H]2CCC(=O)N(C)C2=O)ccc1S(C)(=O)=O ZINC000424313542 536881296 /nfs/dbraw/zinc/88/12/96/536881296.db2.gz JGLGQWRCKVONRB-PWSUYJOCSA-N 0 1 354.428 0.897 10 0 FCAEMN COc1cccc(S([O-])=CC(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000424865940 536918717 /nfs/dbraw/zinc/91/87/17/536918717.db2.gz NCLDVJUROHSEMZ-BSEYFRJRSA-N 0 1 354.472 0.766 10 0 FCAEMN CN1CCN(S(=O)(=O)c2ccccc2CN[C@H]2CCCOC2)CC1 ZINC000127805993 546563986 /nfs/dbraw/zinc/56/39/86/546563986.db2.gz OZUPDSKRKWQESA-INIZCTEOSA-N 0 1 353.488 0.891 10 0 FCAEMN CCN1CCN(CC(=O)Nc2cnn(CC(=O)OC(C)(C)C)c2)CC1 ZINC000592812201 546666983 /nfs/dbraw/zinc/66/69/83/546666983.db2.gz QKXFTPRHPWGVHY-UHFFFAOYSA-N 0 1 351.451 0.801 10 0 FCAEMN COC(=O)[C@H]1CN(C)CCN(C(=O)N[C@@H](C2CC2)C2CCOCC2)C1 ZINC000593452179 546708881 /nfs/dbraw/zinc/70/88/81/546708881.db2.gz UFCAATSKLZZETF-HOTGVXAUSA-N 0 1 353.463 0.938 10 0 FCAEMN COC1(CS(=O)(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)CCOCC1 ZINC000593570771 546717854 /nfs/dbraw/zinc/71/78/54/546717854.db2.gz KMGZLDDACPOUEA-QWHCGFSZSA-N 0 1 352.522 0.489 10 0 FCAEMN 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/nfs/dbraw/zinc/96/10/49/490961049.db2.gz ICRWWTLJRUWBEW-WDEREUQCSA-N 0 1 373.413 0.922 10 0 FCAEMN C[C@@H]1C[C@H](CCNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CCO1 ZINC000544193305 490961071 /nfs/dbraw/zinc/96/10/71/490961071.db2.gz ICRWWTLJRUWBEW-GHMZBOCLSA-N 0 1 373.413 0.922 10 0 FCAEMN C[C@@H]1C[C@@H](CCNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CCO1 ZINC000544193306 490961128 /nfs/dbraw/zinc/96/11/28/490961128.db2.gz ICRWWTLJRUWBEW-MNOVXSKESA-N 0 1 373.413 0.922 10 0 FCAEMN CN1CCN(C(=O)CCNCCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000519387477 490970446 /nfs/dbraw/zinc/97/04/46/490970446.db2.gz HZRAFRDBCWTWOW-UHFFFAOYSA-N 0 1 364.471 0.086 10 0 FCAEMN Cc1cc(C[C@H](C)NC(=O)C(=O)NCCc2cn3c(n2)CCCC3)n[nH]1 ZINC000519435841 490972222 /nfs/dbraw/zinc/97/22/22/490972222.db2.gz ZFIOQHSZUJMSRT-LBPRGKRZSA-N 0 1 358.446 0.657 10 0 FCAEMN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NCc2cccc(CO)n2)c1 ZINC000519654337 490982654 /nfs/dbraw/zinc/98/26/54/490982654.db2.gz SQXGRBTUPFXQSS-UHFFFAOYSA-N 0 1 365.411 0.460 10 0 FCAEMN CN(Cc1nnnn1C)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000532063611 490984920 /nfs/dbraw/zinc/98/49/20/490984920.db2.gz WZFCDDHKKSRRSE-MRXNPFEDSA-N 0 1 372.477 0.340 10 0 FCAEMN COC[C@]1(C(=O)[O-])CCC[N@@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000519714844 490986005 /nfs/dbraw/zinc/98/60/05/490986005.db2.gz YVHYWVUTHMPWLO-ACJLOTCBSA-N 0 1 367.398 0.968 10 0 FCAEMN O=S1(=O)NC(CN2CCN(c3cccnn3)CC2)=Nc2ccccc21 ZINC000532532990 490993695 /nfs/dbraw/zinc/99/36/95/490993695.db2.gz BJGZIHGTQLMMTC-UHFFFAOYSA-N 0 1 358.427 0.621 10 0 FCAEMN CCn1cc(CN(C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)cn1 ZINC000532579815 490994590 /nfs/dbraw/zinc/99/45/90/490994590.db2.gz MFQJLRDAHDQNGH-UHFFFAOYSA-N 0 1 359.434 0.172 10 0 FCAEMN COC(=O)CCN1CCC[C@H](N2CCN([C@H]3CCC[C@@H]3O)CC2)C1=O ZINC000595309274 491916689 /nfs/dbraw/zinc/91/66/89/491916689.db2.gz PSDDWRWIIKXMRM-JYJNAYRXSA-N 0 1 353.463 0.072 10 0 FCAEMN CCOC(=O)C[C@@H](NC(=O)NCc1n[nH]c(COC)n1)C(F)(F)F ZINC000597000454 492008374 /nfs/dbraw/zinc/00/83/74/492008374.db2.gz SWSKGABMLHIGNW-SSDOTTSWSA-N 0 1 353.301 0.634 10 0 FCAEMN CCOC(=O)C[C@@H](NC(=O)NCc1nnc(COC)[nH]1)C(F)(F)F ZINC000597000454 492008376 /nfs/dbraw/zinc/00/83/76/492008376.db2.gz SWSKGABMLHIGNW-SSDOTTSWSA-N 0 1 353.301 0.634 10 0 FCAEMN CN(C)[C@H](CNC(=O)C(=O)N1CCc2nccnc2C1)c1ccccc1 ZINC000668348573 493335612 /nfs/dbraw/zinc/33/56/12/493335612.db2.gz XEDHBHIKGGNXOM-QGZVFWFLSA-N 0 1 353.426 0.780 10 0 FCAEMN Cc1cc(C(=O)N2CCN(C(=O)Cn3nnnc3C(C)C)[C@H](C)C2)n[nH]1 ZINC000562641178 491178120 /nfs/dbraw/zinc/17/81/20/491178120.db2.gz ALMNNUGHEXYKTB-GFCCVEGCSA-N 0 1 360.422 0.201 10 0 FCAEMN O=C(N[C@@H]1CCN(C2CC2)C1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000554203038 491184396 /nfs/dbraw/zinc/18/43/96/491184396.db2.gz YTEWJAAPUUQIDL-CJNGLKHVSA-N 0 1 356.426 0.261 10 0 FCAEMN CN1CCN(c2cccc(C(=O)N[C@@H]3CCN(CC(F)F)C3)n2)CC1 ZINC000562780881 491188650 /nfs/dbraw/zinc/18/86/50/491188650.db2.gz JNNBYPYHJVULMV-CYBMUJFWSA-N 0 1 353.417 0.903 10 0 FCAEMN Cn1ccnc1-c1cc(NC(=O)c2ccc(CN3CCOCC3)cn2)[nH]n1 ZINC000572416702 491368637 /nfs/dbraw/zinc/36/86/37/491368637.db2.gz YWYJYQAHMACLID-UHFFFAOYSA-N 0 1 367.413 1.290 10 0 FCAEMN COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000557493211 491378061 /nfs/dbraw/zinc/37/80/61/491378061.db2.gz XLSYQDGNNHMYDK-BZUAXINKSA-N 0 1 353.463 0.287 10 0 FCAEMN COCCN1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]1c1cccn1C ZINC000557492322 491378077 /nfs/dbraw/zinc/37/80/77/491378077.db2.gz AZJLMYXVLNPENG-WBVHZDCISA-N 0 1 362.474 0.916 10 0 FCAEMN C[C@H]1OCC[C@@H]1S(=O)(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC000572564891 491379110 /nfs/dbraw/zinc/37/91/10/491379110.db2.gz GGQACTHJUSSKMM-OLZOCXBDSA-N 0 1 350.481 0.699 10 0 FCAEMN CCN1CCN(c2ccc(CNC(=O)N[C@@H]3COC[C@H]3OC)cn2)CC1 ZINC000572597165 491380555 /nfs/dbraw/zinc/38/05/55/491380555.db2.gz AOIWJURIGPMQDK-HZPDHXFCSA-N 0 1 363.462 0.437 10 0 FCAEMN C[C@H](CN1CCOCC1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000565502757 491380792 /nfs/dbraw/zinc/38/07/92/491380792.db2.gz IUVWJBZSMARUEG-CQSZACIVSA-N 0 1 366.462 0.326 10 0 FCAEMN COC(=O)c1cncnc1NCCCCN1CCN(c2ncccn2)CC1 ZINC000557549738 491381601 /nfs/dbraw/zinc/38/16/01/491381601.db2.gz HCWGBGMKBIFQMM-UHFFFAOYSA-N 0 1 371.445 1.068 10 0 FCAEMN COC(=O)c1cn([C@@H]2CCN(C(=O)N[C@@H]3CCc4nc[nH]c4C3)C2)nn1 ZINC000557557003 491382118 /nfs/dbraw/zinc/38/21/18/491382118.db2.gz NWQABTZIICHZRK-GHMZBOCLSA-N 0 1 359.390 0.302 10 0 FCAEMN Cc1nnc(SCC(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)[nH]1 ZINC000572708739 491388419 /nfs/dbraw/zinc/38/84/19/491388419.db2.gz BRSXGRUSBMHEEX-UHFFFAOYSA-N 0 1 360.443 0.687 10 0 FCAEMN Cc1n[nH]c(SCC(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)n1 ZINC000572708739 491388421 /nfs/dbraw/zinc/38/84/21/491388421.db2.gz BRSXGRUSBMHEEX-UHFFFAOYSA-N 0 1 360.443 0.687 10 0 FCAEMN Cc1nccc(NC(=O)NCC(=O)N2CCNCC2)c1Br ZINC000565645690 491391055 /nfs/dbraw/zinc/39/10/55/491391055.db2.gz BQGBHLSYTYRBME-UHFFFAOYSA-N 0 1 356.224 0.128 10 0 FCAEMN C[C@@H](CNC(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1)CN1CCN(C)CC1 ZINC000557876848 491403327 /nfs/dbraw/zinc/40/33/27/491403327.db2.gz DROXWSHZDUNYPJ-KBPBESRZSA-N 0 1 360.524 0.135 10 0 FCAEMN Cc1ccc([C@@H]2CCCN2C(=O)C(=O)NCC(=O)N2CCNCC2)cc1C ZINC000572978170 491405314 /nfs/dbraw/zinc/40/53/14/491405314.db2.gz PJEOSHAEVQEEPX-KRWDZBQOSA-N 0 1 372.469 0.515 10 0 FCAEMN CC(C)COC1CCN(C(=O)C(=O)NC[C@@H]2CN(C)CCN2C)CC1 ZINC000558206896 491419481 /nfs/dbraw/zinc/41/94/81/491419481.db2.gz ASACGORPUFSKIR-OAHLLOKOSA-N 0 1 354.495 0.012 10 0 FCAEMN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(Oc2cnccn2)CC1 ZINC000558340213 491426027 /nfs/dbraw/zinc/42/60/27/491426027.db2.gz JICZHYKZPXFBGE-CJNGLKHVSA-N 0 1 373.457 0.445 10 0 FCAEMN O=C(NCCO[C@H]1CC1(F)F)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000668372814 493342398 /nfs/dbraw/zinc/34/23/98/493342398.db2.gz RLWGDOQXFMEKBA-GJZGRUSLSA-N 0 1 367.396 0.918 10 0 FCAEMN COC(=O)c1ccc(N2CCN(C[C@](C)(O)C(=O)OC)[C@@H](C)C2)cc1 ZINC000566398201 491441414 /nfs/dbraw/zinc/44/14/14/491441414.db2.gz ORSHEXHNRXVESF-UGSOOPFHSA-N 0 1 350.415 0.908 10 0 FCAEMN COc1cc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)ccc1Cl ZINC000573579116 491442334 /nfs/dbraw/zinc/44/23/34/491442334.db2.gz OQHWQWWYBAROEP-UHFFFAOYSA-N 0 1 361.851 0.401 10 0 FCAEMN CCS(=O)(=O)NC1CCN(C(=O)c2cc(-c3ccn(C)c3)[nH]n2)CC1 ZINC000573623878 491444877 /nfs/dbraw/zinc/44/48/77/491444877.db2.gz QOULKFGZIQAEOO-UHFFFAOYSA-N 0 1 365.459 0.959 10 0 FCAEMN COc1nnc(NC(=O)NCc2n[nH]c(COc3ccccc3)n2)s1 ZINC000558811320 491446599 /nfs/dbraw/zinc/44/65/99/491446599.db2.gz KFGMNLJDSOMRCW-UHFFFAOYSA-N 0 1 361.387 1.566 10 0 FCAEMN COc1cccnc1NS(=O)(=O)CCCS(=O)(=O)N1CCCO1 ZINC000566488209 491447663 /nfs/dbraw/zinc/44/76/63/491447663.db2.gz SLJTWNAVLGOYKJ-UHFFFAOYSA-N 0 1 365.433 0.189 10 0 FCAEMN CC(C)(C)CCN1CCN(C(=O)C(=O)NCc2nnc3ccccn32)CC1 ZINC000559292025 491462064 /nfs/dbraw/zinc/46/20/64/491462064.db2.gz DMTBWXMDZAFUKJ-UHFFFAOYSA-N 0 1 372.473 0.926 10 0 FCAEMN CN(C)Cc1ccc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)cn1 ZINC000559296158 491462683 /nfs/dbraw/zinc/46/26/83/491462683.db2.gz HSXJOADXYABIOR-UHFFFAOYSA-N 0 1 354.476 0.545 10 0 FCAEMN C[C@@H]1CN(C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)[C@H](C)CN1CCO ZINC000566786186 491466576 /nfs/dbraw/zinc/46/65/76/491466576.db2.gz RCCWAINTYSPRQD-PBFPGSCMSA-N 0 1 362.430 0.830 10 0 FCAEMN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000566837830 491470530 /nfs/dbraw/zinc/47/05/30/491470530.db2.gz QSVYBAMZWDBUNU-LVGRIFPRSA-N 0 1 358.442 0.381 10 0 FCAEMN Cc1cc(NC(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)ccc1-n1cnnn1 ZINC000574179045 491479299 /nfs/dbraw/zinc/47/92/99/491479299.db2.gz KDTROGOFVLWGGT-KBPBESRZSA-N 0 1 359.434 0.890 10 0 FCAEMN Cc1cc(C[C@H](C)NC(=O)C(=O)N[C@@H]2CCc3nc(C)ncc3C2)n[nH]1 ZINC000559590307 491483501 /nfs/dbraw/zinc/48/35/01/491483501.db2.gz HVVIQGHAVYIKNA-IINYFYTJSA-N 0 1 356.430 0.537 10 0 FCAEMN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2CCO[C@](C)(C3CC3)C2)C1 ZINC000668388469 493346045 /nfs/dbraw/zinc/34/60/45/493346045.db2.gz FAZIBROHJSWDHO-LPHOPBHVSA-N 0 1 367.490 0.487 10 0 FCAEMN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NC3CCN(CC4CC4)CC3)C[C@H]21 ZINC000660362539 493346412 /nfs/dbraw/zinc/34/64/12/493346412.db2.gz JDJUQYUQXOXBBC-XHSDSOJGSA-N 0 1 371.503 0.314 10 0 FCAEMN CN(C)c1nc(N)nc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000567284465 491496935 /nfs/dbraw/zinc/49/69/35/491496935.db2.gz QXOJJNOCCXSMFO-AWEZNQCLSA-N 0 1 355.446 0.866 10 0 FCAEMN O=C(NCCCCN1CCOCC1)C(=O)N1CCC(n2ccnc2)CC1 ZINC000559838391 491503706 /nfs/dbraw/zinc/50/37/06/491503706.db2.gz UMALDKZOFDRHIJ-UHFFFAOYSA-N 0 1 363.462 0.275 10 0 FCAEMN CCn1cc(CN(C)C(=O)C(=O)NCCCCN2CCOCC2)cn1 ZINC000559834860 491503784 /nfs/dbraw/zinc/50/37/84/491503784.db2.gz LCOPGFBOTHGDBO-UHFFFAOYSA-N 0 1 351.451 0.090 10 0 FCAEMN COCCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc2c(c1)CCO2 ZINC000559867331 491506169 /nfs/dbraw/zinc/50/61/69/491506169.db2.gz QXGCUTBOXLMXBT-INIZCTEOSA-N 0 1 361.442 0.465 10 0 FCAEMN 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/nfs/dbraw/zinc/04/80/26/1270048026.db2.gz XLXDJCAREKBVNY-VLXJIEOASA-N 0 1 369.425 0.869 10 0 FCAEMN O=C(NC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccc2[nH]ccc2c1 ZINC001572350783 1270049332 /nfs/dbraw/zinc/04/93/32/1270049332.db2.gz PCIZUHXKLUVWTG-RBSFLKMASA-N 0 1 367.409 0.902 10 0 FCAEMN O=C(CCCCc1cn[nH]n1)N1C[C@H]2CCN(C(=O)Cn3ccnc3)C[C@H]21 ZINC001343925626 1270052795 /nfs/dbraw/zinc/05/27/95/1270052795.db2.gz IAFAOFVEHKZYAG-GDBMZVCRSA-N 0 1 371.445 0.474 10 0 FCAEMN CC(C)(C(=O)N[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccco1)c1cnc[nH]1 ZINC001572357914 1270053878 /nfs/dbraw/zinc/05/38/78/1270053878.db2.gz MPYPAXSTQZZMBY-YNEHKIRRSA-N 0 1 360.414 0.677 10 0 FCAEMN CN(C[C@@H](O)CNC(=O)c1ccc(F)nc1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001572482481 1270067379 /nfs/dbraw/zinc/06/73/79/1270067379.db2.gz BPHTXCIOQHTWHS-YNEHKIRRSA-N 0 1 361.377 0.297 10 0 FCAEMN CN(C[C@@H](O)CNC(=O)c1cnn[nH]1)C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001572485626 1270071589 /nfs/dbraw/zinc/07/15/89/1270071589.db2.gz QVXGERVCIIHQDI-PMPSAXMXSA-N 0 1 371.441 0.623 10 0 FCAEMN Cc1cc(C(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]2C[C@H]2c2ccncc2)n[nH]1 ZINC001572496272 1270078974 /nfs/dbraw/zinc/07/89/74/1270078974.db2.gz XGWPOYSJVLDFCV-OWCLPIDISA-N 0 1 371.441 0.808 10 0 FCAEMN Cc1cc(C(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CCO[C@H]2C2CC2)n[nH]1 ZINC001572495934 1270079490 /nfs/dbraw/zinc/07/94/90/1270079490.db2.gz RGSXJVHQIDOQOZ-LZWOXQAQSA-N 0 1 364.446 0.425 10 0 FCAEMN CCN1CCN(c2nnc([C@]3(C)CNC(=O)C3)n2C[C@H]2CCOC2)CC1 ZINC001344039697 1270082075 /nfs/dbraw/zinc/08/20/75/1270082075.db2.gz XWXPJYUOMWUNOF-KDOFPFPSSA-N 0 1 362.478 0.234 10 0 FCAEMN CC(C)N(CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O)C(=O)c1cccc2c[nH]nc21 ZINC001572511977 1270085933 /nfs/dbraw/zinc/08/59/33/1270085933.db2.gz IYLQAOMGJVEICN-CABCVRRESA-N 0 1 371.441 0.993 10 0 FCAEMN CN(C(=O)CCc1cnc[nH]1)C1CC(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001572560350 1270095881 /nfs/dbraw/zinc/09/58/81/1270095881.db2.gz OOSIBORXRFQTBO-RMNLLRHXSA-N 0 1 361.446 0.350 10 0 FCAEMN CC(C)(O)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCCO1 ZINC001572661985 1270102372 /nfs/dbraw/zinc/10/23/72/1270102372.db2.gz WEEVKPFUNFOHRK-BFHYXJOUSA-N 0 1 364.446 0.408 10 0 FCAEMN CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCN1C ZINC001344133279 1270102924 /nfs/dbraw/zinc/10/29/24/1270102924.db2.gz ZFCPFPNRMSSCKF-OAGGEKHMSA-N 0 1 366.506 0.929 10 0 FCAEMN CCN(C(=O)CN1CCCC1=O)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001572674727 1270105825 /nfs/dbraw/zinc/10/58/25/1270105825.db2.gz DYILAWPSZKNANO-MGPQQGTHSA-N 0 1 361.446 0.489 10 0 FCAEMN CCN(C(=O)Cc1c[nH]cn1)[C@H](C)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001572677997 1270106230 /nfs/dbraw/zinc/10/62/30/1270106230.db2.gz HCDBWDHQKWMWEM-RPCCPQHDSA-N 0 1 364.446 0.357 10 0 FCAEMN O=C(NCCC1=CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1)[C@@H]1CCNC1=O ZINC001572702791 1270109751 /nfs/dbraw/zinc/10/97/51/1270109751.db2.gz LRWSWFQHLAYPKO-RRFJBIMHSA-N 0 1 371.441 0.314 10 0 FCAEMN CC(=O)NCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001344241394 1270117897 /nfs/dbraw/zinc/11/78/97/1270117897.db2.gz NUEYLIOXKNHVAA-UONOGXRCSA-N 0 1 361.446 0.298 10 0 FCAEMN O=C(Cc1cc[nH]n1)NC[C@H]1CC[C@@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001344258612 1270120706 /nfs/dbraw/zinc/12/07/06/1270120706.db2.gz NMVVROOVAZGPRB-NWDGAFQWSA-N 0 1 356.430 0.879 10 0 FCAEMN Cc1nc(CC(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CCCOCC3)C2)n[nH]1 ZINC001344272278 1270124401 /nfs/dbraw/zinc/12/44/01/1270124401.db2.gz VMIOHSMZLFIRIG-RRFJBIMHSA-N 0 1 363.462 0.873 10 0 FCAEMN Cc1nnc(CC(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3CCCCN3C)C2)[nH]1 ZINC001344272061 1270124622 /nfs/dbraw/zinc/12/46/22/1270124622.db2.gz MBTAKCKRBGNICV-ZNMIVQPWSA-N 0 1 362.478 0.541 10 0 FCAEMN CN1C(=O)CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CN2CCCC2)C1 ZINC001344276434 1270128086 /nfs/dbraw/zinc/12/80/86/1270128086.db2.gz XJUZDVULKMQGSY-ARFHVFGLSA-N 0 1 364.490 0.494 10 0 FCAEMN CN(CC(=O)NC[C@H]1CC[C@@H](NC(=O)CN2CCCC2)C1)C(=O)C1CC1 ZINC001344283231 1270131429 /nfs/dbraw/zinc/13/14/29/1270131429.db2.gz NQVWVANDBKPQAL-GOEBONIOSA-N 0 1 364.490 0.352 10 0 FCAEMN O=C(Cc1c[nH]c2ncccc12)NC[C@H]1CC[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001344287568 1270132348 /nfs/dbraw/zinc/13/23/48/1270132348.db2.gz JQIYKELBIGPAAP-WCQYABFASA-N 0 1 367.413 0.938 10 0 FCAEMN O=C(Cc1c[nH]c2ncccc12)NC[C@H]1CC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001344287568 1270132355 /nfs/dbraw/zinc/13/23/55/1270132355.db2.gz JQIYKELBIGPAAP-WCQYABFASA-N 0 1 367.413 0.938 10 0 FCAEMN CN(CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2nccnc2N)C1)C1CCC1 ZINC001344287992 1270132624 /nfs/dbraw/zinc/13/26/24/1270132624.db2.gz ZWIFQMSRSDMYHU-QWHCGFSZSA-N 0 1 360.462 0.558 10 0 FCAEMN O=C(COc1cccnc1)NC[C@H]1CC[C@@H](NC(=O)CN2CCCC2)C1 ZINC001344295771 1270136933 /nfs/dbraw/zinc/13/69/33/1270136933.db2.gz TWYZWERAUMHCNG-JKSUJKDBSA-N 0 1 360.458 0.957 10 0 FCAEMN CCc1cc(C(=O)N2C[C@@H]3CCN(C(=O)COCC(F)F)[C@@H]3C2)n[nH]1 ZINC001572785793 1270141167 /nfs/dbraw/zinc/14/11/67/1270141167.db2.gz MBOXCFSGOSGQGR-GXFFZTMASA-N 0 1 356.373 0.927 10 0 FCAEMN C[C@H](Oc1ccccn1)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001344306839 1270141470 /nfs/dbraw/zinc/14/14/70/1270141470.db2.gz RPBKAZIFLXRIMG-RWMBFGLXSA-N 0 1 358.402 0.682 10 0 FCAEMN C[C@H](Oc1ccccn1)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001344306839 1270141477 /nfs/dbraw/zinc/14/14/77/1270141477.db2.gz RPBKAZIFLXRIMG-RWMBFGLXSA-N 0 1 358.402 0.682 10 0 FCAEMN O=C(CCCCc1cn[nH]n1)N1C[C@@H]2CCN(C(=O)c3ccncn3)[C@@H]2C1 ZINC001572789628 1270143295 /nfs/dbraw/zinc/14/32/95/1270143295.db2.gz LTLIRGOWCHISIB-XJKSGUPXSA-N 0 1 369.429 0.681 10 0 FCAEMN Cc1ncc(CC(=O)N[C@@H]2CC[C@H](CNC(=O)CCc3c[nH]nn3)C2)o1 ZINC001344324042 1270148730 /nfs/dbraw/zinc/14/87/30/1270148730.db2.gz PXFGXNVERMNIGD-QWHCGFSZSA-N 0 1 360.418 0.678 10 0 FCAEMN Cc1ncc(CC(=O)N[C@@H]2CC[C@H](CNC(=O)CCc3cnn[nH]3)C2)o1 ZINC001344324042 1270148734 /nfs/dbraw/zinc/14/87/34/1270148734.db2.gz PXFGXNVERMNIGD-QWHCGFSZSA-N 0 1 360.418 0.678 10 0 FCAEMN NC(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)Cc3cnc[nH]3)C2)cc1 ZINC001344326845 1270151285 /nfs/dbraw/zinc/15/12/85/1270151285.db2.gz XCNKFQVLNBXYGG-SWLSCSKDSA-N 0 1 369.425 0.766 10 0 FCAEMN Cn1cc(CCC(=O)N[C@@H]2CC[C@H](CNC(=O)Cc3cnc[nH]3)C2)nn1 ZINC001344326629 1270151386 /nfs/dbraw/zinc/15/13/86/1270151386.db2.gz RPGBIGYSWCOAOU-QWHCGFSZSA-N 0 1 359.434 0.115 10 0 FCAEMN CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)CCCCc2cn[nH]n2)C1 ZINC001344327346 1270151612 /nfs/dbraw/zinc/15/16/12/1270151612.db2.gz PEQRNPKLHOOQIQ-JKSUJKDBSA-N 0 1 359.434 0.382 10 0 FCAEMN CCO[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1CNC(=O)Cc1cc(C)n[nH]1 ZINC001344371810 1270161147 /nfs/dbraw/zinc/16/11/47/1270161147.db2.gz PCESQGGLSOCBGF-SQWLQELKSA-N 0 1 364.446 0.277 10 0 FCAEMN CCO[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1CNC(=O)Cc1cnoc1 ZINC001344380563 1270164133 /nfs/dbraw/zinc/16/41/33/1270164133.db2.gz QMMHNVHRHCTKOL-UKRRQHHQSA-N 0 1 361.402 0.542 10 0 FCAEMN CCO[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1CNC(=O)CC1(O)CCC1 ZINC001344400127 1270170329 /nfs/dbraw/zinc/17/03/29/1270170329.db2.gz WSDSQGHFTPZJEU-HZPDHXFCSA-N 0 1 367.490 0.367 10 0 FCAEMN CCO[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1CNC(=O)Cc1cnc[nH]1 ZINC001344428812 1270178118 /nfs/dbraw/zinc/17/81/18/1270178118.db2.gz ZGDQSYTZGRIONT-RUCLQGLUSA-N 0 1 360.458 0.978 10 0 FCAEMN CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)[C@]1(C)CCOC1 ZINC001344435948 1270180123 /nfs/dbraw/zinc/18/01/23/1270180123.db2.gz KTPWLIFIUIHXSV-DDUZABMNSA-N 0 1 364.446 0.359 10 0 FCAEMN C[C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H](CNC(=O)C(C)(C)C(N)=O)C1 ZINC001344521820 1270195391 /nfs/dbraw/zinc/19/53/91/1270195391.db2.gz GQWSMDUENSSVLV-OCCSQVGLSA-N 0 1 363.462 0.597 10 0 FCAEMN CCN(CC)C[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2ccncc2C)C[C@H]1O ZINC001572824871 1270198359 /nfs/dbraw/zinc/19/83/59/1270198359.db2.gz WRXMJAWDYOVGGT-ARFHVFGLSA-N 0 1 366.437 0.371 10 0 FCAEMN CC(C)(CC(F)F)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001572827883 1270206414 /nfs/dbraw/zinc/20/64/14/1270206414.db2.gz IILMDHXLOJBTGR-VXGBXAGGSA-N 0 1 358.389 0.712 10 0 FCAEMN CC(C)OCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3c2CCC3)C1 ZINC001572833739 1270218988 /nfs/dbraw/zinc/21/89/88/1270218988.db2.gz UUXPNQULFZFOJH-HUUCEWRRSA-N 0 1 364.446 0.405 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)CCCC(=O)NC)CCN1C(=O)C1=NC(=O)N(C)C1 ZINC001344786349 1270241627 /nfs/dbraw/zinc/24/16/27/1270241627.db2.gz MCTKLMZZVIMFGR-WCQYABFASA-N 0 1 365.434 0.151 10 0 FCAEMN CC(C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001572848376 1270254885 /nfs/dbraw/zinc/25/48/85/1270254885.db2.gz JQXNNRMCDPMOSI-NWANDNLSSA-N 0 1 363.462 0.739 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)COc2cc(C)on2)CCN1C(=O)Cc1c[nH]cn1 ZINC001344843940 1270255910 /nfs/dbraw/zinc/25/59/10/1270255910.db2.gz HPBWJVODBAUAJR-UONOGXRCSA-N 0 1 361.402 0.823 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)[C@@H](CC(C)C)C(N)=O)CCN1C(=O)Cc1ccn[nH]1 ZINC001344864266 1270262936 /nfs/dbraw/zinc/26/29/36/1270262936.db2.gz JSBZABBHYDNCAO-SOUVJXGZSA-N 0 1 363.462 0.596 10 0 FCAEMN 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ZINC001682532606 1283651522 /nfs/dbraw/zinc/65/15/22/1283651522.db2.gz QVXZJJNRSAYUSW-UHFFFAOYSA-N 0 1 350.423 1.000 10 0 FCAEMN CC[C@@H](CC(F)(F)F)C(=O)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1O ZINC001682561745 1283677566 /nfs/dbraw/zinc/67/75/66/1283677566.db2.gz JDVADEDEGOZKJT-YNEHKIRRSA-N 0 1 365.396 0.749 10 0 FCAEMN C[C@@H](CC(=O)N[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1O)n1cccc1 ZINC001682574259 1283689522 /nfs/dbraw/zinc/68/95/22/1283689522.db2.gz OUVNEQCKZGSZSA-NUEKZKHPSA-N 0 1 359.430 0.483 10 0 FCAEMN CCC[C@H](C(=O)N[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1O)c1ccccn1 ZINC001682618382 1283723041 /nfs/dbraw/zinc/72/30/41/1283723041.db2.gz SLAVKEQNISMFIU-IAOVAPTHSA-N 0 1 371.441 0.999 10 0 FCAEMN CC1(CCC(=O)N[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2O)CC1 ZINC001682635087 1283731050 /nfs/dbraw/zinc/73/10/50/1283731050.db2.gz JTZXVRWGGOSZNY-HUUCEWRRSA-N 0 1 351.491 0.987 10 0 FCAEMN C[C@H](CC(=O)N[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1O)CC(C)(C)C ZINC001682681547 1283755862 /nfs/dbraw/zinc/75/58/62/1283755862.db2.gz OBIZNLYUYXOIBZ-JHJVBQTASA-N 0 1 351.451 0.498 10 0 FCAEMN CCNC(=O)CC(=O)N[C@@H]1CN(C(=O)c2cccc3c[nH]nc32)C[C@H]1C ZINC001682826108 1283784712 /nfs/dbraw/zinc/78/47/12/1283784712.db2.gz UDQQCUJLNAXWQO-BXUZGUMPSA-N 0 1 357.414 0.666 10 0 FCAEMN CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1O ZINC001719077812 1287666378 /nfs/dbraw/zinc/66/63/78/1287666378.db2.gz NTBLOOKBQAPHMU-GDBMZVCRSA-N 0 1 362.430 0.208 10 0 FCAEMN C[C@@H]1CN(C(=O)CCNC(=O)C2CCC2)C[C@H]1NC(=O)CN1CCCC1 ZINC001682875545 1283796494 /nfs/dbraw/zinc/79/64/94/1283796494.db2.gz XJFOLDZPMDORKK-GDBMZVCRSA-N 0 1 364.490 0.352 10 0 FCAEMN COCC1(CNC(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)CCCCC1 ZINC001682991165 1283824947 /nfs/dbraw/zinc/82/49/47/1283824947.db2.gz RLLUOGUBLHGKAI-UHFFFAOYSA-N 0 1 373.479 0.745 10 0 FCAEMN CC(C)(C)OC(=O)N1CC(O)(CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC001683068961 1283856160 /nfs/dbraw/zinc/85/61/60/1283856160.db2.gz OQXPZSXYXKYCIV-LLVKDONJSA-N 0 1 365.434 0.548 10 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ZINC001683351016 1283950664 /nfs/dbraw/zinc/95/06/64/1283950664.db2.gz GEDUIKWTTPMPFI-KFWWJZLASA-N 0 1 362.430 0.277 10 0 FCAEMN O=C(CCCCc1cn[nH]n1)N1C[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)[C@@H](O)C1 ZINC001683420221 1283975897 /nfs/dbraw/zinc/97/58/97/1283975897.db2.gz MNDMXTPCNLGQPN-NMNMXBMNSA-N 0 1 361.446 0.252 10 0 FCAEMN COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001683481339 1283998913 /nfs/dbraw/zinc/99/89/13/1283998913.db2.gz WQCFFAHSJYVTRA-MGPQQGTHSA-N 0 1 359.386 0.771 10 0 FCAEMN CCc1nc(C(=O)N2C[C@@H](NC(=O)CN(C)C3CCC3)[C@@H](O)C2)c(C)o1 ZINC001683529228 1284019674 /nfs/dbraw/zinc/01/96/74/1284019674.db2.gz AGPPZZICJCPCDG-KGLIPLIRSA-N 0 1 364.446 0.331 10 0 FCAEMN CN(CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C[C@@H]1O)C1CCC1 ZINC001683530155 1284022116 /nfs/dbraw/zinc/02/21/16/1284022116.db2.gz TVAMZTFWSBUBIK-FPCVCCKLSA-N 0 1 351.491 0.841 10 0 FCAEMN CN(CC(=O)N[C@@H]1CN(C(=O)c2ccnc(F)c2)C[C@@H]1O)C1CCC1 ZINC001683530284 1284022625 /nfs/dbraw/zinc/02/26/25/1284022625.db2.gz YVYZYFVOLGAMSQ-KGLIPLIRSA-N 0 1 350.394 0.007 10 0 FCAEMN CCC(CC)[C@H](C)C(=O)N[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1O ZINC001683555199 1284029923 /nfs/dbraw/zinc/02/99/23/1284029923.db2.gz UCBDWCOQGIRCHS-YUTCNCBUSA-N 0 1 351.451 0.498 10 0 FCAEMN CCC[C@@](C)(CC)C(=O)N[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@@H]1O ZINC001683638207 1284071428 /nfs/dbraw/zinc/07/14/28/1284071428.db2.gz WUGAGFWCSJWLQJ-BTJLNZGRSA-N 0 1 352.435 0.644 10 0 FCAEMN CO[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2ccc3cncn3c2C)C[C@H]1O ZINC001719084636 1287686350 /nfs/dbraw/zinc/68/63/50/1287686350.db2.gz GDGOOWZQGZRKHX-IUIKQTSFSA-N 0 1 360.414 0.369 10 0 FCAEMN CC1(CCC(=O)N[C@@H]2CN(C(=O)c3c[nH]cc4ncnc3-4)C[C@@H]2O)CC1 ZINC001683658279 1284076279 /nfs/dbraw/zinc/07/62/79/1284076279.db2.gz NBADTUMQQYQWNU-KGLIPLIRSA-N 0 1 357.414 0.840 10 0 FCAEMN CCO[C@@H](CC(=O)N1C[C@@H](NC(=O)c2[nH]ncc2F)[C@@H](O)C1)C(C)C ZINC001683664412 1284077392 /nfs/dbraw/zinc/07/73/92/1284077392.db2.gz 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358.416 0.598 10 0 FCAEMN C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CC[N@H+]2C2CCOCC2)co1 ZINC001123345820 848586839 /nfs/dbraw/zinc/58/68/39/848586839.db2.gz JHGROIFAYQSBJS-ZDUSSCGKSA-N 0 1 358.416 0.598 10 0 FCAEMN C[C@@H](COCC(F)(F)F)NC(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 ZINC001123493042 848596995 /nfs/dbraw/zinc/59/69/95/848596995.db2.gz XVPYFDUZXBTKOR-SGMGOOAPSA-N 0 1 369.384 0.479 10 0 FCAEMN O=C(NCCN1CCC2(C1)OCCO2)N[C@H]1CCCN2CCSC[C@H]12 ZINC001123615021 848613968 /nfs/dbraw/zinc/61/39/68/848613968.db2.gz SGHLHGGFCHZHBU-LSDHHAIUSA-N 0 1 370.519 0.314 10 0 FCAEMN CC(C)[C@@H]1C[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CCO1 ZINC001123637265 848617000 /nfs/dbraw/zinc/61/70/00/848617000.db2.gz SXEUTELMUJUREA-MUQADHOPSA-N 0 1 355.479 0.715 10 0 FCAEMN CC(C)[C@@H]1C[C@H](NC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)CCO1 ZINC001123637265 848617006 /nfs/dbraw/zinc/61/70/06/848617006.db2.gz SXEUTELMUJUREA-MUQADHOPSA-N 0 1 355.479 0.715 10 0 FCAEMN COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)NC[C@@H](C)N3CCN(C)CC3)[C@@H]2C1 ZINC001123727545 848629599 /nfs/dbraw/zinc/62/95/99/848629599.db2.gz CFELPOYZSFXVJY-LJIZCISZSA-N 0 1 352.479 0.509 10 0 FCAEMN C[C@@H](CNC(=O)N1CCC2(CCNC(=O)O2)CC1)N1CCN(C)CC1 ZINC001123790177 848637789 /nfs/dbraw/zinc/63/77/89/848637789.db2.gz XPIWKEBHMVEUIO-AWEZNQCLSA-N 0 1 353.467 0.296 10 0 FCAEMN COCCCN(C(=O)N[C@@H]1CC[C@@H]2CN(C)C[C@H]12)[C@H]1CCS(=O)(=O)C1 ZINC001123805353 848640319 /nfs/dbraw/zinc/64/03/19/848640319.db2.gz ZZKLEXGIVGZHDY-FXUDXRNXSA-N 0 1 373.519 0.562 10 0 FCAEMN COc1ccc(C(=O)N2CC[C@](O)(CN(C)C)C2)cc1S(C)(=O)=O ZINC001123859729 848645711 /nfs/dbraw/zinc/64/57/11/848645711.db2.gz ICOXRRHOOKQOLC-INIZCTEOSA-N 0 1 356.444 0.237 10 0 FCAEMN CCC[C@H](C)N1C[C@H](C(=O)N2CC(N3CCN(CC)CC3)C2)CC1=O ZINC001123965162 848660435 /nfs/dbraw/zinc/66/04/35/848660435.db2.gz TYNHUTAULHYRTI-JKSUJKDBSA-N 0 1 350.507 0.872 10 0 FCAEMN CN(C/C=C\C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21)CC(F)(F)F ZINC001124023181 848669044 /nfs/dbraw/zinc/66/90/44/848669044.db2.gz JIBSMXMFJGSOHW-HFBOFBSRSA-N 0 1 365.396 0.379 10 0 FCAEMN COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)C1 ZINC001124106797 848677630 /nfs/dbraw/zinc/67/76/30/848677630.db2.gz KDOAOMHZYBRSIT-ZXFNITATSA-N 0 1 354.447 0.308 10 0 FCAEMN COC(=O)c1cccc2nc(NC(=O)[C@@]3(F)CCS(=O)(=O)C3)[nH]c21 ZINC001127417044 848720274 /nfs/dbraw/zinc/72/02/74/848720274.db2.gz PFXRPMDYHVFZIH-CQSZACIVSA-N 0 1 355.347 0.815 10 0 FCAEMN COCCNC(=O)CSc1ccccc1C(=O)N(C)c1nn[nH]n1 ZINC001130969837 849065560 /nfs/dbraw/zinc/06/55/60/849065560.db2.gz WSSPWXAXDLXVKJ-UHFFFAOYSA-N 0 1 350.404 0.331 10 0 FCAEMN CC(C)O[C@]1(CNC(=O)c2ccc(NS(C)(=O)=O)nc2)CCOC1 ZINC001133949637 849168200 /nfs/dbraw/zinc/16/82/00/849168200.db2.gz NSWPJOMYVPRLEQ-HNNXBMFYSA-N 0 1 357.432 0.767 10 0 FCAEMN Cc1[nH]ncc1CNC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 ZINC001136187594 849210230 /nfs/dbraw/zinc/21/02/30/849210230.db2.gz GLTYDMLWFUHCIS-SNVBAGLBSA-N 0 1 354.457 0.936 10 0 FCAEMN 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ZINC001146388404 849558355 /nfs/dbraw/zinc/55/83/55/849558355.db2.gz FEKLUXMDYSKHLU-AWEZNQCLSA-N 0 1 368.503 0.221 10 0 FCAEMN CSCC[C@H](NC(=O)[C@]1(C2CCCC2)CCNC1=O)c1nn[nH]n1 ZINC001148261121 849605809 /nfs/dbraw/zinc/60/58/09/849605809.db2.gz QWAXAEHRUNAWMN-NHYWBVRUSA-N 0 1 352.464 0.807 10 0 FCAEMN COC[C@@](C)(CC(=O)OC)NC(=O)Cc1n[nH]c(C2CCOCC2)n1 ZINC001148269831 849606654 /nfs/dbraw/zinc/60/66/54/849606654.db2.gz XMTHXXTWPWXALJ-MRXNPFEDSA-N 0 1 354.407 0.326 10 0 FCAEMN CN(C)CCCN(C(=O)/C=C/[C@H]1COC(C)(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC001149108206 849629272 /nfs/dbraw/zinc/62/92/72/849629272.db2.gz HNSAELTVLBJNNC-KXLSMFKISA-N 0 1 374.503 0.662 10 0 FCAEMN CN(C)CCCN(C(=O)/C=C\[C@H]1COC(C)(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC001149108204 849629361 /nfs/dbraw/zinc/62/93/61/849629361.db2.gz HNSAELTVLBJNNC-BEWKBBBFSA-N 0 1 374.503 0.662 10 0 FCAEMN C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@H](N2CCC2)C1 ZINC001167474366 850545204 /nfs/dbraw/zinc/54/52/04/850545204.db2.gz 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Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001180054642 851011718 /nfs/dbraw/zinc/01/17/18/851011718.db2.gz QGXDVTPFROMOCO-QWHCGFSZSA-N 0 1 371.459 0.215 10 0 FCAEMN CSc1nc(=O)n(C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)[nH]1 ZINC001189138601 851757445 /nfs/dbraw/zinc/75/74/45/851757445.db2.gz PFDMNRWWAVGPNO-SECBINFHSA-N 0 1 370.431 0.846 10 0 FCAEMN CN(CCOc1ccccc1F)C(=O)CN1C[C@@H](CO)[C@H](CCO)C1 ZINC001198751334 853312245 /nfs/dbraw/zinc/31/22/45/853312245.db2.gz CXGCTOIPDXKEKJ-CABCVRRESA-N 0 1 354.422 0.586 10 0 FCAEMN CC(C)[C@H]1C(=O)NCCN1C(=O)NCc1n[nH]c(C2CCOCC2)n1 ZINC001234275152 857400448 /nfs/dbraw/zinc/40/04/48/857400448.db2.gz WXGNBVJQMDJBGH-ZDUSSCGKSA-N 0 1 350.423 0.365 10 0 FCAEMN C[C@@H]1CCN(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)C[C@@H]1O ZINC001245968943 857561689 /nfs/dbraw/zinc/56/16/89/857561689.db2.gz AOZMYKOLMDNXKM-IKGGRYGDSA-N 0 1 354.495 0.195 10 0 FCAEMN CC[C@H](C)N[C@@H](CNC(=O)NC[C@H](O)CS(C)(=O)=O)c1ccco1 ZINC001248638487 857634430 /nfs/dbraw/zinc/63/44/30/857634430.db2.gz KWIANZVWZMSWNC-AVGNSLFASA-N 0 1 361.464 0.414 10 0 FCAEMN CC(C)[C@@H](O)C(C)(C)CNC(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001251263335 857712440 /nfs/dbraw/zinc/71/24/40/857712440.db2.gz UGJZPKBTAFLWBA-GFCCVEGCSA-N 0 1 361.468 0.192 10 0 FCAEMN CC1(C)CCN(C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)CCS1 ZINC001251263403 857713075 /nfs/dbraw/zinc/71/30/75/857713075.db2.gz WXCYHBDJCWXVGU-UHFFFAOYSA-N 0 1 361.493 0.776 10 0 FCAEMN COCc1nc(CNC(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC001252736015 857837196 /nfs/dbraw/zinc/83/71/96/857837196.db2.gz GSBLVRHPCYJLBE-SECBINFHSA-N 0 1 356.383 0.301 10 0 FCAEMN COCc1nnc(CNC(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)[nH]1 ZINC001252736015 857837198 /nfs/dbraw/zinc/83/71/98/857837198.db2.gz GSBLVRHPCYJLBE-SECBINFHSA-N 0 1 356.383 0.301 10 0 FCAEMN O=C(NCc1cnc[nH]1)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001252755737 857839382 /nfs/dbraw/zinc/83/93/82/857839382.db2.gz VNUZPLJBGNUKRX-BNOWGMLFSA-N 0 1 368.459 0.136 10 0 FCAEMN 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ZINC001261661267 858623662 /nfs/dbraw/zinc/62/36/62/858623662.db2.gz KYDQNBWEIVXNLO-VPCRFOHKSA-N 0 1 369.369 0.766 10 0 FCAEMN COCc1nc(CNC(=O)N2CCCN(c3nc(C)ns3)CC2)n[nH]1 ZINC001261665806 858624483 /nfs/dbraw/zinc/62/44/83/858624483.db2.gz VUCKPWDEQPGNSY-UHFFFAOYSA-N 0 1 366.451 0.533 10 0 FCAEMN COCc1nnc(CNC(=O)N2CCCN(c3nc(C)ns3)CC2)[nH]1 ZINC001261665806 858624484 /nfs/dbraw/zinc/62/44/84/858624484.db2.gz VUCKPWDEQPGNSY-UHFFFAOYSA-N 0 1 366.451 0.533 10 0 FCAEMN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCc1n[nH]c(COC)n1)CC2 ZINC001261665053 858624628 /nfs/dbraw/zinc/62/46/28/858624628.db2.gz ACAJMPZYAIPKHY-NWDGAFQWSA-N 0 1 353.423 0.413 10 0 FCAEMN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCc1nnc(COC)[nH]1)CC2 ZINC001261665053 858624631 /nfs/dbraw/zinc/62/46/31/858624631.db2.gz ACAJMPZYAIPKHY-NWDGAFQWSA-N 0 1 353.423 0.413 10 0 FCAEMN C[C@H]1C[C@H](NC(=O)C(=O)NC[C@]23OCCC[C@H]2C3(F)F)CN1C1CC1 ZINC001261711219 858641189 /nfs/dbraw/zinc/64/11/89/858641189.db2.gz RONNCEAFFIVCAM-NLZNIHBBSA-N 0 1 357.401 0.658 10 0 FCAEMN Cc1nc(CNCCN(CCO)C(=O)[C@@H]2C[C@H]2C2CCOCC2)n[nH]1 ZINC001279763386 863047752 /nfs/dbraw/zinc/04/77/52/863047752.db2.gz DXDCULZBUHRENS-LSDHHAIUSA-N 0 1 351.451 0.086 10 0 FCAEMN O=C(NCc1ccc(S(=O)(=O)CCO)cc1)[C@@H]1CCc2[nH]cnc2C1 ZINC001261738429 858653911 /nfs/dbraw/zinc/65/39/11/858653911.db2.gz QNGVKZYBBWJIEH-CYBMUJFWSA-N 0 1 363.439 0.597 10 0 FCAEMN COC(=O)[C@@]1(N2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)CC2)CCOC1 ZINC001261842058 858683737 /nfs/dbraw/zinc/68/37/37/858683737.db2.gz LISDKKBEPHKQNA-SUMWQHHRSA-N 0 1 350.419 0.065 10 0 FCAEMN O=S(=O)(C1CC1)N1CCC(NCc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC001261850635 858685332 /nfs/dbraw/zinc/68/53/32/858685332.db2.gz SPDGDIRFVXFEJL-CYBMUJFWSA-N 0 1 369.491 0.361 10 0 FCAEMN CN(C)C(=O)CCN1CCC(NC(=O)[C@@]2(C)CCCS2(=O)=O)CC1 ZINC001262170499 858805086 /nfs/dbraw/zinc/80/50/86/858805086.db2.gz PDTIRZYMMIJLBZ-MRXNPFEDSA-N 0 1 359.492 0.013 10 0 FCAEMN CCN1CC[C@H](N(C)C(=O)c2c3c(nn2C)CCS(=O)(=O)C3)C[C@@H]1C ZINC001262170135 858805377 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ZINC000519019653 490959293 /nfs/dbraw/zinc/95/92/93/490959293.db2.gz QSMXXUVBMXXPBD-OAHLLOKOSA-N 0 1 358.508 0.538 10 0 FCAEMN COc1ccc([C@H](CNC(=O)CS(=O)(=O)N(C)C)N2CCCC2)cc1 ZINC000544331958 490965694 /nfs/dbraw/zinc/96/56/94/490965694.db2.gz HTCQNJSEXJRTHB-INIZCTEOSA-N 0 1 369.487 0.840 10 0 FCAEMN COCCN1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)ncn2C ZINC000531627685 490967945 /nfs/dbraw/zinc/96/79/45/490967945.db2.gz NBJBJFUVTJNZJQ-CYBMUJFWSA-N 0 1 352.460 0.962 10 0 FCAEMN C[C@H]1C[N@H+](CCO)CCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000519525356 490973903 /nfs/dbraw/zinc/97/39/03/490973903.db2.gz PYXPVUOQPHLSQO-INIZCTEOSA-N 0 1 361.490 0.754 10 0 FCAEMN NC(=O)C[C@H]1CCCCN1CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000531900324 490980440 /nfs/dbraw/zinc/98/04/40/490980440.db2.gz PNXWJCIZRLGJNV-CYBMUJFWSA-N 0 1 363.414 0.640 10 0 FCAEMN Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2C)n[nH]1 ZINC000532274435 490990144 /nfs/dbraw/zinc/99/01/44/490990144.db2.gz IGPVSRCEJHZHJL-SNVBAGLBSA-N 0 1 368.401 0.688 10 0 FCAEMN CC(C)(C)OC(=O)CN1CC[C@@H](N2CCC(Cn3cnnc3)CC2)C1=O ZINC000595556672 491942055 /nfs/dbraw/zinc/94/20/55/491942055.db2.gz ANJIMAJPSIYAIH-OAHLLOKOSA-N 0 1 363.462 0.933 10 0 FCAEMN CN(C)C[C@@]1(O)CCCN(C(=O)C2(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000614069581 492013197 /nfs/dbraw/zinc/01/31/97/492013197.db2.gz ZRKAEHARGHXZHL-KRWDZBQOSA-N 0 1 366.483 0.908 10 0 FCAEMN CCN1CCN(CC(=O)N2CC[C@@](COC)(C(=O)OC(C)(C)C)C2)CC1 ZINC000601766645 491947409 /nfs/dbraw/zinc/94/74/09/491947409.db2.gz PERBESLXPWFRTM-LJQANCHMSA-N 0 1 369.506 0.831 10 0 FCAEMN COC(=O)CCN1CCC[C@@H](N2C[C@@H](CO)[C@H](C(F)(F)F)C2)C1=O ZINC000602988263 492010039 /nfs/dbraw/zinc/01/00/39/492010039.db2.gz FDPMYQQDFWQDGC-QJPTWQEYSA-N 0 1 352.353 0.643 10 0 FCAEMN C[C@@H](NC(=O)NCC1(N2CCCC2)CCOCC1)C1(S(C)(=O)=O)CC1 ZINC000553926379 491164705 /nfs/dbraw/zinc/16/47/05/491164705.db2.gz ORNIGXLAMCTCGP-CQSZACIVSA-N 0 1 373.519 0.896 10 0 FCAEMN CN1CCN(c2cccc(C(=O)NCCc3nnc4n3CCCC4)n2)CC1 ZINC000562452461 491166707 /nfs/dbraw/zinc/16/67/07/491166707.db2.gz PFAPOTVZMTXSFP-UHFFFAOYSA-N 0 1 369.473 0.734 10 0 FCAEMN CO[C@H](CNC(=O)C(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CCOC1 ZINC000668348060 493335353 /nfs/dbraw/zinc/33/53/53/493335353.db2.gz LJOIPXXVGIXNRC-GVDBMIGSSA-N 0 1 363.458 0.573 10 0 FCAEMN COC(=O)c1cn(C2CN(C(=O)c3cc(-c4ccn(C)c4)[nH]n3)C2)nn1 ZINC000569740568 491187955 /nfs/dbraw/zinc/18/79/55/491187955.db2.gz SOSZGOIJDSCCTI-UHFFFAOYSA-N 0 1 355.358 0.490 10 0 FCAEMN Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)[C@H](C)C2)n[nH]1 ZINC000565351901 491371293 /nfs/dbraw/zinc/37/12/93/491371293.db2.gz CABQGVIPGOHYAI-CQSZACIVSA-N 0 1 369.491 0.985 10 0 FCAEMN Cn1ncc2c1ncn(CC(=O)NCCN1CC=C(C(C)(C)C)CC1)c2=O ZINC000557401834 491372669 /nfs/dbraw/zinc/37/26/69/491372669.db2.gz WVDSBRRBQSSYJY-UHFFFAOYSA-N 0 1 372.473 0.924 10 0 FCAEMN O=C(C(=O)N1CCO[C@]2(CCSC2)C1)N1CCN(C2CCCC2)CC1 ZINC000565421896 491375342 /nfs/dbraw/zinc/37/53/42/491375342.db2.gz KOZMZLYAJFWIGO-GOSISDBHSA-N 0 1 367.515 0.808 10 0 FCAEMN CCN1CCN(CC(=O)N2CC[C@](C(=O)OC)(c3ccccc3)C2)CC1 ZINC000557450751 491375378 /nfs/dbraw/zinc/37/53/78/491375378.db2.gz BDICKUGAECXBLH-HXUWFJFHSA-N 0 1 359.470 0.967 10 0 FCAEMN CCC[C@@]1(CO)CCCN1C(=O)C(=O)NC[C@@H]1CCCN1CCOC ZINC000557493341 491378132 /nfs/dbraw/zinc/37/81/32/491378132.db2.gz NBCXMWCWMMWGBH-YJBOKZPZSA-N 0 1 355.479 0.367 10 0 FCAEMN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)c2ncnn21 ZINC000660294568 493340249 /nfs/dbraw/zinc/34/02/49/493340249.db2.gz WOVNXXIDADEGLB-UKRRQHHQSA-N 0 1 370.461 0.930 10 0 FCAEMN O=C(Nc1nnc(C2CC2)s1)N1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000565783375 491399617 /nfs/dbraw/zinc/39/96/17/491399617.db2.gz KFBIINVZXQEFLZ-GFCCVEGCSA-N 0 1 364.475 1.234 10 0 FCAEMN CN(C)[C@H]1CCOc2c(NC(=O)C(=O)N3CCN(C)C(=O)C3)cccc21 ZINC000572920313 491402022 /nfs/dbraw/zinc/40/20/22/491402022.db2.gz OASXCMDKHIRVHH-AWEZNQCLSA-N 0 1 360.414 0.311 10 0 FCAEMN COCCCN1CCC(NC(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)CC1 ZINC000557869996 491402392 /nfs/dbraw/zinc/40/23/92/491402392.db2.gz NJVUOLSDSRPNIA-CYBMUJFWSA-N 0 1 361.508 0.752 10 0 FCAEMN CNC(=O)C[C@H](NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1 ZINC000557931983 491405502 /nfs/dbraw/zinc/40/55/02/491405502.db2.gz XERTVVUPJLVUCW-RRQGHBQHSA-N 0 1 372.469 0.579 10 0 FCAEMN C[C@H](NC(=O)NC1CCN([C@@H]2CCC[C@@H]2O)CC1)C1(S(C)(=O)=O)CC1 ZINC000558145711 491416434 /nfs/dbraw/zinc/41/64/34/491416434.db2.gz CWVXWZYGWBNURW-CFVMTHIKSA-N 0 1 373.519 0.629 10 0 FCAEMN COc1cccc([C@H](CNC(=O)C(=O)N2CCC3(COC3)C2)N(C)C)c1 ZINC000668371281 493341776 /nfs/dbraw/zinc/34/17/76/493341776.db2.gz NJAGXRYFBVGGNR-INIZCTEOSA-N 0 1 361.442 0.663 10 0 FCAEMN Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000566132438 491419236 /nfs/dbraw/zinc/41/92/36/491419236.db2.gz XDHBDUFKHJSHMC-HZPDHXFCSA-N 0 1 356.488 0.440 10 0 FCAEMN Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@H](O)CN2CCOCC2)cc1 ZINC000566132439 491419335 /nfs/dbraw/zinc/41/93/35/491419335.db2.gz XDHBDUFKHJSHMC-JKSUJKDBSA-N 0 1 356.488 0.440 10 0 FCAEMN CN(C)Cc1cc(CNC(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)ccc1F ZINC000558217799 491420646 /nfs/dbraw/zinc/42/06/46/491420646.db2.gz PMUHIZFZZQQXER-HNNXBMFYSA-N 0 1 373.432 0.900 10 0 FCAEMN CN(C)Cc1cc(CNC(=O)C(=O)N2CCC[C@]2(C)CO)ccc1F ZINC000558217079 491420657 /nfs/dbraw/zinc/42/06/57/491420657.db2.gz HFRAURUINVAMJQ-GOSISDBHSA-N 0 1 351.422 0.877 10 0 FCAEMN Cn1cnc2c1c(=O)n(CCCN1CCOC[C@H]1C1CCC1)c(=O)n2C ZINC000566185776 491424146 /nfs/dbraw/zinc/42/41/46/491424146.db2.gz RUUJHLLPONUIDX-AWEZNQCLSA-N 0 1 361.446 0.325 10 0 FCAEMN Cc1ncc(Cl)c(C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)n1 ZINC000566204240 491425564 /nfs/dbraw/zinc/42/55/64/491425564.db2.gz NYTWBIMMNHTHKF-GFCCVEGCSA-N 0 1 351.838 0.722 10 0 FCAEMN C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c2ncnn21 ZINC000668372720 493342405 /nfs/dbraw/zinc/34/24/05/493342405.db2.gz PPAGOOUGZPWZSA-BMFZPTHFSA-N 0 1 368.441 0.791 10 0 FCAEMN C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C[C@@H]1C(=O)[O-] ZINC000566241771 491429599 /nfs/dbraw/zinc/42/95/99/491429599.db2.gz JSOSCKNPRNTVPY-YUELXQCFSA-N 0 1 351.447 0.689 10 0 FCAEMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000668372528 493342486 /nfs/dbraw/zinc/34/24/86/493342486.db2.gz KLWWDXLUABWFQG-RCCFBDPRSA-N 0 1 357.454 0.872 10 0 FCAEMN CC(C)(C)N1CC[C@@H]1CNC(=O)C(=O)NCCCN1CCCCCC1=O ZINC000668375713 493343221 /nfs/dbraw/zinc/34/32/21/493343221.db2.gz OZAILFBHFBNWBM-OAHLLOKOSA-N 0 1 366.506 0.884 10 0 FCAEMN Cc1ccnc([C@H]2CCN(CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)c1 ZINC000566428670 491442843 /nfs/dbraw/zinc/44/28/43/491442843.db2.gz IQALSDQTJQWOQW-KRWDZBQOSA-N 0 1 373.501 0.412 10 0 FCAEMN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000573766833 491453467 /nfs/dbraw/zinc/45/34/67/491453467.db2.gz JWULNXDBFVUJJI-UMVBOHGHSA-N 0 1 363.462 0.596 10 0 FCAEMN Cc1nnc(N2CCN(CCC(=O)N(C)C)CC2)n1C[C@@H]1CCCCO1 ZINC000559207262 491457345 /nfs/dbraw/zinc/45/73/45/491457345.db2.gz QDWIRRACNPGBPI-INIZCTEOSA-N 0 1 364.494 0.756 10 0 FCAEMN CCOC(=O)C[C@H](O)C(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000559295256 491462220 /nfs/dbraw/zinc/46/22/20/491462220.db2.gz BHGWKACBQKWPAQ-INIZCTEOSA-N 0 1 350.415 0.896 10 0 FCAEMN C[C@@H]1CN(C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)[C@@H](C)CN1CCO ZINC000566786185 491466321 /nfs/dbraw/zinc/46/63/21/491466321.db2.gz RCCWAINTYSPRQD-IIYDPXPESA-N 0 1 362.430 0.830 10 0 FCAEMN COc1ccccc1OCCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000559367369 491468090 /nfs/dbraw/zinc/46/80/90/491468090.db2.gz MCSKXRMFKHPQSQ-HNNXBMFYSA-N 0 1 361.442 0.885 10 0 FCAEMN CCN(Cc1cn(C)nn1)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000559403128 491470565 /nfs/dbraw/zinc/47/05/65/491470565.db2.gz CSHBUKHQNIKMMQ-INIZCTEOSA-N 0 1 370.457 0.554 10 0 FCAEMN COc1cccc([C@@H](CNC(=O)C(=O)NCCCn2ccnn2)N(C)C)c1 ZINC000559404272 491470608 /nfs/dbraw/zinc/47/06/08/491470608.db2.gz HGIKRJCPWSCFOX-MRXNPFEDSA-N 0 1 374.445 0.212 10 0 FCAEMN COc1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2CN(C)CCN2C)cc1F ZINC000559456110 491475199 /nfs/dbraw/zinc/47/51/99/491475199.db2.gz LBGBAPIDHARYDE-JSGCOSHPSA-N 0 1 366.437 0.374 10 0 FCAEMN Cc1cc(NC(=O)N2C[C@H](C)N(CCO)C[C@H]2C)ccc1-n1cnnn1 ZINC000574179056 491479274 /nfs/dbraw/zinc/47/92/74/491479274.db2.gz KDTROGOFVLWGGT-UONOGXRCSA-N 0 1 359.434 0.890 10 0 FCAEMN Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H](c3nc[nH]n3)C2)cc1 ZINC000567043664 491482090 /nfs/dbraw/zinc/48/20/90/491482090.db2.gz RBPZQXYWFYLCMA-ZDUSSCGKSA-N 0 1 363.443 0.798 10 0 FCAEMN Cc1cc(C[C@@H](C)NC(=O)C(=O)N[C@@H]2CCc3nc(C)ncc3C2)n[nH]1 ZINC000559590308 491483423 /nfs/dbraw/zinc/48/34/23/491483423.db2.gz HVVIQGHAVYIKNA-QMTHXVAHSA-N 0 1 356.430 0.537 10 0 FCAEMN CN1CCN(c2cccc(C(=O)NCCc3cccc(C(N)=O)c3)n2)CC1 ZINC000567057298 491483796 /nfs/dbraw/zinc/48/37/96/491483796.db2.gz HTGNNIMDDYWGAQ-UHFFFAOYSA-N 0 1 367.453 0.905 10 0 FCAEMN CNS(=O)(=O)NCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000567321928 491499403 /nfs/dbraw/zinc/49/94/03/491499403.db2.gz IQODVHMMGWXFEZ-CQSZACIVSA-N 0 1 374.894 0.647 10 0 FCAEMN 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863847556 /nfs/dbraw/zinc/84/75/56/863847556.db2.gz YFTQKTMDNOJGKD-OLZOCXBDSA-N 0 1 363.443 0.403 10 0 FCAEMN CC(C)COCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@@H]1O ZINC001281868942 863853383 /nfs/dbraw/zinc/85/33/83/863853383.db2.gz BKGGTKBFLGGFMS-PMPSAXMXSA-N 0 1 355.479 0.221 10 0 FCAEMN CN(CC(=O)N[C@@H]1CN(C(=O)c2ccc(F)nc2)C[C@@H]1O)C1CCC1 ZINC001281899057 863910417 /nfs/dbraw/zinc/91/04/17/863910417.db2.gz FTTIMSBTJDQSFX-KGLIPLIRSA-N 0 1 350.394 0.007 10 0 FCAEMN CCC[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001281928874 863965410 /nfs/dbraw/zinc/96/54/10/863965410.db2.gz JLAVRKDOWQOWEX-BTJLNZGRSA-N 0 1 352.435 0.644 10 0 FCAEMN O=C(CCc1cnc[nH]1)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCCO1 ZINC001281994410 864026062 /nfs/dbraw/zinc/02/60/62/864026062.db2.gz UQLWQGGNJHIURQ-RBSFLKMASA-N 0 1 350.419 0.301 10 0 FCAEMN COCCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1 ZINC001282007421 864037459 /nfs/dbraw/zinc/03/74/59/864037459.db2.gz KASQMSUKQACRQG-ARFHVFGLSA-N 0 1 355.479 0.677 10 0 FCAEMN CO[C@H](C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001282113965 864061526 /nfs/dbraw/zinc/06/15/26/864061526.db2.gz REWPNUJRSSPDGC-FRRDWIJNSA-N 0 1 352.435 0.956 10 0 FCAEMN CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[C@H](CNC(=O)CN2CCCC2)C1 ZINC001282120825 864067287 /nfs/dbraw/zinc/06/72/87/864067287.db2.gz NFUCUUPWFPUWHC-ARFHVFGLSA-N 0 1 352.479 0.398 10 0 FCAEMN CCO[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001282170567 864094167 /nfs/dbraw/zinc/09/41/67/864094167.db2.gz KWDHLBRQMYJLQJ-CHWSQXEVSA-N 0 1 351.451 0.763 10 0 FCAEMN CCO[C@H](C)C(=O)N1C[C@@H](CNC(=O)c2[nH]ncc2F)[C@H](OCC)C1 ZINC001282171114 864096148 /nfs/dbraw/zinc/09/61/48/864096148.db2.gz LKCWDRMZSDPUEP-NQBHXWOUSA-N 0 1 356.398 0.567 10 0 FCAEMN CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1OCC ZINC001282176879 864100966 /nfs/dbraw/zinc/10/09/66/864100966.db2.gz OIFRUKKDPFACLH-GZBFAFLISA-N 0 1 352.435 0.357 10 0 FCAEMN CCC[C@H](C)C(=O)NC[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1OCC ZINC001282188535 864110151 /nfs/dbraw/zinc/11/01/51/864110151.db2.gz ACJDQMQPOMLDSD-BFHYXJOUSA-N 0 1 351.451 0.763 10 0 FCAEMN COC[C@@H](OC)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)CN1CCCC1 ZINC001282218317 864129112 /nfs/dbraw/zinc/12/91/12/864129112.db2.gz NERVTDXGWJONOY-OWCLPIDISA-N 0 1 355.479 0.487 10 0 FCAEMN CCO[C@H](C(=O)N[C@H]1CCN(C(=O)CCc2c[nH]nn2)[C@@H]1C)C(C)C ZINC001282345179 864202422 /nfs/dbraw/zinc/20/24/22/864202422.db2.gz MGSXBPBOKIQNIR-INWMFGNUSA-N 0 1 351.451 0.904 10 0 FCAEMN CCO[C@H](C(=O)N[C@H]1CCN(C(=O)CCc2cnn[nH]2)[C@@H]1C)C(C)C ZINC001282345179 864202435 /nfs/dbraw/zinc/20/24/35/864202435.db2.gz MGSXBPBOKIQNIR-INWMFGNUSA-N 0 1 351.451 0.904 10 0 FCAEMN CCN(CC)C[C@@H](F)C(=O)N[C@H]1CCN(C(=O)c2cccnn2)[C@@H]1C ZINC001282350987 864208831 /nfs/dbraw/zinc/20/88/31/864208831.db2.gz VYBVKFOFGJRJDL-MCIONIFRSA-N 0 1 351.426 0.876 10 0 FCAEMN COCCCOCCC(=O)N1CC[C@H](NC(=O)c2[nH]ncc2F)[C@H]1C ZINC001282386825 864241844 /nfs/dbraw/zinc/24/18/44/864241844.db2.gz WNAJLZWMQUBXTB-YPMHNXCESA-N 0 1 356.398 0.711 10 0 FCAEMN CCCC(=O)NCC(=O)N1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)[C@H]1C ZINC001282390980 864243354 /nfs/dbraw/zinc/24/33/54/864243354.db2.gz CHDVXDZYBAYRHZ-KFWWJZLASA-N 0 1 352.479 0.350 10 0 FCAEMN C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@]2(C)C1 ZINC001282429785 864252407 /nfs/dbraw/zinc/25/24/07/864252407.db2.gz MWKYVISRSRJOTN-HSMVNMDESA-N 0 1 368.459 0.011 10 0 FCAEMN C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1CNC(=O)C1(F)CCOCC1 ZINC001282489050 864298915 /nfs/dbraw/zinc/29/89/15/864298915.db2.gz DVEXBFUOPVFNGQ-HUUCEWRRSA-N 0 1 355.454 0.812 10 0 FCAEMN CCOCCO[C@H](C)C(=O)N1C[C@@H](CNC(=O)c2cnn[nH]2)[C@H](C)C1 ZINC001282492601 864303264 /nfs/dbraw/zinc/30/32/64/864303264.db2.gz LNZNIGCAJDUIQK-JHJVBQTASA-N 0 1 353.423 0.071 10 0 FCAEMN CNC(=O)CC(=O)N1C[C@@H](CNC(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001282505812 864310914 /nfs/dbraw/zinc/31/09/14/864310914.db2.gz DDDIUIGULHWNFR-HUUCEWRRSA-N 0 1 352.479 0.065 10 0 FCAEMN CC(C)[C@@H](CCN(C)C(=O)[C@]12C[C@H]1COC2)[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001282550900 864341232 /nfs/dbraw/zinc/34/12/32/864341232.db2.gz PFFTVDOWYQMBCF-AHIWAGSCSA-N 0 1 351.451 0.108 10 0 FCAEMN CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn[nH]1)S(C)(=O)=O ZINC001282795224 864444576 /nfs/dbraw/zinc/44/45/76/864444576.db2.gz HJBWDZGFAWMGPG-JLLWLGSASA-N 0 1 354.432 0.095 10 0 FCAEMN CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NCC(=O)N1CCC(C)CC1 ZINC001283785211 864520456 /nfs/dbraw/zinc/52/04/56/864520456.db2.gz RQXDXMPGAKCDGQ-OAGGEKHMSA-N 0 1 355.479 0.127 10 0 FCAEMN CN1CCCC[C@@H]1C(=O)NCCCN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001283795568 864520524 /nfs/dbraw/zinc/52/05/24/864520524.db2.gz DMOSGTOBLGZXKL-QLFBSQMISA-N 0 1 350.463 0.089 10 0 FCAEMN CCCN(C(=O)c1ccn[nH]1)[C@@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001284806693 864596839 /nfs/dbraw/zinc/59/68/39/864596839.db2.gz GJNITKPFJOIIKN-GUTXKFCHSA-N 0 1 350.419 0.667 10 0 FCAEMN CC[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NC(=O)C1=NC(=O)N(C)C1 ZINC001285079871 864608633 /nfs/dbraw/zinc/60/86/33/864608633.db2.gz SQUZTCGMOHBKMZ-KZVDOYCCSA-N 0 1 350.419 0.565 10 0 FCAEMN CC(C)[C@H](CNC(=O)c1[nH]ncc1F)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001285343873 864623234 /nfs/dbraw/zinc/62/32/34/864623234.db2.gz DOXRPECKSYVSHR-SSHUMNHMSA-N 0 1 350.394 0.843 10 0 FCAEMN CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H](CNC(=O)CCc1c[nH]nn1)C(C)C ZINC001285350971 864624398 /nfs/dbraw/zinc/62/43/98/864624398.db2.gz ZJLPMDZTKHSYKS-INWMFGNUSA-N 0 1 351.451 0.809 10 0 FCAEMN CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H](CNC(=O)CCc1cnn[nH]1)C(C)C ZINC001285350971 864624401 /nfs/dbraw/zinc/62/44/01/864624401.db2.gz ZJLPMDZTKHSYKS-INWMFGNUSA-N 0 1 351.451 0.809 10 0 FCAEMN Cc1[nH]nc(Cl)c1C(=O)NC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001285442355 864632098 /nfs/dbraw/zinc/63/20/98/864632098.db2.gz ZVYZDGSOPXNCGQ-OPRDCNLKSA-N 0 1 366.809 0.105 10 0 FCAEMN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001285868327 864650622 /nfs/dbraw/zinc/65/06/22/864650622.db2.gz KTWOBAGCQDETJY-PRJMDXOYSA-N 0 1 361.324 0.127 10 0 FCAEMN CN1CCC[C@@H]1C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCCCC1 ZINC001286042474 864671149 /nfs/dbraw/zinc/67/11/49/864671149.db2.gz HZQOMCZUMQPBBL-HZSPNIEDSA-N 0 1 350.463 0.137 10 0 FCAEMN C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001286455406 864695289 /nfs/dbraw/zinc/69/52/89/864695289.db2.gz SARQSWDFHAGJCX-DUPGQFARSA-N 0 1 350.419 0.157 10 0 FCAEMN CCCOCC(=O)N[C@@H]1CN(C(=O)c2c(Cl)[nH]nc2C2CC2)C[C@H]1O ZINC001289025536 864865307 /nfs/dbraw/zinc/86/53/07/864865307.db2.gz IRTAXIIKWXQXRB-GHMZBOCLSA-N 0 1 370.837 0.669 10 0 FCAEMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(C(=O)C2(F)CCCC2)C[C@H]1O ZINC001289082647 864905288 /nfs/dbraw/zinc/90/52/88/864905288.db2.gz UQDGUEPEHJPAIN-MRVWCRGKSA-N 0 1 352.410 0.559 10 0 FCAEMN CC(C)CCCCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1O ZINC001289153284 864953022 /nfs/dbraw/zinc/95/30/22/864953022.db2.gz KSPZLDABJOMUGX-HUUCEWRRSA-N 0 1 351.451 0.642 10 0 FCAEMN CC(C)CCCCC(=O)N[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1O ZINC001289153284 864953030 /nfs/dbraw/zinc/95/30/30/864953030.db2.gz KSPZLDABJOMUGX-HUUCEWRRSA-N 0 1 351.451 0.642 10 0 FCAEMN CN1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCCC(F)(F)F)C[C@H]1O ZINC001289159635 864956453 /nfs/dbraw/zinc/95/64/53/864956453.db2.gz MEFPYTFCQKZYKT-FRRDWIJNSA-N 0 1 365.396 0.891 10 0 FCAEMN CCCC[C@](C)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001289176461 864968049 /nfs/dbraw/zinc/96/80/49/864968049.db2.gz OKLQIPSVSNGEQA-SIVJFFJCSA-N 0 1 356.398 0.346 10 0 FCAEMN CC(C)CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001289335376 865023358 /nfs/dbraw/zinc/02/33/58/865023358.db2.gz LXPKTIFVFGDDIB-MGPQQGTHSA-N 0 1 351.451 0.762 10 0 FCAEMN COCCCOCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCCN2C)C[C@H]1C ZINC001289414797 865051624 /nfs/dbraw/zinc/05/16/24/865051624.db2.gz VZTMVKLUKXKJQV-BZUAXINKSA-N 0 1 355.479 0.487 10 0 FCAEMN CO[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1NC(=O)CCC1CCC1 ZINC001289460438 865078487 /nfs/dbraw/zinc/07/84/87/865078487.db2.gz WWOQNMKEHGSISK-TZMCWYRMSA-N 0 1 350.419 0.662 10 0 FCAEMN CCCSCC(=O)N1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@H](OC)C1 ZINC001289537880 865125247 /nfs/dbraw/zinc/12/52/47/865125247.db2.gz BIQMJJJBOIBOAK-ZYHUDNBSSA-N 0 1 356.448 0.225 10 0 FCAEMN CS[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2sccc2CN(C)C)C[C@@H]1O ZINC001289568699 865143234 /nfs/dbraw/zinc/14/32/34/865143234.db2.gz DTCNDXXJMAHZTG-RTXFEEFZSA-N 0 1 371.528 0.863 10 0 FCAEMN CCCc1cc(C(=O)N2C[C@@H](NC(=O)[C@H](OC)C3CC3)[C@@H](O)C2)n[nH]1 ZINC001289604847 865169556 /nfs/dbraw/zinc/16/95/56/865169556.db2.gz BUWCVTHWCUHNRX-QLFBSQMISA-N 0 1 350.419 0.089 10 0 FCAEMN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCc2nn[nH]n2)c1 ZINC001290115715 865334493 /nfs/dbraw/zinc/33/44/93/865334493.db2.gz BYIUPBMOAYJDLG-UHFFFAOYSA-N 0 1 352.420 0.848 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)C[C@H](OC)C(F)(F)F 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Cn1c2ccccc2n(CCC(=O)N2CCC[C@H](c3nn[nH]n3)C2)c1=O ZINC000155537198 488756179 /nfs/dbraw/zinc/75/61/79/488756179.db2.gz MJNUPMVCCHXHSU-LBPRGKRZSA-N 0 1 355.402 0.649 10 0 FCAEMN COc1ccc2c(c1)[nH]cc(C(=O)N1CCN(C(C)(C)C(N)=O)CC1)c2=O ZINC000267080600 488759361 /nfs/dbraw/zinc/75/93/61/488759361.db2.gz CFGBPEMYLYCKNZ-UHFFFAOYSA-N 0 1 372.425 0.971 10 0 FCAEMN Cc1cc(C[C@H](C)NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)n[nH]1 ZINC000155836297 488759717 /nfs/dbraw/zinc/75/97/17/488759717.db2.gz IDXMIVMQTCJWSC-NSHDSACASA-N 0 1 355.398 0.859 10 0 FCAEMN O=S1(=O)CCN(C2CCN([C@H]3Cc4ccccc4[C@H]3O)CC2)CC1 ZINC000155973441 488760940 /nfs/dbraw/zinc/76/09/40/488760940.db2.gz RCSNNRCCZDYNCD-ZWKOTPCHSA-N 0 1 350.484 0.840 10 0 FCAEMN Cc1cc(N2CCN(C(=O)C[N@H+]3CC[C@H](CO)C3)CC2)nc(C(C)C)n1 ZINC000157424637 488771243 /nfs/dbraw/zinc/77/12/43/488771243.db2.gz NGDAXLDUFSYELZ-INIZCTEOSA-N 0 1 361.490 0.871 10 0 FCAEMN C[C@@H](Cn1cncn1)NC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000158219512 488776329 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O=C(CN1CCC[C@H](Cn2cncn2)C1)N1CCN(c2cnccn2)CC1 ZINC000171503893 488823465 /nfs/dbraw/zinc/82/34/65/488823465.db2.gz UYLGTGDKYCLIFD-INIZCTEOSA-N 0 1 370.461 0.129 10 0 FCAEMN Cc1cnn([C@@H]2CCCN(CC(=O)N3CCN(c4cnccn4)CC3)C2)c1 ZINC000171529151 488824077 /nfs/dbraw/zinc/82/40/77/488824077.db2.gz OOUGKKONWWWKPI-QGZVFWFLSA-N 0 1 369.473 0.967 10 0 FCAEMN CN1CCN(c2cc(C(=O)NCCC(=O)N3CCCCC3)ccn2)CC1 ZINC000171675994 488825534 /nfs/dbraw/zinc/82/55/34/488825534.db2.gz KCBGTJDMPRKGSW-UHFFFAOYSA-N 0 1 359.474 0.966 10 0 FCAEMN C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000171716964 488826477 /nfs/dbraw/zinc/82/64/77/488826477.db2.gz SPPAHTICEVSNRH-JKSUJKDBSA-N 0 1 361.494 0.381 10 0 FCAEMN CN1CCN(c2cc(C(=O)N3CCC[C@@H]3C(=O)NC3CC3)ccn2)CC1 ZINC000171798286 488827135 /nfs/dbraw/zinc/82/71/35/488827135.db2.gz MBFIKSUUHPZJKX-MRXNPFEDSA-N 0 1 357.458 0.717 10 0 FCAEMN COCCNC(=O)CNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000171949973 488829271 /nfs/dbraw/zinc/82/92/71/488829271.db2.gz RODZXTCPQQKVOC-UHFFFAOYSA-N 0 1 355.192 0.818 10 0 FCAEMN CC[C@@H]1CN(C(=O)NCCN2CCOCC2(C)C)CCN1CCOC ZINC000172335078 488833114 /nfs/dbraw/zinc/83/31/14/488833114.db2.gz VJRJECCFRZSQGW-MRXNPFEDSA-N 0 1 356.511 0.849 10 0 FCAEMN NC(=O)[C@H]1CCC[C@@H](NC(=O)CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000172426460 488834137 /nfs/dbraw/zinc/83/41/37/488834137.db2.gz TYGYHXRRZDVFDO-NWDGAFQWSA-N 0 1 357.414 0.843 10 0 FCAEMN CN1CCN(c2ncccc2CNC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000172568637 488835859 /nfs/dbraw/zinc/83/58/59/488835859.db2.gz FWJBMZHFLCHXPW-ZBFHGGJFSA-N 0 1 374.489 0.677 10 0 FCAEMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)n[nH]1 ZINC000172746985 488837139 /nfs/dbraw/zinc/83/71/39/488837139.db2.gz JKGSJFIGDLBUNN-AWEZNQCLSA-N 0 1 358.446 0.974 10 0 FCAEMN CC[C@H](O)CN1CCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)CC1 ZINC000172819648 488838768 /nfs/dbraw/zinc/83/87/68/488838768.db2.gz KYLQAKXHKPKGIE-HNNXBMFYSA-N 0 1 368.503 0.663 10 0 FCAEMN Cc1nc([C@H]2CN(C(=O)CNC(=O)c3cc4ccccc4[nH]3)CCO2)n[nH]1 ZINC000173090817 488840820 /nfs/dbraw/zinc/84/08/20/488840820.db2.gz JKWRPGHNKYJFDE-OAHLLOKOSA-N 0 1 368.397 0.924 10 0 FCAEMN Cc1nc([C@@H]2CN(C(=O)CCn3cnc4sccc4c3=O)CCO2)n[nH]1 ZINC000173531422 488843247 /nfs/dbraw/zinc/84/32/47/488843247.db2.gz OPOLNVJEYXOPIS-LBPRGKRZSA-N 0 1 374.426 0.875 10 0 FCAEMN Cc1nc([C@@H]2CN(C(=O)c3cn(Cc4ccccc4)nn3)CCO2)n[nH]1 ZINC000173527292 488843350 /nfs/dbraw/zinc/84/33/50/488843350.db2.gz IQQQFELMRXTSAW-HNNXBMFYSA-N 0 1 353.386 0.967 10 0 FCAEMN Cc1nnc([C@H]2CN(C(=O)c3ccnc(N4CCN(C)CC4)c3)CCO2)[nH]1 ZINC000173534229 488843555 /nfs/dbraw/zinc/84/35/55/488843555.db2.gz HOVHRPSDJXKALY-OAHLLOKOSA-N 0 1 371.445 0.474 10 0 FCAEMN CCc1nc([C@H]2CN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)CCO2)n[nH]1 ZINC000173581567 488843752 /nfs/dbraw/zinc/84/37/52/488843752.db2.gz SWTABVHNUQSJRA-UONOGXRCSA-N 0 1 361.446 0.916 10 0 FCAEMN CN(CC(=O)NC(C)(C)C)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000173732894 488844988 /nfs/dbraw/zinc/84/49/88/488844988.db2.gz VEHALOANAFLWJA-UHFFFAOYSA-N 0 1 361.490 0.967 10 0 FCAEMN CCc1nc([C@@H]2CN(S(=O)(=O)c3c(C)nn(C)c3C)CCO2)n[nH]1 ZINC000173740726 488845108 /nfs/dbraw/zinc/84/51/08/488845108.db2.gz UIHXPONLVOCFFS-NSHDSACASA-N 0 1 354.436 0.480 10 0 FCAEMN C[C@H]1CN(C(=O)c2ccnc(N3CCN(C)CC3)c2)C[C@@H]1N1CCOCC1 ZINC000173846095 488845707 /nfs/dbraw/zinc/84/57/07/488845707.db2.gz GMAWXDDJNDCGGT-WMZOPIPTSA-N 0 1 373.501 0.626 10 0 FCAEMN Cc1nnc([C@@H]2CN(C(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)CCO2)[n-]1 ZINC000174641804 488850543 /nfs/dbraw/zinc/85/05/43/488850543.db2.gz HLZNKCVAINRLQQ-GJZGRUSLSA-N 0 1 351.451 0.806 10 0 FCAEMN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000175006205 488852702 /nfs/dbraw/zinc/85/27/02/488852702.db2.gz GVUQRZJTUUDGPT-ZIAGYGMSSA-N 0 1 364.471 0.569 10 0 FCAEMN NC(=O)[C@H]1CCC[C@@H](NC(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000175096979 488852930 /nfs/dbraw/zinc/85/29/30/488852930.db2.gz LJFKSFXZRCYIRF-JKSUJKDBSA-N 0 1 359.474 0.754 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/nfs/dbraw/zinc/34/41/14/493344114.db2.gz DOMKPOURKJUHNI-QZTJIDSGSA-N 0 1 355.442 0.998 10 0 FCAEMN C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)C[C@H]1C(=O)[O-] ZINC000573847964 491458570 /nfs/dbraw/zinc/45/85/70/491458570.db2.gz ULWWVDFQQFZRPO-JHJVBQTASA-N 0 1 351.403 0.568 10 0 FCAEMN CNS(=O)(=O)c1cc(NC(=O)c2cc(C(=O)OC)co2)ccc1O ZINC000566699951 491461394 /nfs/dbraw/zinc/46/13/94/491461394.db2.gz PGYFTUHTKKRUGB-UHFFFAOYSA-N 0 1 354.340 0.932 10 0 FCAEMN CN(C)[C@H](CNC(=O)C(=O)N1CCN2CCOC[C@H]2C1)c1cccs1 ZINC000559390702 491469570 /nfs/dbraw/zinc/46/95/70/491469570.db2.gz CQVBJRFHTFNZFU-ZIAGYGMSSA-N 0 1 366.487 0.010 10 0 FCAEMN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000566828423 491470044 /nfs/dbraw/zinc/47/00/44/491470044.db2.gz RGSULMXEUQLESH-ZNMIVQPWSA-N 0 1 350.419 0.109 10 0 FCAEMN O=C(CNC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1)N1CCNCC1 ZINC000574060054 491471891 /nfs/dbraw/zinc/47/18/91/491471891.db2.gz QJJMRYSPBLYOJM-LBPRGKRZSA-N 0 1 367.400 0.275 10 0 FCAEMN CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000559441704 491473179 /nfs/dbraw/zinc/47/31/79/491473179.db2.gz WXHJBIZSZXTWMF-PMPSAXMXSA-N 0 1 355.479 0.533 10 0 FCAEMN COCCN1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc(COC)c1 ZINC000574105468 491475071 /nfs/dbraw/zinc/47/50/71/491475071.db2.gz NHCNREQFYLWJIA-QGZVFWFLSA-N 0 1 363.458 0.676 10 0 FCAEMN CC(C)CN1CCO[C@H](CNC(=O)CN2CC[C@@H](C)[S@](=O)CC2)C1 ZINC000574137117 491476682 /nfs/dbraw/zinc/47/66/82/491476682.db2.gz OJFFFWBPMHICHI-DQIAKBPPSA-N 0 1 359.536 0.302 10 0 FCAEMN CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NCc1ccc2cncn2c1 ZINC000566959967 491477076 /nfs/dbraw/zinc/47/70/76/491477076.db2.gz UHWBKZLFFQIEQK-UKRRQHHQSA-N 0 1 365.459 0.851 10 0 FCAEMN COCCOCCN1C(=O)C[C@H](N2CCC(C3CCOCC3)CC2)C1=O ZINC000566967416 491477599 /nfs/dbraw/zinc/47/75/99/491477599.db2.gz ZDITXSMCXSFIBQ-KRWDZBQOSA-N 0 1 368.474 0.916 10 0 FCAEMN Cc1cc(NC(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)ccc1-n1cnnn1 ZINC000574179058 491479226 /nfs/dbraw/zinc/47/92/26/491479226.db2.gz KDTROGOFVLWGGT-ZIAGYGMSSA-N 0 1 359.434 0.890 10 0 FCAEMN CCN1CCCN(C(=O)C(=O)N[C@H](C)c2nnc3n2CCCCC3)CC1 ZINC000559577404 491482518 /nfs/dbraw/zinc/48/25/18/491482518.db2.gz HXJXUZCCYAZWNP-CQSZACIVSA-N 0 1 362.478 0.736 10 0 FCAEMN CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCCO1)N1CCN(C)CC1 ZINC000559615471 491485897 /nfs/dbraw/zinc/48/58/97/491485897.db2.gz QIMHIEGDTVPCNB-JKSUJKDBSA-N 0 1 354.495 0.012 10 0 FCAEMN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)c2ccccn2)C1 ZINC000668389029 493345949 /nfs/dbraw/zinc/34/59/49/493345949.db2.gz PQCFEWWPCHYEAD-HZPDHXFCSA-N 0 1 362.474 0.774 10 0 FCAEMN COC(=O)c1nc[nH]c1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000574287438 491487098 /nfs/dbraw/zinc/48/70/98/491487098.db2.gz GGXHMQWDRODTOY-UHFFFAOYSA-N 0 1 363.374 0.732 10 0 FCAEMN Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCCO2)c(C)cn1 ZINC000567124726 491487334 /nfs/dbraw/zinc/48/73/34/491487334.db2.gz PZYZPYWOPCZDLG-UHFFFAOYSA-N 0 1 363.461 0.219 10 0 FCAEMN CCOC(=O)c1cnc(NC(=O)Nc2cc(-c3nccn3C)n[nH]2)n1C ZINC000574383658 491492407 /nfs/dbraw/zinc/49/24/07/491492407.db2.gz DFETUMAWAQLQFZ-UHFFFAOYSA-N 0 1 358.362 1.364 10 0 FCAEMN CCOc1cccc(CNC(=O)C(=O)NC[C@@H]2CCCN2CCOC)c1 ZINC000559706557 491493188 /nfs/dbraw/zinc/49/31/88/491493188.db2.gz UFHHJQYXOUOHKY-INIZCTEOSA-N 0 1 363.458 0.929 10 0 FCAEMN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@](O)(C3CC3)C2)C1 ZINC000668390143 493346248 /nfs/dbraw/zinc/34/62/48/493346248.db2.gz MHINZQPIARUOKY-LPHOPBHVSA-N 0 1 367.490 0.223 10 0 FCAEMN CCN1C[C@@H](NC(=O)NCc2ccc(N3CCN(CC)CC3)nc2)CC1=O ZINC000567341780 491500805 /nfs/dbraw/zinc/50/08/05/491500805.db2.gz XBUKCOUSJONJJC-INIZCTEOSA-N 0 1 374.489 0.644 10 0 FCAEMN CCN(CC)C(=O)CN1CCC(NC(=O)c2cc(C(N)=O)cn2C)CC1 ZINC000574508119 491501574 /nfs/dbraw/zinc/50/15/74/491501574.db2.gz HLKBBZJIDLHZIV-UHFFFAOYSA-N 0 1 363.462 0.187 10 0 FCAEMN O=C(NCCCCN1CCOCC1)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000559832831 491503222 /nfs/dbraw/zinc/50/32/22/491503222.db2.gz BUUWEJFSMNXRSI-XHSDSOJGSA-N 0 1 365.474 0.289 10 0 FCAEMN C[C@H]1O[C@@H](C)CN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@H]1C ZINC000574548075 491504561 /nfs/dbraw/zinc/50/45/61/491504561.db2.gz VOELWBPWUAAAFL-FXUDXRNXSA-N 0 1 355.479 0.628 10 0 FCAEMN C[C@H](CN1CCN(C)CC1)NC(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000668395499 493347124 /nfs/dbraw/zinc/34/71/24/493347124.db2.gz JXPGBWMRBLAHPK-MCIONIFRSA-N 0 1 367.412 0.723 10 0 FCAEMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000560070042 491518680 /nfs/dbraw/zinc/51/86/80/491518680.db2.gz PZZVLIDRJMVMIH-BDAKNGLRSA-N 0 1 366.461 0.366 10 0 FCAEMN CC(C)N1CCN(C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000567509759 491510740 /nfs/dbraw/zinc/51/07/40/491510740.db2.gz GVCDZFLFOIDHEJ-HNNXBMFYSA-N 0 1 362.478 0.647 10 0 FCAEMN Cc1cnn(CCN2CCN(CCn3cc(C)cn3)[C@H](C(=O)N(C)C)C2)c1 ZINC000560161778 491521846 /nfs/dbraw/zinc/52/18/46/491521846.db2.gz BYTPKQYCNOEASG-SFHVURJKSA-N 0 1 373.505 0.471 10 0 FCAEMN CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CCCCN2C2CC2)nn1 ZINC000560215392 491524523 /nfs/dbraw/zinc/52/45/23/491524523.db2.gz CKCYNYSHAYBGBN-AWEZNQCLSA-N 0 1 361.446 1.335 10 0 FCAEMN COc1ccc(CNC(=O)NCC(=O)N2CCNCC2)cc1OC(F)F ZINC000567714280 491524840 /nfs/dbraw/zinc/52/48/40/491524840.db2.gz QNZKPSMLFCBQMI-UHFFFAOYSA-N 0 1 372.372 0.528 10 0 FCAEMN C[C@H]1CN(C(=O)NCC(=O)N2CCNCC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000574975519 491531316 /nfs/dbraw/zinc/53/13/16/491531316.db2.gz FREDHWVJDXKCKS-BBRMVZONSA-N 0 1 364.421 0.729 10 0 FCAEMN CC[N@@H+](CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C1CC1 ZINC000567887544 491538020 /nfs/dbraw/zinc/53/80/20/491538020.db2.gz MPZLNYQXIFNBRK-SJORKVTESA-N 0 1 373.453 0.914 10 0 FCAEMN CCC[C@H](C)[C@H](CO)NCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000567992760 491545717 /nfs/dbraw/zinc/54/57/17/491545717.db2.gz YBPHQTRISPEMTQ-STQMWFEESA-N 0 1 368.478 0.355 10 0 FCAEMN CCOC(=O)[C@@H]([N-]S(=O)(=O)CC[NH+](CC)CC)[C@@H]1CCCOC1 ZINC000568010307 491547169 /nfs/dbraw/zinc/54/71/69/491547169.db2.gz AFEXRTIEZUSSMG-KGLIPLIRSA-N 0 1 350.481 0.606 10 0 FCAEMN CCOC(=O)[C@@H](NS(=O)(=O)CCN(CC)CC)[C@@H]1CCCOC1 ZINC000568010307 491547170 /nfs/dbraw/zinc/54/71/70/491547170.db2.gz AFEXRTIEZUSSMG-KGLIPLIRSA-N 0 1 350.481 0.606 10 0 FCAEMN CCc1nc([C@@H](C)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)n[nH]1 ZINC000660408469 493349808 /nfs/dbraw/zinc/34/98/08/493349808.db2.gz NEWUUWHQCLYEPJ-OLZOCXBDSA-N 0 1 359.496 0.801 10 0 FCAEMN COCCn1cc(C(=O)N(C)CC(=O)N2CCNCC2)c2ccccc21 ZINC000568149193 491555860 /nfs/dbraw/zinc/55/58/60/491555860.db2.gz CWFCITBVAQHOBF-UHFFFAOYSA-N 0 1 358.442 0.792 10 0 FCAEMN CN(C(=O)C(=O)NCc1cnn(CC(F)(F)F)c1)[C@H]1CCN(C2CC2)C1 ZINC000673603538 493350068 /nfs/dbraw/zinc/35/00/68/493350068.db2.gz UPXVVTFNVNURTI-ZDUSSCGKSA-N 0 1 373.379 0.757 10 0 FCAEMN COC(=O)c1c(OC)ccc(S(=O)(=O)N[C@@H](C)CN(C)C)c1OC ZINC000568309481 491568880 /nfs/dbraw/zinc/56/88/80/491568880.db2.gz FVNUFNYIAZZDEA-JTQLQIEISA-N 0 1 360.432 0.719 10 0 FCAEMN Cc1c(NC(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)cccc1-n1cnnn1 ZINC000561116746 491575566 /nfs/dbraw/zinc/57/55/66/491575566.db2.gz QTMQLGNGVAIXKW-STQMWFEESA-N 0 1 359.434 0.890 10 0 FCAEMN COCCN1CCC[C@@H]1CNC(=O)C(=O)NCCC1CCC(OC)CC1 ZINC000561119691 491576089 /nfs/dbraw/zinc/57/60/89/491576089.db2.gz BGQFREOFVPQFFI-AQFXKWCLSA-N 0 1 369.506 0.925 10 0 FCAEMN CN1CC[C@H](NC(=O)C(=O)NCc2nnc3n2CCC3)[C@H]1c1ccccc1 ZINC000576012719 491576082 /nfs/dbraw/zinc/57/60/82/491576082.db2.gz GQETWVULUWSXIX-WMLDXEAASA-N 0 1 368.441 0.402 10 0 FCAEMN CCN(C(=O)C(=O)N[C@H](C)c1nnc2n1CCCCC2)[C@@H]1CCN(C)C1 ZINC000668421455 493351712 /nfs/dbraw/zinc/35/17/12/493351712.db2.gz ZAUWNZVJFKQNKN-ZIAGYGMSSA-N 0 1 362.478 0.734 10 0 FCAEMN CCO[C@H]1C[C@H](O)C12CCN(C(=O)C(=O)N1C[C@H]3CCC[C@@H](C1)N3)CC2 ZINC000576099315 491581540 /nfs/dbraw/zinc/58/15/40/491581540.db2.gz AYZCPROWOALWGL-FZKCQIBNSA-N 0 1 365.474 0.118 10 0 FCAEMN CN(C)C(=O)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCN2C(C)(C)C)cc1 ZINC000668426598 493352282 /nfs/dbraw/zinc/35/22/82/493352282.db2.gz RFBRBJFZZJLUPH-INIZCTEOSA-N 0 1 374.485 0.994 10 0 FCAEMN CO[C@H](CS(=O)(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)C1CC1 ZINC000577058583 491585452 /nfs/dbraw/zinc/58/54/52/491585452.db2.gz QXIQSVJUEIBKSU-QZTJIDSGSA-N 0 1 368.499 0.968 10 0 FCAEMN CCN(C(=O)C(=O)NC[C@H](C(C)C)N1CCOCC1)[C@H]1CCN(C)C1 ZINC000668427242 493352875 /nfs/dbraw/zinc/35/28/75/493352875.db2.gz GANUWZAALDONPZ-JKSUJKDBSA-N 0 1 354.495 0.012 10 0 FCAEMN CCNC(=O)C[C@H]1CCCCN1CC(=O)N(CC)CC(=O)NC(C)C ZINC000577083932 491587955 /nfs/dbraw/zinc/58/79/55/491587955.db2.gz WKFQETGJJQGNKT-OAHLLOKOSA-N 0 1 354.495 0.740 10 0 FCAEMN CN(C)CCCN(C(=O)c1cn2c(n1)CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000584413611 491588439 /nfs/dbraw/zinc/58/84/39/491588439.db2.gz SWPYWPQGXYFEFO-ZDUSSCGKSA-N 0 1 354.476 0.410 10 0 FCAEMN CN(C(=O)C(=O)NCc1nccn1CC(F)(F)F)[C@H]1CCN(C2CC2)C1 ZINC000561251097 491589150 /nfs/dbraw/zinc/58/91/50/491589150.db2.gz JCPNWDGYCILFHF-LBPRGKRZSA-N 0 1 373.379 0.757 10 0 FCAEMN 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Cc1nc(CC(=O)NCCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C(C)C)n[nH]1 ZINC001296697546 1262830509 /nfs/dbraw/zinc/83/05/09/1262830509.db2.gz DPZNGKPNPYUUOW-KFWWJZLASA-N 0 1 363.462 0.966 10 0 FCAEMN CN(C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1)C(=O)C(C)(C)c1c[nH]cn1 ZINC001296870946 1262841141 /nfs/dbraw/zinc/84/11/41/1262841141.db2.gz XOTJRLDDAWXVIW-XQQFMLRXSA-N 0 1 361.446 0.116 10 0 FCAEMN CCOCc1nnc(N2CCN3CCCC[C@@H]3C2)n1C[C@@]1(O)CCOC1 ZINC001297312576 1262860174 /nfs/dbraw/zinc/86/01/74/1262860174.db2.gz JFQIYWBJARRTRK-QAPCUYQASA-N 0 1 365.478 0.641 10 0 FCAEMN CC(C)[C@@H](NC(=O)c1[nH]ncc1F)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001297321733 1262860364 /nfs/dbraw/zinc/86/03/64/1262860364.db2.gz IKKUJXBLUJNKSE-CYBMUJFWSA-N 0 1 363.397 0.500 10 0 FCAEMN CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)NC(=O)CCc1cnc[nH]1 ZINC001297497358 1262874606 /nfs/dbraw/zinc/87/46/06/1262874606.db2.gz FTHVYIUZCXDRBF-CWRNSKLLSA-N 0 1 358.446 0.891 10 0 FCAEMN Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@](C)(NC(=O)c1ncn[nH]1)C1CC1 ZINC001297580951 1262882317 /nfs/dbraw/zinc/88/23/17/1262882317.db2.gz RMBFEZWFEDWVER-QFSBIZTOSA-N 0 1 357.418 0.357 10 0 FCAEMN Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@](C)(NC(=O)c1nc[nH]n1)C1CC1 ZINC001297580951 1262882325 /nfs/dbraw/zinc/88/23/25/1262882325.db2.gz RMBFEZWFEDWVER-QFSBIZTOSA-N 0 1 357.418 0.357 10 0 FCAEMN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001297765998 1262891531 /nfs/dbraw/zinc/89/15/31/1262891531.db2.gz RKJKPUYMUDSMRU-MRVWCRGKSA-N 0 1 361.446 0.250 10 0 FCAEMN COc1nn(C)cc1C(=O)NC[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001297766813 1262892141 /nfs/dbraw/zinc/89/21/41/1262892141.db2.gz VCOAVIWJFQPFIT-IJLUTSLNSA-N 0 1 360.418 0.438 10 0 FCAEMN CC(C)C[C@H](CNC(=O)c1cn(C)nn1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001297842085 1262895980 /nfs/dbraw/zinc/89/59/80/1262895980.db2.gz JOTALUHCUSZCSU-JHJVBQTASA-N 0 1 359.434 0.603 10 0 FCAEMN CC(C)C[C@@H](CNC(=O)C(C)(C)C(N)=O)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001297842116 1262897059 /nfs/dbraw/zinc/89/70/59/1262897059.db2.gz KJIBQPHJUMKQRV-YNEHKIRRSA-N 0 1 363.462 0.672 10 0 FCAEMN Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)cn1 ZINC001297868291 1262898797 /nfs/dbraw/zinc/89/87/97/1262898797.db2.gz DHASIRLDHFUSLD-CYBMUJFWSA-N 0 1 353.386 0.726 10 0 FCAEMN CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NC(=O)Cc1nnc[nH]1 ZINC001297989859 1262904461 /nfs/dbraw/zinc/90/44/61/1262904461.db2.gz UZPIYELVKHJQCI-ZNMIVQPWSA-N 0 1 363.462 0.667 10 0 FCAEMN CCCc1nc(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)co1 ZINC001298195453 1262918966 /nfs/dbraw/zinc/91/89/66/1262918966.db2.gz YRXGXWFPZJFTPA-QJPTWQEYSA-N 0 1 361.402 0.361 10 0 FCAEMN CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)NCCc1nc[nH]n1 ZINC001298358940 1262923740 /nfs/dbraw/zinc/92/37/40/1262923740.db2.gz BQTVYUAJMDXOGD-CYBMUJFWSA-N 0 1 360.418 0.994 10 0 FCAEMN Cn1nccc1[C@@H]1C[C@H]1C(=O)NC/C=C/CNC(=O)CCc1cnc[nH]1 ZINC001298447323 1262928615 /nfs/dbraw/zinc/92/86/15/1262928615.db2.gz PNQBCPFJCCJYBF-SWVJOTTGSA-N 0 1 356.430 0.668 10 0 FCAEMN Cn1cc([C@@H](NC(=O)c2cccc3nc(CO)[nH]c32)c2ncon2)cn1 ZINC001298582430 1262932369 /nfs/dbraw/zinc/93/23/69/1262932369.db2.gz ZDFLEIUZQUBTOD-CYBMUJFWSA-N 0 1 353.342 0.691 10 0 FCAEMN C[C@H](Cc1cnc[nH]1)C(=O)NC1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001299246628 1262961338 /nfs/dbraw/zinc/96/13/38/1262961338.db2.gz ZZYIEIBLRAUDPO-UPJWGTAASA-N 0 1 361.446 0.255 10 0 FCAEMN CCNC(=O)CCC(=O)N1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001299551413 1262966435 /nfs/dbraw/zinc/96/64/35/1262966435.db2.gz XOASOAPUUMEDMR-VFVRVIDISA-N 0 1 361.446 0.537 10 0 FCAEMN Cc1nn(-c2cccnc2)nc1C(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC001300004750 1262982402 /nfs/dbraw/zinc/98/24/02/1262982402.db2.gz QGAWEBNRSLGFEZ-GFCCVEGCSA-N 0 1 354.374 0.870 10 0 FCAEMN NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1Cc2cc(F)ccc2NC1=O ZINC001301016403 1262998947 /nfs/dbraw/zinc/99/89/47/1262998947.db2.gz QFSGQBCUPPVNGT-HIFRSBDPSA-N 0 1 362.405 0.393 10 0 FCAEMN O=C(CCSCc1nc2ccccc2c(=O)[nH]1)NCc1n[nH]c(CO)n1 ZINC001301191924 1263002661 /nfs/dbraw/zinc/00/26/61/1263002661.db2.gz KIEMYEYAJYFILC-UHFFFAOYSA-N 0 1 374.426 0.886 10 0 FCAEMN O=C(CCSCc1nc2ccccc2c(=O)[nH]1)NCc1nnc(CO)[nH]1 ZINC001301191924 1263002669 /nfs/dbraw/zinc/00/26/69/1263002669.db2.gz KIEMYEYAJYFILC-UHFFFAOYSA-N 0 1 374.426 0.886 10 0 FCAEMN CCOC(=O)[C@H](NC(=O)c1ccc(CN(C)C)nc1)[C@@H](O)c1cccnc1 ZINC001302365559 1263045623 /nfs/dbraw/zinc/04/56/23/1263045623.db2.gz ZBTYYFAZGOYECI-SJORKVTESA-N 0 1 372.425 0.933 10 0 FCAEMN O=C1CC[C@@H](c2nnc(N3CCCC3)n2CCCCN2CCOCC2)N1 ZINC001303098145 1263076148 /nfs/dbraw/zinc/07/61/48/1263076148.db2.gz QHUGODIVWAOUAO-HNNXBMFYSA-N 0 1 362.478 0.942 10 0 FCAEMN Cc1ncc(CCNC(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)s1 ZINC001478262961 1263124605 /nfs/dbraw/zinc/12/46/05/1263124605.db2.gz SEZFNGGTUDTLJZ-UHFFFAOYSA-N 0 1 358.449 0.156 10 0 FCAEMN CO[C@@](C)([C@@H](C)NC(=O)NCc1n[nH]c(CS(C)(=O)=O)n1)C1CC1 ZINC001478816381 1263146125 /nfs/dbraw/zinc/14/61/25/1263146125.db2.gz NDFQXXOYUXMQJP-OTYXRUKQSA-N 0 1 359.452 0.352 10 0 FCAEMN CS(=O)(=O)[C@H]1C[C@H](NC(=O)NCc2n[nH]c(-c3ccncc3)n2)C1 ZINC001478839055 1263147086 /nfs/dbraw/zinc/14/70/86/1263147086.db2.gz WNMBQLPNSYGHGM-XYPYZODXSA-N 0 1 350.404 0.242 10 0 FCAEMN C[C@@H](CNC(=O)NCc1n[nH]c(CS(C)(=O)=O)n1)CC(F)(F)F ZINC001478838060 1263147828 /nfs/dbraw/zinc/14/78/28/1263147828.db2.gz CSMFNBHCBTWLRY-SSDOTTSWSA-N 0 1 357.358 0.737 10 0 FCAEMN C[C@](CO)(NC(=O)NCCCN1CCC[C@H]1C(N)=O)C1CCCCC1 ZINC001478971860 1263156479 /nfs/dbraw/zinc/15/64/79/1263156479.db2.gz ZIWGNQARZJZSLJ-MAUKXSAKSA-N 0 1 354.495 0.957 10 0 FCAEMN CN(C)C(=O)OC1CCN(C(=O)NCCCN2CCC[C@H]2C(N)=O)CC1 ZINC001478969452 1263156848 /nfs/dbraw/zinc/15/68/48/1263156848.db2.gz BERFRXSGIJOBAO-AWEZNQCLSA-N 0 1 369.466 0.198 10 0 FCAEMN NC(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC001478969532 1263156870 /nfs/dbraw/zinc/15/68/70/1263156870.db2.gz CALMQDYZWSFWLQ-ABSDTBQOSA-N 0 1 374.485 0.718 10 0 FCAEMN COc1cncc(CN[C@@H]2CN(C(=O)[C@H](NC(C)=O)C(C)C)C[C@H]2C)n1 ZINC001479109370 1263168186 /nfs/dbraw/zinc/16/81/86/1263168186.db2.gz XGIBPBCNWSJFMF-SRCQZFHVSA-N 0 1 363.462 0.582 10 0 FCAEMN CC(=O)NC1CCC(N(C)C(=O)NCc2n[nH]c(=O)n2C2CC2)CC1 ZINC001479161911 1263173733 /nfs/dbraw/zinc/17/37/33/1263173733.db2.gz HXUOBIGTVXXRKC-UHFFFAOYSA-N 0 1 350.423 0.907 10 0 FCAEMN Cn1c(CNC(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)n[nH]c1=O ZINC001479163414 1263174731 /nfs/dbraw/zinc/17/47/31/1263174731.db2.gz KSLYAPMBFFLHBV-ZDUSSCGKSA-N 0 1 353.423 0.278 10 0 FCAEMN COCC1(C2CCC2)CN(C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)C1 ZINC001479429319 1263196388 /nfs/dbraw/zinc/19/63/88/1263196388.db2.gz SNUXNJQVTIPHBF-UHFFFAOYSA-N 0 1 371.463 0.307 10 0 FCAEMN C[C@@H]1COC2(CCC2)CN1C(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001479427974 1263196906 /nfs/dbraw/zinc/19/69/06/1263196906.db2.gz JGAKZZWURBMZNN-SNVBAGLBSA-N 0 1 357.436 0.202 10 0 FCAEMN CS(=O)(=O)CC(=O)NC[C@H]1CC[C@@H](NCc2cc3n(n2)CCC3)C1 ZINC001479438334 1263199048 /nfs/dbraw/zinc/19/90/48/1263199048.db2.gz WZBLRYKXUJUJDS-QWHCGFSZSA-N 0 1 354.476 0.248 10 0 FCAEMN C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)S2(=O)=O)[C@@H]1CN(C)CCN1C ZINC001479456657 1263206506 /nfs/dbraw/zinc/20/65/06/1263206506.db2.gz FKRWDFGKUJGPPH-OIYCOIKZSA-N 0 1 358.508 0.028 10 0 FCAEMN Cn1ccnc1COCC(=O)NC[C@H]1CC[C@@H](NCc2ncccn2)C1 ZINC001479457931 1263208256 /nfs/dbraw/zinc/20/82/56/1263208256.db2.gz QGRLZALOHWGBQO-LSDHHAIUSA-N 0 1 358.446 0.801 10 0 FCAEMN Cn1ccc(CN[C@@H]2CC[C@H](CNC(=O)C[C@H]3CCCS3(=O)=O)C2)n1 ZINC001479466769 1263210895 /nfs/dbraw/zinc/21/08/95/1263210895.db2.gz HDEZDXLSSQHMIH-SQWLQELKSA-N 0 1 368.503 0.762 10 0 FCAEMN Cn1cc(CN[C@@H]2CC[C@H](CNC(=O)C3(S(C)(=O)=O)CCC3)C2)nn1 ZINC001479481715 1263217569 /nfs/dbraw/zinc/21/75/69/1263217569.db2.gz KSODGGYMRYIKJM-QWHCGFSZSA-N 0 1 369.491 0.157 10 0 FCAEMN CNC(=O)C1(C(=O)NC[C@H]2CC[C@@H](N[C@H](C)c3nncn3C)C2)CCC1 ZINC001479488964 1263220464 /nfs/dbraw/zinc/22/04/64/1263220464.db2.gz HTEZIVUFQPLWNQ-HZSPNIEDSA-N 0 1 362.478 0.667 10 0 FCAEMN CCn1ncc(CN[C@@H]2CC[C@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)C2)n1 ZINC001479495267 1263223383 /nfs/dbraw/zinc/22/33/83/1263223383.db2.gz XKCLDPPUXVCPJI-MELADBBJSA-N 0 1 371.507 0.353 10 0 FCAEMN CCn1cc(CN[C@@H]2CC[C@H](CNC(=O)CS(=O)(=O)C(C)C)C2)nn1 ZINC001479495737 1263223798 /nfs/dbraw/zinc/22/37/98/1263223798.db2.gz PGJUVDHQJQNNEF-UONOGXRCSA-N 0 1 371.507 0.496 10 0 FCAEMN CC[C@@H](F)CN[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1c1cnn(C)c1 ZINC001479501290 1263224614 /nfs/dbraw/zinc/22/46/14/1263224614.db2.gz GVIVVIIWWWWBAQ-HZSPNIEDSA-N 0 1 361.425 0.738 10 0 FCAEMN CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1c1cnn(C)c1 ZINC001479509281 1263235875 /nfs/dbraw/zinc/23/58/75/1263235875.db2.gz BHKWOZPBJRUSSB-JKSUJKDBSA-N 0 1 358.446 0.011 10 0 FCAEMN CCO[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1CN[C@H](C)c1csnn1 ZINC001479530731 1263239381 /nfs/dbraw/zinc/23/93/81/1263239381.db2.gz GCCCGBHFIFCYCX-UXIGCNINSA-N 0 1 369.491 0.531 10 0 FCAEMN CCO[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1CNCc1ncc(C)o1 ZINC001479530833 1263239417 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CN1CCN(c2ccc(CNC(=O)C(=O)NC[C@]34C[C@H]3CCC4)cn2)CC1 ZINC001332599584 1266437482 /nfs/dbraw/zinc/43/74/82/1266437482.db2.gz YDMYHNFIHRDVOA-UZLBHIALSA-N 0 1 371.485 0.756 10 0 FCAEMN CC(=O)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH]ncc31)C2 ZINC001522275182 1266457919 /nfs/dbraw/zinc/45/79/19/1266457919.db2.gz SDYBPHGGTUMDOL-GFOFROLCSA-N 0 1 373.457 0.556 10 0 FCAEMN CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCCC(N)=O)C1CCC1 ZINC001522287350 1266467804 /nfs/dbraw/zinc/46/78/04/1266467804.db2.gz SKKCCRXTNPAYAQ-OAGGEKHMSA-N 0 1 364.490 0.765 10 0 FCAEMN Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2cnc[nH]2)C3)nn1C ZINC001522287756 1266467947 /nfs/dbraw/zinc/46/79/47/1266467947.db2.gz XFRWEKFNOZLUTP-FMKPAKJESA-N 0 1 356.430 0.946 10 0 FCAEMN CC[N@H+]1CCCN(C(=O)C(=O)NCc2ccc(-c3nncnn3)cc2)CC1 ZINC001332743869 1266471172 /nfs/dbraw/zinc/47/11/72/1266471172.db2.gz LRQIXUILWLHCLQ-UHFFFAOYSA-N 0 1 369.429 0.104 10 0 FCAEMN CCN1CCCN(C(=O)C(=O)NCc2ccc(-c3nncnn3)cc2)CC1 ZINC001332743869 1266471180 /nfs/dbraw/zinc/47/11/80/1266471180.db2.gz LRQIXUILWLHCLQ-UHFFFAOYSA-N 0 1 369.429 0.104 10 0 FCAEMN COc1ccc([C@@H](CNC(=O)C(=O)N2CC=C[C@H]2CO)N2CCCC2)cc1 ZINC001332774844 1266474522 /nfs/dbraw/zinc/47/45/22/1266474522.db2.gz JIZLRZJXIMFMEI-FUHWJXTLSA-N 0 1 373.453 0.708 10 0 FCAEMN NC(=O)NCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc3c1CCCC3)C2 ZINC001522301398 1266478564 /nfs/dbraw/zinc/47/85/64/1266478564.db2.gz WNZJUXXBCIXHDT-HONMWMINSA-N 0 1 374.445 0.209 10 0 FCAEMN Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCS(C)(=O)=O)C3)n[nH]1 ZINC001522305160 1266481415 /nfs/dbraw/zinc/48/14/15/1266481415.db2.gz NSWSQRNVKMXZJD-BZPMIXESSA-N 0 1 368.459 0.405 10 0 FCAEMN CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(C)[nH]1 ZINC001522311877 1266486137 /nfs/dbraw/zinc/48/61/37/1266486137.db2.gz AQZGNVCWPHIVTN-BYNQJWBRSA-N 0 1 362.434 0.417 10 0 FCAEMN C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NC(=O)N(C)C1)n1cccn1 ZINC001522340948 1266500394 /nfs/dbraw/zinc/50/03/94/1266500394.db2.gz BCRAHEGRQQSGOH-BHPKHCPMSA-N 0 1 372.429 0.835 10 0 FCAEMN COCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2c[nH]nn2)C3)CCC1 ZINC001522343140 1266503237 /nfs/dbraw/zinc/50/32/37/1266503237.db2.gz JXWGBYUGDILJLU-KFWWJZLASA-N 0 1 361.446 0.802 10 0 FCAEMN COCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2cnn[nH]2)C3)CCC1 ZINC001522343140 1266503248 /nfs/dbraw/zinc/50/32/48/1266503248.db2.gz JXWGBYUGDILJLU-KFWWJZLASA-N 0 1 361.446 0.802 10 0 FCAEMN COCCN(CCNC(=O)[C@]12C[C@H]1COC2)Cc1n[nH]c(C(C)(C)C)n1 ZINC001332913292 1266503801 /nfs/dbraw/zinc/50/38/01/1266503801.db2.gz DQRFUDXWPPDURH-UGSOOPFHSA-N 0 1 365.478 0.703 10 0 FCAEMN Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001333092762 1266535797 /nfs/dbraw/zinc/53/57/97/1266535797.db2.gz SMFAHJZDZHBJIN-IUODEOHRSA-N 0 1 363.462 0.275 10 0 FCAEMN CCOC1CC2(C[C@@H]2NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC001333173938 1266547874 /nfs/dbraw/zinc/54/78/74/1266547874.db2.gz PGLWXVAYJWWBNE-ZRUZRRJWSA-N 0 1 365.474 0.118 10 0 FCAEMN O=C(CCCn1ccnc1)N1C[C@@H]2CCC[C@]2(CNC(=O)c2ncn[nH]2)C1 ZINC001522409445 1266548910 /nfs/dbraw/zinc/54/89/10/1266548910.db2.gz NNXIGUNBXUNTDL-KSSFIOAISA-N 0 1 371.445 0.840 10 0 FCAEMN O=C(CCCn1ccnc1)N1C[C@@H]2CCC[C@]2(CNC(=O)c2nc[nH]n2)C1 ZINC001522409445 1266548916 /nfs/dbraw/zinc/54/89/16/1266548916.db2.gz NNXIGUNBXUNTDL-KSSFIOAISA-N 0 1 371.445 0.840 10 0 FCAEMN COc1ccc([C@@H]2C[C@H]2C(=O)NCCNC(=O)Cc2n[nH]c(C)n2)cc1 ZINC001522625968 1266566195 /nfs/dbraw/zinc/56/61/95/1266566195.db2.gz FHDHQWLTXUCLHW-LSDHHAIUSA-N 0 1 357.414 0.700 10 0 FCAEMN CC[C@@H]1CCO[C@@H]1C(=O)NCCNC(=O)c1nnc2ccccc2c1O ZINC001522725768 1266577522 /nfs/dbraw/zinc/57/75/22/1266577522.db2.gz MCGFNZYVZHUTLA-BZNIZROVSA-N 0 1 358.398 0.997 10 0 FCAEMN CO[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[C@@](C)(C(=O)[O-])C1 ZINC001333318074 1266577575 /nfs/dbraw/zinc/57/75/75/1266577575.db2.gz PNJWETMNSMXUST-QIIPPGSGSA-N 0 1 368.478 0.429 10 0 FCAEMN CO[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@](C)(C(=O)[O-])C1 ZINC001333318074 1266577584 /nfs/dbraw/zinc/57/75/84/1266577584.db2.gz PNJWETMNSMXUST-QIIPPGSGSA-N 0 1 368.478 0.429 10 0 FCAEMN Cc1nc(C(=O)N2CC(n3ccnn3)C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC001333429359 1266601070 /nfs/dbraw/zinc/60/10/70/1266601070.db2.gz GWEAYNRSPOHVFM-UHFFFAOYSA-N 0 1 368.283 0.001 10 0 FCAEMN C[C@@]12COC[C@H]1CN(C(=O)C(=O)N1CCC[C@@H](CN3CCOCC3)C1)C2 ZINC001333450391 1266605120 /nfs/dbraw/zinc/60/51/20/1266605120.db2.gz GIGLVKOKRUJFEQ-FRQCXROJSA-N 0 1 365.474 0.052 10 0 FCAEMN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)C[C@@H](C)C1O ZINC001333452786 1266605786 /nfs/dbraw/zinc/60/57/86/1266605786.db2.gz YZOFUVTXQMOWPG-OAGGEKHMSA-N 0 1 367.490 0.033 10 0 FCAEMN C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cc(C(F)(F)F)nn2C)CN1C1CC1 ZINC001333514747 1266618807 /nfs/dbraw/zinc/61/88/07/1266618807.db2.gz WYKAHBHCRKAWHY-NXEZZACHSA-N 0 1 373.379 0.797 10 0 FCAEMN C[C@H]1C[C@H](NC(=O)C(=O)NCc2cc(C(F)(F)F)nn2C)CN1C1CC1 ZINC001333514748 1266619061 /nfs/dbraw/zinc/61/90/61/1266619061.db2.gz WYKAHBHCRKAWHY-UWVGGRQHSA-N 0 1 373.379 0.797 10 0 FCAEMN C[C@H](CN1CCOCC1)C(=O)N(C)CCCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001523420669 1266627547 /nfs/dbraw/zinc/62/75/47/1266627547.db2.gz HHFXXDKIWWAIHM-HYVNUMGLSA-N 0 1 351.491 0.966 10 0 FCAEMN CCN1C[C@H](C(=O)N(C)CCCNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1=O ZINC001523528499 1266638579 /nfs/dbraw/zinc/63/85/79/1266638579.db2.gz WOVQJNFUPDXVAC-MGPQQGTHSA-N 0 1 361.446 0.346 10 0 FCAEMN CN(CCCNC(=O)[C@@]1(C)CCNC(=O)C1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001523527636 1266639071 /nfs/dbraw/zinc/63/90/71/1266639071.db2.gz MJAWLHCXPAOIQO-VFVRVIDISA-N 0 1 361.446 0.394 10 0 FCAEMN CN(CCCNC(=O)c1ccc2nncn2c1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001523595119 1266644929 /nfs/dbraw/zinc/64/49/29/1266644929.db2.gz JMGFYGYXVGJYOJ-ZIAGYGMSSA-N 0 1 367.413 0.834 10 0 FCAEMN CCC[C@H]1CNCCN1C(=O)C(=O)N1CCC(CO)(C(F)(F)F)CC1 ZINC001333610764 1266648556 /nfs/dbraw/zinc/64/85/56/1266648556.db2.gz JTMPNKBYZNIXKU-LBPRGKRZSA-N 0 1 365.396 0.750 10 0 FCAEMN CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC001333612468 1266649635 /nfs/dbraw/zinc/64/96/35/1266649635.db2.gz VPGATFCZYFHWJV-LBTNJELSSA-N 0 1 353.463 0.888 10 0 FCAEMN CC[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC001333612465 1266649781 /nfs/dbraw/zinc/64/97/81/1266649781.db2.gz VPGATFCZYFHWJV-DEYYWGMASA-N 0 1 353.463 0.888 10 0 FCAEMN O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC001333642888 1266663565 /nfs/dbraw/zinc/66/35/65/1266663565.db2.gz DAGLYEIMUQZYCW-VOAKCMCISA-N 0 1 355.460 0.052 10 0 FCAEMN O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC001333642888 1266663574 /nfs/dbraw/zinc/66/35/74/1266663574.db2.gz DAGLYEIMUQZYCW-VOAKCMCISA-N 0 1 355.460 0.052 10 0 FCAEMN CCN(CCCNC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001523890251 1266666040 /nfs/dbraw/zinc/66/60/40/1266666040.db2.gz OSMUCVSNFKFUGF-MGPQQGTHSA-N 0 1 361.446 0.346 10 0 FCAEMN CCN(CCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(=O)C1(C(=O)NC)CC1 ZINC001523899230 1266667530 /nfs/dbraw/zinc/66/75/30/1266667530.db2.gz WHWBFQBYLSLOLT-CHWSQXEVSA-N 0 1 361.446 0.394 10 0 FCAEMN CN(C)c1ccnc(CNC(=O)C(=O)NC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC001333684970 1266676508 /nfs/dbraw/zinc/67/65/08/1266676508.db2.gz JSAMTPFYSWHUEK-QWHCGFSZSA-N 0 1 374.363 0.990 10 0 FCAEMN COCc1nc(CNC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)n[nH]1 ZINC001333708337 1266684890 /nfs/dbraw/zinc/68/48/90/1266684890.db2.gz RRJSJZHGBTZQAH-UHFFFAOYSA-N 0 1 358.402 0.924 10 0 FCAEMN COCc1nnc(CNC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)[nH]1 ZINC001333708337 1266684900 /nfs/dbraw/zinc/68/49/00/1266684900.db2.gz RRJSJZHGBTZQAH-UHFFFAOYSA-N 0 1 358.402 0.924 10 0 FCAEMN CC(=O)N(C)CCCC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001524193031 1266691962 /nfs/dbraw/zinc/69/19/62/1266691962.db2.gz QKPBUXQHUURUJK-RBSFLKMASA-N 0 1 361.446 0.489 10 0 FCAEMN COCc1nc(CNC(=O)NCc2ccc3c(c2)CCS3(=O)=O)n[nH]1 ZINC001333742478 1266699253 /nfs/dbraw/zinc/69/92/53/1266699253.db2.gz SRZHLUVPPPAOAC-UHFFFAOYSA-N 0 1 365.415 0.280 10 0 FCAEMN COCc1nnc(CNC(=O)NCc2ccc3c(c2)CCS3(=O)=O)[nH]1 ZINC001333742478 1266699263 /nfs/dbraw/zinc/69/92/63/1266699263.db2.gz SRZHLUVPPPAOAC-UHFFFAOYSA-N 0 1 365.415 0.280 10 0 FCAEMN O=C(N[C@H](CNC(=O)[C@]12C[C@H]1COC2)C1CC1)c1cncc2nc[nH]c21 ZINC001524431679 1266706508 /nfs/dbraw/zinc/70/65/08/1266706508.db2.gz XACLBSDBDZJQOV-SRBZOADZSA-N 0 1 355.398 0.619 10 0 FCAEMN Cc1cnn(C)c1C(=O)NC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1 ZINC001524493516 1266711963 /nfs/dbraw/zinc/71/19/63/1266711963.db2.gz FSTNEOCEZUDZCJ-MGPQQGTHSA-N 0 1 356.430 0.880 10 0 FCAEMN COC(=O)C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCCN2CCOCC2)C1 ZINC001333786141 1266715664 /nfs/dbraw/zinc/71/56/64/1266715664.db2.gz GHGWIZYLJNGCLE-CABCVRRESA-N 0 1 369.462 0.063 10 0 FCAEMN Cc1nccc(CCC(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)n1 ZINC001524690990 1266721822 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1270783968 /nfs/dbraw/zinc/78/39/68/1270783968.db2.gz OMUZDUIBTLXHQE-CJNGLKHVSA-N 0 1 360.414 0.717 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)c2ccc3[nH]nnc3c2)CCN1C(=O)CNC(=O)C1CC1 ZINC001573488101 1270792213 /nfs/dbraw/zinc/79/22/13/1270792213.db2.gz NGMXTAKBKOHOBX-MFKMUULPSA-N 0 1 370.413 0.203 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CCN1C(=O)COCc1nccn1C ZINC001573561251 1270830399 /nfs/dbraw/zinc/83/03/99/1270830399.db2.gz BNONXIKZFDZCIP-QLFBSQMISA-N 0 1 363.462 0.137 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)CCn2cnnn2)CCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC001573580014 1270836267 /nfs/dbraw/zinc/83/62/67/1270836267.db2.gz GTOLJXRNDRCWBC-PWSUYJOCSA-N 0 1 358.406 0.083 10 0 FCAEMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](NC(=O)CCCCC(N)=O)[C@H]1C ZINC001573606241 1270842545 /nfs/dbraw/zinc/84/25/45/1270842545.db2.gz PJHADXCSKOEJGR-NFAWXSAZSA-N 0 1 363.462 0.740 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)CN(C)CCc2ccccc2)CCN1C(=O)c1cn[nH]n1 ZINC001573606369 1270842587 /nfs/dbraw/zinc/84/25/87/1270842587.db2.gz QPERRJTVQGMHGX-ZBFHGGJFSA-N 0 1 370.457 0.698 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)CCc2c[nH]nn2)CCN1C(=O)c1cccn2nccc12 ZINC001573610938 1270844093 /nfs/dbraw/zinc/84/40/93/1270844093.db2.gz YLINFLAIXFWKPL-DOMZBBRYSA-N 0 1 367.413 0.804 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)CCc2cnn[nH]2)CCN1C(=O)c1cccn2nccc12 ZINC001573610938 1270844098 /nfs/dbraw/zinc/84/40/98/1270844098.db2.gz YLINFLAIXFWKPL-DOMZBBRYSA-N 0 1 367.413 0.804 10 0 FCAEMN C[C@]12CN(C(=O)CCC(F)(F)F)C[C@H]1CN(C(=O)Cc1ncn[nH]1)C2 ZINC001573717677 1270857962 /nfs/dbraw/zinc/85/79/62/1270857962.db2.gz FGQAZWMRWITVFB-IINYFYTJSA-N 0 1 359.352 0.997 10 0 FCAEMN Cc1ncc(C(=O)N2C[C@@H]3CN(C(=O)C[C@H](C)NC(N)=O)C[C@]3(C)C2)[nH]1 ZINC001573727933 1270861696 /nfs/dbraw/zinc/86/16/96/1270861696.db2.gz POTWGDCUKKQBLY-QAGHZCBJSA-N 0 1 362.434 0.086 10 0 FCAEMN COCCCOCC(=O)N1C[C@H]2CN(C(=O)Cc3ccn[nH]3)C[C@@]2(C)C1 ZINC001573766640 1270875056 /nfs/dbraw/zinc/87/50/56/1270875056.db2.gz SKGWMESQZBCQIV-KDOFPFPSSA-N 0 1 364.446 0.312 10 0 FCAEMN CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)c2[nH]nc3ccc(C)cc32)C[C@H]1C ZINC001573773950 1270877078 /nfs/dbraw/zinc/87/70/78/1270877078.db2.gz FAYRBNYJLGUSGH-TZMCWYRMSA-N 0 1 371.441 0.832 10 0 FCAEMN C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]cnc3C2)C[C@H]1CNC(=O)Cn1cccn1 ZINC001573784574 1270881376 /nfs/dbraw/zinc/88/13/76/1270881376.db2.gz FVTJFSLDVZMAJY-QLFBSQMISA-N 0 1 370.457 0.622 10 0 FCAEMN Cc1cnn(CC(=O)N2C[C@@H](CNC(=O)CCc3cnc[nH]3)[C@H](C)C2)c1 ZINC001573856228 1270909428 /nfs/dbraw/zinc/90/94/28/1270909428.db2.gz SWYYORHOWIEMMS-HUUCEWRRSA-N 0 1 358.446 0.758 10 0 FCAEMN C[C@@H](CN1CCOCC1)C(=O)N1C[C@@H](CNC(=O)CCCF)[C@H](C)C1 ZINC001573892871 1270922312 /nfs/dbraw/zinc/92/23/12/1270922312.db2.gz RPCRQMVIMYYVGB-OWCLPIDISA-N 0 1 357.470 0.915 10 0 FCAEMN Cc1ncoc1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)CCc2nc[nH]n2)C1 ZINC001573959037 1270960182 /nfs/dbraw/zinc/96/01/82/1270960182.db2.gz HSWZTTSEZAOBKZ-DGCLKSJQSA-N 0 1 360.418 0.948 10 0 FCAEMN CNC(=O)CCCC(=O)NCC[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1C ZINC001573970437 1270964583 /nfs/dbraw/zinc/96/45/83/1270964583.db2.gz RYXPUEZWRPXAMD-ZIAGYGMSSA-N 0 1 363.462 0.469 10 0 FCAEMN Cc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1[O-] ZINC001573987726 1270976631 /nfs/dbraw/zinc/97/66/31/1270976631.db2.gz IYYDCGSONDPFAK-BNOWGMLFSA-N 0 1 363.462 0.590 10 0 FCAEMN C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001574011379 1270994060 /nfs/dbraw/zinc/99/40/60/1270994060.db2.gz SAGKKUGNXUVFQY-MGPQQGTHSA-N 0 1 361.446 0.079 10 0 FCAEMN CCn1ccc(CC(=O)N2C[C@@H](C)[C@H](CCNC(=O)c3cnn[nH]3)C2)n1 ZINC001574010742 1270994455 /nfs/dbraw/zinc/99/44/55/1270994455.db2.gz LNBIUZZPQRBVEU-CHWSQXEVSA-N 0 1 359.434 0.478 10 0 FCAEMN CC[C@@H](C(=O)NCC[C@@H]1CN(C(=O)Cc2nnc[n-]2)C[C@H]1C)[NH+](C)C ZINC001574018233 1270997982 /nfs/dbraw/zinc/99/79/82/1270997982.db2.gz LZHFYHSSLXUFLR-MCIONIFRSA-N 0 1 350.467 0.288 10 0 FCAEMN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CCNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001574050225 1271034028 /nfs/dbraw/zinc/03/40/28/1271034028.db2.gz OGGJYBIOZSYLCO-QJPTWQEYSA-N 0 1 361.446 0.234 10 0 FCAEMN C[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1CCNC(=O)C[C@H]1CCOC1 ZINC001574051675 1271038701 /nfs/dbraw/zinc/03/87/01/1271038701.db2.gz QYPBBATVNJAAPU-MGPQQGTHSA-N 0 1 364.446 0.767 10 0 FCAEMN O=C(CCc1nc[nH]n1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1cncnc1 ZINC001574209509 1271097600 /nfs/dbraw/zinc/09/76/00/1271097600.db2.gz LBWRZCYCQZKLEM-ILXRZTDVSA-N 0 1 369.429 0.408 10 0 FCAEMN Cn1nncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCCc1cn[nH]n1 ZINC001574230117 1271110749 /nfs/dbraw/zinc/11/07/49/1271110749.db2.gz GAKNDFCWQAVCSO-RDBSUJKOSA-N 0 1 372.433 0.208 10 0 FCAEMN CC(=O)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH]ncc31)C2 ZINC001574251629 1271119649 /nfs/dbraw/zinc/11/96/49/1271119649.db2.gz SDYBPHGGTUMDOL-OQUILHJVSA-N 0 1 373.457 0.556 10 0 FCAEMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1ccn(C)n1 ZINC001574254191 1271124595 /nfs/dbraw/zinc/12/45/95/1271124595.db2.gz YTGZLWUWAFRNTK-VZEFYGNVSA-N 0 1 370.457 0.813 10 0 FCAEMN Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2cn(C)nn2)C3)n[nH]1 ZINC001574290161 1271166788 /nfs/dbraw/zinc/16/67/88/1271166788.db2.gz OLHBHASOGAWQOF-IPYPFGDCSA-N 0 1 357.418 0.341 10 0 FCAEMN CCNC(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3c1CCC3)C2 ZINC001574294891 1271170424 /nfs/dbraw/zinc/17/04/24/1271170424.db2.gz KFTGALOZHZFGNA-SWHYSGLUSA-N 0 1 359.430 0.286 10 0 FCAEMN Cc1ncc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC(=O)N(C)C)C3)[nH]1 ZINC001574314967 1271192019 /nfs/dbraw/zinc/19/20/19/1271192019.db2.gz RCOCSBHBXTXINV-IPYPFGDCSA-N 0 1 361.446 0.838 10 0 FCAEMN O=C(CCc1ncccn1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1nc[nH]n1 ZINC001574342494 1271220787 /nfs/dbraw/zinc/22/07/87/1271220787.db2.gz CCNZQEPABJCUCL-RDBSUJKOSA-N 0 1 369.429 0.408 10 0 FCAEMN C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCCn2cncn2)C1 ZINC001574371454 1271237145 /nfs/dbraw/zinc/23/71/45/1271237145.db2.gz CIEAZBMTULVHHT-NCOADZHNSA-N 0 1 374.489 0.648 10 0 FCAEMN CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)c1ccco1 ZINC001574419126 1271271135 /nfs/dbraw/zinc/27/11/35/1271271135.db2.gz WHULRVOMSJFERW-KBXIAJHMSA-N 0 1 374.441 0.352 10 0 FCAEMN Cc1cc(CCC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CCc2nc[nH]n2)C3)no1 ZINC001574425566 1271273016 /nfs/dbraw/zinc/27/30/16/1271273016.db2.gz SSYLLLATEKNKTC-KFWWJZLASA-N 0 1 372.429 0.915 10 0 FCAEMN O=C(CCN1CCCC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1ccn[nH]1 ZINC001574461682 1271284922 /nfs/dbraw/zinc/28/49/22/1271284922.db2.gz JEFKHFQNBKAPIM-KFWWJZLASA-N 0 1 359.430 0.213 10 0 FCAEMN CC[C@H](C)[C@H](NC(C)=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn[nH]1)C2 ZINC001574514561 1271298976 /nfs/dbraw/zinc/29/89/76/1271298976.db2.gz KVWWVWKXJXZABY-GHYVICQNSA-N 0 1 362.434 0.217 10 0 FCAEMN CCCC(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1C)C2 ZINC001574511334 1271299006 /nfs/dbraw/zinc/29/90/06/1271299006.db2.gz UPPPQFWMBRCEFY-WCVJEAGWSA-N 0 1 364.490 0.635 10 0 FCAEMN CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[N@@H+](C)C(C)C ZINC001574548798 1271337093 /nfs/dbraw/zinc/33/70/93/1271337093.db2.gz ZZXFJPJDSFJHGG-TUVASFSCSA-N 0 1 367.494 0.412 10 0 FCAEMN C[C@H](NC(N)=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCC(C)CC1)C2 ZINC001574568538 1271368784 /nfs/dbraw/zinc/36/87/84/1271368784.db2.gz KSVKQQLKKZVCMM-YJNKXOJESA-N 0 1 365.478 0.023 10 0 FCAEMN CC(C)Cc1ncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C(N)=O)CC2)C3)[nH]1 ZINC001574575632 1271371235 /nfs/dbraw/zinc/37/12/35/1271371235.db2.gz DASKPOGSLCNEKF-BZPMIXESSA-N 0 1 373.457 0.735 10 0 FCAEMN Cn1ccnc1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]nn1)C2 ZINC001574598178 1271401514 /nfs/dbraw/zinc/40/15/14/1271401514.db2.gz XZZDXXOGKYBXBJ-KFWWJZLASA-N 0 1 371.445 0.352 10 0 FCAEMN Cn1ccnc1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cnn[nH]1)C2 ZINC001574598178 1271401521 /nfs/dbraw/zinc/40/15/21/1271401521.db2.gz XZZDXXOGKYBXBJ-KFWWJZLASA-N 0 1 371.445 0.352 10 0 FCAEMN CCC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCN2C)C1 ZINC001574631133 1271428855 /nfs/dbraw/zinc/42/88/55/1271428855.db2.gz PWMQHBQBTCQLJP-DEYYWGMASA-N 0 1 350.463 0.104 10 0 FCAEMN CC(=O)N(C)CC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C)C2 ZINC001574708605 1271499343 /nfs/dbraw/zinc/49/93/43/1271499343.db2.gz LJMROHPIJVJGRV-BXWFABGCSA-N 0 1 364.490 0.304 10 0 FCAEMN CN1CCC[C@@H]1C(=O)NCCCNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001575752980 1272416217 /nfs/dbraw/zinc/41/62/17/1272416217.db2.gz AHXSLMMDSBGKOV-UTUOFQBUSA-N 0 1 367.368 0.049 10 0 FCAEMN Cn1nccc1[C@@H]1C[C@H]1C(=O)NCCCNC(=O)C(C)(C)c1cnc[nH]1 ZINC001576003422 1272685006 /nfs/dbraw/zinc/68/50/06/1272685006.db2.gz QHHKOOPTTATJJE-CHWSQXEVSA-N 0 1 358.446 0.847 10 0 FCAEMN O=C(CCn1ccnn1)NC1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001576419114 1273246428 /nfs/dbraw/zinc/24/64/28/1273246428.db2.gz MHCLKWSFNWDHCM-ZIAGYGMSSA-N 0 1 357.418 0.302 10 0 FCAEMN CN(CCCNC(=O)c1ccc2nnnn2c1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001577190438 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ZINC001719079148 1287670540 /nfs/dbraw/zinc/67/05/40/1287670540.db2.gz BMKWSKUPEKVVJQ-HUUCEWRRSA-N 0 1 365.430 0.069 10 0 FCAEMN CCOCC(=O)N[C@@H]1CN(C(=O)c2occc2CN(C)C)C[C@H]1OC ZINC001683143807 1283870454 /nfs/dbraw/zinc/87/04/54/1283870454.db2.gz PCYMCHQASYLUAH-ZIAGYGMSSA-N 0 1 353.419 0.333 10 0 FCAEMN CO[C@@H]1CN(C(=O)C2(C3CC3)CCC2)C[C@H]1NC(=O)CCc1nc[nH]n1 ZINC001683187562 1283886847 /nfs/dbraw/zinc/88/68/47/1283886847.db2.gz NJKKOGGBONGLBM-ZIAGYGMSSA-N 0 1 361.446 0.660 10 0 FCAEMN CCN(CC)C[C@H](F)C(=O)N1C[C@@H](NC(=O)c2ncc[nH]2)[C@H](OC)C1 ZINC001683209032 1283893830 /nfs/dbraw/zinc/89/38/30/1283893830.db2.gz OSGLGDGUAYPWMI-YNEHKIRRSA-N 0 1 355.414 0.045 10 0 FCAEMN CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2nocc2C)C[C@H]1OC ZINC001683239068 1283903075 /nfs/dbraw/zinc/90/30/75/1283903075.db2.gz DGFYDIDFAHIEEU-MGPQQGTHSA-N 0 1 370.425 0.619 10 0 FCAEMN CCN(CC)C[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2nocc2C)C[C@H]1OC ZINC001683239067 1283903247 /nfs/dbraw/zinc/90/32/47/1283903247.db2.gz 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O=C(CCc1cccs1)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O ZINC001683464023 1283992775 /nfs/dbraw/zinc/99/27/75/1283992775.db2.gz QMLIHMFUDFZZHN-CABCVRRESA-N 0 1 351.472 0.464 10 0 FCAEMN CCn1ccc(C(=O)N2C[C@@H](NC(=O)CCc3cnc[nH]3)[C@@H](O)C2)c1C ZINC001683530291 1284021957 /nfs/dbraw/zinc/02/19/57/1284021957.db2.gz ZSTMIDVSTVIAFF-CVEARBPZSA-N 0 1 359.430 0.474 10 0 FCAEMN CO[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2c(Cl)[nH]nc2C2CC2)C[C@H]1O ZINC001719084364 1287685528 /nfs/dbraw/zinc/68/55/28/1287685528.db2.gz ADIUQGQSIYUJOV-JMJZKYOTSA-N 0 1 370.837 0.667 10 0 FCAEMN CCN(CC)C[C@@H](F)C(=O)N1C[C@H]2CCN(C(=O)c3cnon3)C[C@H]21 ZINC001683805429 1284109718 /nfs/dbraw/zinc/10/97/18/1284109718.db2.gz ZPMJXNDISSRLKR-YRGRVCCFSA-N 0 1 353.398 0.422 10 0 FCAEMN Cc1ccnc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CCc2nc[nH]n2)n1 ZINC001683947828 1284132787 /nfs/dbraw/zinc/13/27/87/1284132787.db2.gz YLYQLCMXQIHLRU-CHWSQXEVSA-N 0 1 357.418 0.693 10 0 FCAEMN Cc1ccc2[nH]nc(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)CC(N)=O)c2c1 ZINC001683943320 1284133401 /nfs/dbraw/zinc/13/34/01/1284133401.db2.gz VKJWZUQVMKJODA-ZIAGYGMSSA-N 0 1 357.414 0.904 10 0 FCAEMN C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncn[nH]1 ZINC001684023096 1284142180 /nfs/dbraw/zinc/14/21/80/1284142180.db2.gz GBSDTIWQYYHXCW-JHJVBQTASA-N 0 1 358.402 0.824 10 0 FCAEMN C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1nc[nH]n1 ZINC001684023096 1284142182 /nfs/dbraw/zinc/14/21/82/1284142182.db2.gz GBSDTIWQYYHXCW-JHJVBQTASA-N 0 1 358.402 0.824 10 0 FCAEMN CSCc1n[nH]c(CNC(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)n1 ZINC001684174189 1284144453 /nfs/dbraw/zinc/14/44/53/1284144453.db2.gz ANTLOEFETYEXLY-SECBINFHSA-N 0 1 364.435 0.241 10 0 FCAEMN CSCc1nnc(CNC(=O)N[C@@H]2CCN(c3cc(=O)[nH]cn3)C2)[nH]1 ZINC001684174189 1284144460 /nfs/dbraw/zinc/14/44/60/1284144460.db2.gz ANTLOEFETYEXLY-SECBINFHSA-N 0 1 364.435 0.241 10 0 FCAEMN O=C(NCc1n[nH]c(C2CCOCC2)n1)N[C@@H]1CCN(C2CCC2)C1=O ZINC001684322074 1284154065 /nfs/dbraw/zinc/15/40/65/1284154065.db2.gz HZFXEGNADHUEAO-CYBMUJFWSA-N 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C[C@H](CN1CCOCC1)C(=O)N(C)CCN1C(=O)c2ccccc2C1=O ZINC000273117024 488632711 /nfs/dbraw/zinc/63/27/11/488632711.db2.gz SAHVRPRKWGEZGI-CQSZACIVSA-N 0 1 359.426 0.709 10 0 FCAEMN C[C@@H](CN1CCOCC1)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000273127732 488633394 /nfs/dbraw/zinc/63/33/94/488633394.db2.gz UKTJXJFGLWZEQW-LBPRGKRZSA-N 0 1 361.489 0.111 10 0 FCAEMN C[C@H](CN1CCOCC1)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000273127731 488633453 /nfs/dbraw/zinc/63/34/53/488633453.db2.gz UKTJXJFGLWZEQW-GFCCVEGCSA-N 0 1 361.489 0.111 10 0 FCAEMN CSc1n[nH]c(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)n1 ZINC000263885208 488633810 /nfs/dbraw/zinc/63/38/10/488633810.db2.gz VYDQWYCGLUCWHO-ZETCQYMHSA-N 0 1 359.408 0.971 10 0 FCAEMN CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000129811746 488633933 /nfs/dbraw/zinc/63/39/33/488633933.db2.gz ZNVLGDHQEVHJFU-CVEARBPZSA-N 0 1 353.488 0.557 10 0 FCAEMN CS(=O)(=O)N1CCC[C@H](CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000131586341 488647164 /nfs/dbraw/zinc/64/71/64/488647164.db2.gz KYLPMBZTJIMFCR-GXTWGEPZSA-N 0 1 350.506 0.310 10 0 FCAEMN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)C[C@H]1CCCO1 ZINC000263924572 488636325 /nfs/dbraw/zinc/63/63/25/488636325.db2.gz QDDJLFKNUXOVPU-UKRRQHHQSA-N 0 1 369.487 0.492 10 0 FCAEMN CN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000273253721 488640563 /nfs/dbraw/zinc/64/05/63/488640563.db2.gz AVJHWXSDDPOMEN-AWEZNQCLSA-N 0 1 359.430 0.361 10 0 FCAEMN COc1ccc(F)c(NC(=O)C(=O)N[C@H](C)CN2CCN(C)CC2)c1 ZINC000130820535 488640734 /nfs/dbraw/zinc/64/07/34/488640734.db2.gz HPBSRYAMJQKLCE-GFCCVEGCSA-N 0 1 352.410 0.525 10 0 FCAEMN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000273427927 488650233 /nfs/dbraw/zinc/65/02/33/488650233.db2.gz ZRTSYLJJNAUUFM-WDEREUQCSA-N 0 1 363.418 0.277 10 0 FCAEMN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000264248526 488658097 /nfs/dbraw/zinc/65/80/97/488658097.db2.gz ZVIBJGDFKVGWKA-CQSZACIVSA-N 0 1 356.382 0.407 10 0 FCAEMN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000264248525 488658186 /nfs/dbraw/zinc/65/81/86/488658186.db2.gz ZVIBJGDFKVGWKA-AWEZNQCLSA-N 0 1 356.382 0.407 10 0 FCAEMN Cc1cc(N2CCN(C(=O)[C@@H]3CCCc4[nH]ncc43)CC2)n2ncnc2n1 ZINC000134490903 488667224 /nfs/dbraw/zinc/66/72/24/488667224.db2.gz CSPXGTLPVKSMKZ-CYBMUJFWSA-N 0 1 366.429 0.925 10 0 FCAEMN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000134496642 488667236 /nfs/dbraw/zinc/66/72/36/488667236.db2.gz GXWTWAAUVXCZFS-GJZGRUSLSA-N 0 1 359.474 0.985 10 0 FCAEMN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000134496665 488667485 /nfs/dbraw/zinc/66/74/85/488667485.db2.gz GXWTWAAUVXCZFS-CABCVRRESA-N 0 1 359.474 0.985 10 0 FCAEMN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC(N(C)C)C2)C1 ZINC000134909625 488670076 /nfs/dbraw/zinc/67/00/76/488670076.db2.gz GVRFKSMVPLYCLF-ZDUSSCGKSA-N 0 1 370.475 0.465 10 0 FCAEMN CN(Cc1ccccc1)C1CN(C(=O)c2ccc(S(N)(=O)=O)cn2)C1 ZINC000570103096 491216425 /nfs/dbraw/zinc/21/64/25/491216425.db2.gz OSQMAKPJPNMBGP-UHFFFAOYSA-N 0 1 360.439 0.685 10 0 FCAEMN Cc1nc(CN2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)CC2)n[nH]1 ZINC000135399111 488672300 /nfs/dbraw/zinc/67/23/00/488672300.db2.gz HBDVPXHSNLIJCO-UHFFFAOYSA-N 0 1 356.430 0.638 10 0 FCAEMN Cc1nc(CN2CCN(C(=O)c3cn(-c4ccccc4)nn3)CC2)n[nH]1 ZINC000135408903 488672859 /nfs/dbraw/zinc/67/28/59/488672859.db2.gz WUXPUBHUTYZULY-UHFFFAOYSA-N 0 1 352.402 0.652 10 0 FCAEMN C[C@@H]1OCC[C@H]1S(=O)(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000135512877 488673369 /nfs/dbraw/zinc/67/33/69/488673369.db2.gz YXXHWKDBXZYWBB-FUHWJXTLSA-N 0 1 367.515 0.901 10 0 FCAEMN Cc1csc(C2(NCCn3cnc4c3c(=O)n(C)c(=O)n4C)CCC2)n1 ZINC000274126776 488684894 /nfs/dbraw/zinc/68/48/94/488684894.db2.gz XUIQPJSFAOSEFL-UHFFFAOYSA-N 0 1 374.470 0.868 10 0 FCAEMN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCCN(C)C2)c1 ZINC000141359568 488687892 /nfs/dbraw/zinc/68/78/92/488687892.db2.gz SAVNODGXCBXIFR-WFASDCNBSA-N 0 1 362.430 0.809 10 0 FCAEMN C[C@H]1CN(Cc2ccc(CNC(=O)CN3CC(=O)NC3=O)cc2)C[C@H](C)O1 ZINC000264618484 488691360 /nfs/dbraw/zinc/69/13/60/488691360.db2.gz BBRDAVPWLONFAN-KBPBESRZSA-N 0 1 374.441 0.464 10 0 FCAEMN COCCN1CCCN(C(=O)CCNC(=O)OCC(F)(F)F)CC1 ZINC000149112129 488697571 /nfs/dbraw/zinc/69/75/71/488697571.db2.gz OOEMXGXUCGCHAG-UHFFFAOYSA-N 0 1 355.357 0.846 10 0 FCAEMN CCCCn1nccc1NC(=O)C(=O)NCCCCN1CCOCC1 ZINC000151183633 488702477 /nfs/dbraw/zinc/70/24/77/488702477.db2.gz HCVAZGMMWJBVJR-UHFFFAOYSA-N 0 1 351.451 0.850 10 0 FCAEMN CC(C)CN1CCO[C@@H](CNC(=O)CN(CCO)Cc2cccnc2)C1 ZINC000152319849 488716154 /nfs/dbraw/zinc/71/61/54/488716154.db2.gz IMDQPGOGOFDYLY-SFHVURJKSA-N 0 1 364.490 0.349 10 0 FCAEMN Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCN2C)n(Cc2ccccn2)n1 ZINC000153238058 488728906 /nfs/dbraw/zinc/72/89/06/488728906.db2.gz WLSKPHPMQSHMKY-HNNXBMFYSA-N 0 1 356.430 0.784 10 0 FCAEMN CC(C)c1nnnn1CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000154277347 488740488 /nfs/dbraw/zinc/74/04/88/488740488.db2.gz YFMWBXBKBHWCSE-SJORKVTESA-N 0 1 372.473 0.796 10 0 FCAEMN CC(C)C[C@@H](CO)N(C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000274898073 488741871 /nfs/dbraw/zinc/74/18/71/488741871.db2.gz RPOBKWGIKQDYTN-HNNXBMFYSA-N 0 1 371.503 0.332 10 0 FCAEMN CC[C@H](CO)N1CCN(C(=O)CN(CCc2ccccc2)C(C)=O)CC1 ZINC000154707249 488746329 /nfs/dbraw/zinc/74/63/29/488746329.db2.gz HUTJMMDMROPWJY-LJQANCHMSA-N 0 1 361.486 0.993 10 0 FCAEMN O=C(CN1CCN(C2CCOCC2)CC1)NCCN1CCc2ccccc21 ZINC000267026617 488754554 /nfs/dbraw/zinc/75/45/54/488754554.db2.gz LQDYXMPNQYVAOK-UHFFFAOYSA-N 0 1 372.513 0.962 10 0 FCAEMN Cc1sc2ncn(CC(=O)N3CCC[C@H](c4nn[nH]n4)C3)c(=O)c2c1C ZINC000155506653 488756161 /nfs/dbraw/zinc/75/61/61/488756161.db2.gz PLFNVNVBZPSCLJ-NSHDSACASA-N 0 1 373.442 0.994 10 0 FCAEMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000155617348 488757369 /nfs/dbraw/zinc/75/73/69/488757369.db2.gz IYWPVAPGIMFZNI-ZIAGYGMSSA-N 0 1 357.462 0.892 10 0 FCAEMN CCc1c(C(=O)N(C)[C@@H]2CCCN(C)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000156247269 488763717 /nfs/dbraw/zinc/76/37/17/488763717.db2.gz UJWFBLCUXXZUAJ-GFCCVEGCSA-N 0 1 373.457 0.361 10 0 FCAEMN CCN1CCN(c2ccc(CNC(=O)c3ccc(OC)nn3)cn2)CC1 ZINC000156325655 488764104 /nfs/dbraw/zinc/76/41/04/488764104.db2.gz UZRYMRRECMLMOO-UHFFFAOYSA-N 0 1 356.430 0.952 10 0 FCAEMN C[C@@H]1CC[C@@](CO)(N(C)CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000275143272 488766017 /nfs/dbraw/zinc/76/60/17/488766017.db2.gz NKGFDSMQJQNNEB-BMLIUANNSA-N 0 1 350.419 0.532 10 0 FCAEMN CNC(=O)c1cc(S(=O)(=O)NC[C@]2(N(C)C)CCSC2)cn1C ZINC000267167380 488766216 /nfs/dbraw/zinc/76/62/16/488766216.db2.gz STORUUHTIILLOW-CQSZACIVSA-N 0 1 360.505 0.100 10 0 FCAEMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000156836621 488767551 /nfs/dbraw/zinc/76/75/51/488767551.db2.gz HCUVYROSJOTJBO-AWEZNQCLSA-N 0 1 358.320 0.708 10 0 FCAEMN Cc1nc(CN2CCN(C(=O)c3ncn(-c4ccccc4)n3)CC2)n[nH]1 ZINC000157134293 488769709 /nfs/dbraw/zinc/76/97/09/488769709.db2.gz FJOYRYCKMYMUOZ-UHFFFAOYSA-N 0 1 352.402 0.652 10 0 FCAEMN C[C@@H](Cn1cncn1)NC(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000158271522 488776904 /nfs/dbraw/zinc/77/69/04/488776904.db2.gz OEPJZTLVCMUDIU-AWEZNQCLSA-N 0 1 358.450 0.313 10 0 FCAEMN CN1CC[C@@H](N2CCC(NC(=O)c3ccc(N4CCC4)nc3)CC2)C1=O ZINC000570165262 491221621 /nfs/dbraw/zinc/22/16/21/491221621.db2.gz QVNUNZDEXMXHGX-MRXNPFEDSA-N 0 1 357.458 0.717 10 0 FCAEMN C[C@H]1COCC[C@@H]1NC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000278016797 488796140 /nfs/dbraw/zinc/79/61/40/488796140.db2.gz FCSRGBHQATWHMA-YJBOKZPZSA-N 0 1 374.485 0.914 10 0 FCAEMN C[C@H](N[C@@H](C)[C@@H]1COc2ccccc21)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000163001404 488806197 /nfs/dbraw/zinc/80/61/97/488806197.db2.gz OLPUMFORAKATTI-GVXVVHGQSA-N 0 1 372.425 0.392 10 0 FCAEMN COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NC[C@@H]1CCCN1C ZINC000267627142 488806745 /nfs/dbraw/zinc/80/67/45/488806745.db2.gz DDQNWRDARNAITC-ZDUSSCGKSA-N 0 1 362.430 0.546 10 0 FCAEMN CCN1CCN(CC(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)CC1 ZINC000163841335 488809526 /nfs/dbraw/zinc/80/95/26/488809526.db2.gz NMAQSQGJFHDJLK-HNNXBMFYSA-N 0 1 360.458 0.554 10 0 FCAEMN C[C@@H](NC(N)=O)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000171223373 488821168 /nfs/dbraw/zinc/82/11/68/488821168.db2.gz NKUWDTACRNMJDO-SSDOTTSWSA-N 0 1 367.207 0.907 10 0 FCAEMN C[C@@H](NC(N)=O)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000171223373 488821169 /nfs/dbraw/zinc/82/11/69/488821169.db2.gz NKUWDTACRNMJDO-SSDOTTSWSA-N 0 1 367.207 0.907 10 0 FCAEMN CN1CCN(c2cc(C(=O)NCCc3cccc(C(N)=O)c3)ccn2)CC1 ZINC000171803120 488827115 /nfs/dbraw/zinc/82/71/15/488827115.db2.gz SNEIDOORCBTZKI-UHFFFAOYSA-N 0 1 367.453 0.905 10 0 FCAEMN CN1CCN(c2cc(C(=O)N3CCC[C@H]3C(=O)NC3CC3)ccn2)CC1 ZINC000171798287 488827174 /nfs/dbraw/zinc/82/71/74/488827174.db2.gz MBFIKSUUHPZJKX-INIZCTEOSA-N 0 1 357.458 0.717 10 0 FCAEMN CN1CCN(c2ncccc2CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171904928 488828470 /nfs/dbraw/zinc/82/84/70/488828470.db2.gz YJZJGDZRWPCASC-KRWDZBQOSA-N 0 1 358.490 0.823 10 0 FCAEMN CC(C)N1CCO[C@@H](CN2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000171986622 488829584 /nfs/dbraw/zinc/82/95/84/488829584.db2.gz HQOHBLRKPKMFAS-HNNXBMFYSA-N 0 1 359.478 0.595 10 0 FCAEMN COC(=O)c1cccc(CS(=O)(=O)N[C@]2(C(=O)OC)CCOC2)c1 ZINC000268018158 488834585 /nfs/dbraw/zinc/83/45/85/488834585.db2.gz BEYRVFRZTNYEEO-OAHLLOKOSA-N 0 1 357.384 0.225 10 0 FCAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000172544009 488835131 /nfs/dbraw/zinc/83/51/31/488835131.db2.gz JXMVZSWSBYMCQG-LLVKDONJSA-N 0 1 361.381 0.340 10 0 FCAEMN Cn1cnnc1-c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000173219734 488841640 /nfs/dbraw/zinc/84/16/40/488841640.db2.gz TXGQBSPEQJIIOQ-MRXNPFEDSA-N 0 1 366.425 0.893 10 0 FCAEMN C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CCN1C ZINC000173272105 488841822 /nfs/dbraw/zinc/84/18/22/488841822.db2.gz UXIYXZDBJGRPNN-CHWSQXEVSA-N 0 1 366.487 0.980 10 0 FCAEMN CCc1nc([C@@H]2CN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)CCO2)n[nH]1 ZINC000173581555 488843653 /nfs/dbraw/zinc/84/36/53/488843653.db2.gz SWTABVHNUQSJRA-KBPBESRZSA-N 0 1 361.446 0.916 10 0 FCAEMN Cc1nc([C@H]2CN(C(=O)Cc3c(C)nc4cc(=O)[nH]n4c3C)CCO2)n[nH]1 ZINC000173600638 488843967 /nfs/dbraw/zinc/84/39/67/488843967.db2.gz RENUMXRDCPJPBP-CYBMUJFWSA-N 0 1 371.401 0.209 10 0 FCAEMN Cc1nc([C@@H]2CN(CCNS(=O)(=O)c3ccccc3)CCO2)n[nH]1 ZINC000173656993 488844246 /nfs/dbraw/zinc/84/42/46/488844246.db2.gz SMJJOPQNCPAQDG-AWEZNQCLSA-N 0 1 351.432 0.465 10 0 FCAEMN CCc1nc([C@@H]2CN(C(=O)CNC(=O)c3ccc(F)cc3)CCO2)n[nH]1 ZINC000173756447 488845088 /nfs/dbraw/zinc/84/50/88/488845088.db2.gz IMLZPZZECJAIML-ZDUSSCGKSA-N 0 1 361.377 0.836 10 0 FCAEMN Cn1cc(S(=O)(=O)NCCN2CC[C@@H](CNc3ccccn3)C2)cn1 ZINC000173779623 488845168 /nfs/dbraw/zinc/84/51/68/488845168.db2.gz ZVWSFGRTNPJBRR-AWEZNQCLSA-N 0 1 364.475 0.527 10 0 FCAEMN C[C@H]1CN(C(=O)c2ccnc(N3CCN(C)CC3)c2)C[C@H]1N1CCOCC1 ZINC000173846125 488845795 /nfs/dbraw/zinc/84/57/95/488845795.db2.gz GMAWXDDJNDCGGT-FUHWJXTLSA-N 0 1 373.501 0.626 10 0 FCAEMN CC[C@H]1CN(C(=O)C2CCN(c3cnccn3)CC2)CCN1C[C@@H](C)O ZINC000174339281 488848946 /nfs/dbraw/zinc/84/89/46/488848946.db2.gz MWPHTRTXTSZMJL-WBVHZDCISA-N 0 1 361.490 0.997 10 0 FCAEMN CCc1nsc(N2CCCN(C[C@H](O)CN3CCCC3=O)CC2)n1 ZINC000174514508 488849436 /nfs/dbraw/zinc/84/94/36/488849436.db2.gz HQCYEWRHBFNPDC-ZDUSSCGKSA-N 0 1 353.492 0.596 10 0 FCAEMN Nc1c(=O)[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174670291 488850795 /nfs/dbraw/zinc/85/07/95/488850795.db2.gz LOYGLEYUOFWNFP-ZDUSSCGKSA-N 0 1 357.414 0.430 10 0 FCAEMN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000174830645 488851709 /nfs/dbraw/zinc/85/17/09/488851709.db2.gz RJGPOUXBJNBQSZ-YOEHRIQHSA-N 0 1 360.458 0.776 10 0 FCAEMN Cc1cccc2nc(CCC(=O)N3CCN(S(C)(=O)=O)CC3)[nH]c21 ZINC000175161620 488853159 /nfs/dbraw/zinc/85/31/59/488853159.db2.gz FPWFRBQAEOKONX-UHFFFAOYSA-N 0 1 350.444 0.908 10 0 FCAEMN CN1CCO[C@@H](CNC(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000175413063 488854096 /nfs/dbraw/zinc/85/40/96/488854096.db2.gz MHJOOFVNZLHPDX-KRWDZBQOSA-N 0 1 368.522 0.899 10 0 FCAEMN Cc1nc([C@@H]2CN(C(=O)N[C@H]3CCc4nc(C(C)C)nn4C3)CCO2)n[nH]1 ZINC000175560799 488854459 /nfs/dbraw/zinc/85/44/59/488854459.db2.gz FDJBDGLPZGQMLQ-STQMWFEESA-N 0 1 374.449 0.926 10 0 FCAEMN C[C@H]1CN(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)C[C@H]1N1CCOCC1 ZINC000175649559 488854799 /nfs/dbraw/zinc/85/47/99/488854799.db2.gz ZGRIFCLCTRTUIM-WNRNVDISSA-N 0 1 368.522 0.848 10 0 FCAEMN CN1C(=O)C[C@H](C(=O)N2CCN(C3CCOCC3)CC2)[C@@H]1c1cccnc1 ZINC000175854581 488856269 /nfs/dbraw/zinc/85/62/69/488856269.db2.gz FSQUBTYBBOUQRR-HKUYNNGSSA-N 0 1 372.469 0.924 10 0 FCAEMN CC(C)CN1CCO[C@H](CNC(=O)CN(C)C[C@H](O)C(F)(F)F)C1 ZINC000181241974 488863084 /nfs/dbraw/zinc/86/30/84/488863084.db2.gz GDFWQCSIUDPDIK-OLZOCXBDSA-N 0 1 355.401 0.314 10 0 FCAEMN CN1CC[C@H](NC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)[C@@H]1c1ccccc1 ZINC000288353475 488973769 /nfs/dbraw/zinc/97/37/69/488973769.db2.gz GLYWJFZDYUUAGK-DOXZYTNZSA-N 0 1 358.442 0.272 10 0 FCAEMN Cn1cc([C@H]2C[N@H+]([C@H]3CCCN(c4cnn(C)c4)C3=O)C[C@@H]2C(N)=O)cn1 ZINC000329147190 488974359 /nfs/dbraw/zinc/97/43/59/488974359.db2.gz XQESVTPXJQYJGH-PMPSAXMXSA-N 0 1 371.445 0.900 10 0 FCAEMN Cn1cc([C@H]2CN([C@H]3CCCN(c4cnn(C)c4)C3=O)C[C@@H]2C(N)=O)cn1 ZINC000329147190 488974361 /nfs/dbraw/zinc/97/43/61/488974361.db2.gz XQESVTPXJQYJGH-PMPSAXMXSA-N 0 1 371.445 0.900 10 0 FCAEMN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000288394552 488976990 /nfs/dbraw/zinc/97/69/90/488976990.db2.gz JZSWFYXXLFZRJS-RZQQEMMASA-N 0 1 372.469 0.533 10 0 FCAEMN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000288394537 488977283 /nfs/dbraw/zinc/97/72/83/488977283.db2.gz JZSWFYXXLFZRJS-GQIGUUNPSA-N 0 1 372.469 0.533 10 0 FCAEMN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000288394544 488977289 /nfs/dbraw/zinc/97/72/89/488977289.db2.gz JZSWFYXXLFZRJS-JXXFODFXSA-N 0 1 372.469 0.533 10 0 FCAEMN C[C@@H]1CN(S(=O)(=O)N[C@H](c2nnc[nH]2)c2ccccc2)C[C@@H](C)O1 ZINC000364606720 488977510 /nfs/dbraw/zinc/97/75/10/488977510.db2.gz KJVWQQJGRPOSEN-BZPMIXESSA-N 0 1 351.432 0.838 10 0 FCAEMN CNC(=O)C(C)(C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000288427315 488980119 /nfs/dbraw/zinc/98/01/19/488980119.db2.gz MYDHDLSGMZHTPJ-HUUCEWRRSA-N 0 1 360.458 0.436 10 0 FCAEMN CNC(=O)C(C)(C)CNC(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000288427315 488980123 /nfs/dbraw/zinc/98/01/23/488980123.db2.gz MYDHDLSGMZHTPJ-HUUCEWRRSA-N 0 1 360.458 0.436 10 0 FCAEMN CN1CC[C@H](NC(=O)C(=O)N2CCCC3(C2)OCCO3)[C@H]1c1ccccc1 ZINC000288480202 488984701 /nfs/dbraw/zinc/98/47/01/488984701.db2.gz RSSVXFNGSDNFIU-DLBZAZTESA-N 0 1 373.453 0.914 10 0 FCAEMN Cc1ccn(C[C@@](C)(O)C(=O)NCCCCN2CCOCC2)c(=O)c1 ZINC000280292508 488995481 /nfs/dbraw/zinc/99/54/81/488995481.db2.gz WMMNOLRVOUOBAC-GOSISDBHSA-N 0 1 351.447 0.136 10 0 FCAEMN C[C@@H]1OCC[C@@]12CN(C(=O)c1ccnc(N3CCN(C)CC3)c1)CCO2 ZINC000364800564 489003489 /nfs/dbraw/zinc/00/34/89/489003489.db2.gz OEQDBAKBUQDHRT-HNAYVOBHSA-N 0 1 360.458 0.853 10 0 FCAEMN CC1(C)C(=O)NC(=O)N1CC(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000364942564 489021285 /nfs/dbraw/zinc/02/12/85/489021285.db2.gz IIZZIQPHXOAHCF-UHFFFAOYSA-N 0 1 356.386 0.461 10 0 FCAEMN Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCCCCN1CCOCC1 ZINC000280977467 489045253 /nfs/dbraw/zinc/04/52/53/489045253.db2.gz ZOVVXVVPSSJVRJ-GOSISDBHSA-N 0 1 351.447 0.136 10 0 FCAEMN CCc1n[nH]c(C2CCN(CC(=O)NC(=O)N[C@@H](C)COC)CC2)n1 ZINC000365230645 489052245 /nfs/dbraw/zinc/05/22/45/489052245.db2.gz XHHUQZZDPBMZPV-NSHDSACASA-N 0 1 352.439 0.407 10 0 FCAEMN CC(C)CN1CCO[C@H](CNC(=O)Cn2ccc3ccncc3c2=O)C1 ZINC000281303395 489065809 /nfs/dbraw/zinc/06/58/09/489065809.db2.gz ZFTLNYBPCVFAPB-MRXNPFEDSA-N 0 1 358.442 0.870 10 0 FCAEMN COc1cncc(NC(=O)C(=O)NCc2ccc(F)c(CN(C)C)c2)n1 ZINC000563252036 491232005 /nfs/dbraw/zinc/23/20/05/491232005.db2.gz YPUIXZUKUOSSQZ-UHFFFAOYSA-N 0 1 361.377 0.941 10 0 FCAEMN CC[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CCN1C[C@H](C)O ZINC000330231225 489082806 /nfs/dbraw/zinc/08/28/06/489082806.db2.gz WTNPCOYNGUZDBT-KLZNWCGWSA-N 0 1 350.463 0.801 10 0 FCAEMN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]1CN(C)C ZINC000281674921 489096482 /nfs/dbraw/zinc/09/64/82/489096482.db2.gz BYHMBCWFYZFEPT-LBPRGKRZSA-N 0 1 361.489 0.309 10 0 FCAEMN CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000330396502 489097580 /nfs/dbraw/zinc/09/75/80/489097580.db2.gz BAWVKMAPHGWLGH-CYBMUJFWSA-N 0 1 350.463 0.457 10 0 FCAEMN CN(C)c1ccncc1C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000365691217 489100745 /nfs/dbraw/zinc/10/07/45/489100745.db2.gz YDFDLZGLLVBECH-UHFFFAOYSA-N 0 1 355.464 0.102 10 0 FCAEMN CC(C)Oc1ccc(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)nn1 ZINC000330569091 489117731 /nfs/dbraw/zinc/11/77/31/489117731.db2.gz NUKWGIXJMVDFRR-CYBMUJFWSA-N 0 1 351.451 1.573 10 0 FCAEMN C[C@@H]1CCCCN1CCNS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000330646821 489127236 /nfs/dbraw/zinc/12/72/36/489127236.db2.gz MQXZHLFYJWFBHG-CYBMUJFWSA-N 0 1 356.492 0.880 10 0 FCAEMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000366092147 489143970 /nfs/dbraw/zinc/14/39/70/489143970.db2.gz RAVLOEPYYOHVAO-ZIAGYGMSSA-N 0 1 361.446 0.547 10 0 FCAEMN COCCNC(=O)[C@H](CC(C)C)NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000366122185 489147648 /nfs/dbraw/zinc/14/76/48/489147648.db2.gz CIFYKPAABFOWMR-WFASDCNBSA-N 0 1 351.451 0.744 10 0 FCAEMN COC(=O)C[C@@H]1COCCN1C(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000366216826 489159256 /nfs/dbraw/zinc/15/92/56/489159256.db2.gz NABLUTPZNQWSOC-OAHLLOKOSA-N 0 1 362.430 0.238 10 0 FCAEMN COC[C@](C)(CCO)NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000282421765 489162033 /nfs/dbraw/zinc/16/20/33/489162033.db2.gz SSLJDSLZZMZMSJ-INIZCTEOSA-N 0 1 351.428 0.589 10 0 FCAEMN C[C@@H]1CN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)CC[N@@H+]1CCO ZINC000331183898 489183127 /nfs/dbraw/zinc/18/31/27/489183127.db2.gz SGTDGSDDVONTBF-LLVKDONJSA-N 0 1 359.423 0.336 10 0 FCAEMN C[C@@H]1CN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)CC[N@H+]1CCO ZINC000331183898 489183129 /nfs/dbraw/zinc/18/31/29/489183129.db2.gz SGTDGSDDVONTBF-LLVKDONJSA-N 0 1 359.423 0.336 10 0 FCAEMN COc1cc(C(=O)N2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)cc2c1OCCO2 ZINC000283005348 489206153 /nfs/dbraw/zinc/20/61/53/489206153.db2.gz VWVARZWQXZFLIO-SNVBAGLBSA-N 0 1 360.370 0.898 10 0 FCAEMN O=C(c1cc(N2CCNC2=O)ccc1F)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000283016986 489206622 /nfs/dbraw/zinc/20/66/22/489206622.db2.gz XAIAJEWEVNDYJZ-SNVBAGLBSA-N 0 1 374.376 0.787 10 0 FCAEMN CN(CCCN(C)C(=O)C(=O)N(C)CC1(CO)CC1)Cc1ccco1 ZINC000297700261 489226176 /nfs/dbraw/zinc/22/61/76/489226176.db2.gz MDXSOCCXLFLFRT-UHFFFAOYSA-N 0 1 351.447 0.791 10 0 FCAEMN C[C@@H](O)[C@H]1CCN(C(=O)C(=O)NCc2ccc(F)c(CN(C)C)c2)C1 ZINC000283206023 489227364 /nfs/dbraw/zinc/22/73/64/489227364.db2.gz NGUSXQQKDMTWCW-OCCSQVGLSA-N 0 1 351.422 0.733 10 0 FCAEMN CN(CC1(CO)CC1)C(=O)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000297740064 489232671 /nfs/dbraw/zinc/23/26/71/489232671.db2.gz HTOFYIQIIACYMS-UHFFFAOYSA-N 0 1 359.470 0.952 10 0 FCAEMN CC(=O)N(CCc1ccccc1)CC(=O)Nc1nn[nH]c1C(=O)NC1CC1 ZINC000297736801 489232889 /nfs/dbraw/zinc/23/28/89/489232889.db2.gz MWNQSIPIGMTIEZ-UHFFFAOYSA-N 0 1 370.413 0.727 10 0 FCAEMN CCNC(=O)N1CC[C@@H](NC(=O)N2CCC(CN3CCOCC3)CC2)C1 ZINC000369422370 489233932 /nfs/dbraw/zinc/23/39/32/489233932.db2.gz XKMLKRIOFQSLKJ-MRXNPFEDSA-N 0 1 367.494 0.544 10 0 FCAEMN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1nn[nH]c1C(=O)NC1CC1 ZINC000297744039 489234011 /nfs/dbraw/zinc/23/40/11/489234011.db2.gz NPVBBPCGDLNUDE-UHFFFAOYSA-N 0 1 357.296 0.859 10 0 FCAEMN CCN1C[C@@H](C)N(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C[C@H]1C ZINC000332829936 489236724 /nfs/dbraw/zinc/23/67/24/489236724.db2.gz PYBBYJLUEHYLLC-VMUDFCTBSA-N 0 1 362.478 0.816 10 0 FCAEMN CN(C)C(=O)CCN1CCN(Cc2c(Cl)ncnc2N(C)C)CC1 ZINC000283282626 489238461 /nfs/dbraw/zinc/23/84/61/489238461.db2.gz XIWZQTPLLBQUSO-UHFFFAOYSA-N 0 1 354.886 0.792 10 0 FCAEMN 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CN(CCC1CCOCC1)C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000535565969 490501733 /nfs/dbraw/zinc/50/17/33/490501733.db2.gz DWKUNNSOSUGBRF-UHFFFAOYSA-N 0 1 373.413 0.875 10 0 FCAEMN C[C@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)C1(S(C)(=O)=O)CC1 ZINC000510255608 490502240 /nfs/dbraw/zinc/50/22/40/490502240.db2.gz AGWTZESKKLADQT-AWEZNQCLSA-N 0 1 374.551 0.667 10 0 FCAEMN CC1(C)[C@H](NC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)[C@@H]2CCO[C@@H]21 ZINC000535565441 490502357 /nfs/dbraw/zinc/50/23/57/490502357.db2.gz ARLNUBRALDIUMM-FZZIBODNSA-N 0 1 371.397 0.530 10 0 FCAEMN CSC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000535571912 490503921 /nfs/dbraw/zinc/50/39/21/490503921.db2.gz ICVQFXMHGKXYSW-JTQLQIEISA-N 0 1 361.427 0.954 10 0 FCAEMN COc1ccc(OCCN(C)C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000423023488 490522741 /nfs/dbraw/zinc/52/27/41/490522741.db2.gz JTMQXXYWHGEKOH-GASCZTMLSA-N 0 1 361.442 0.885 10 0 FCAEMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000510537747 490525187 /nfs/dbraw/zinc/52/51/87/490525187.db2.gz JQFVUZZLALATAD-ZETCQYMHSA-N 0 1 368.458 0.174 10 0 FCAEMN C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)CCN1 ZINC000423033547 490526264 /nfs/dbraw/zinc/52/62/64/490526264.db2.gz XBXTWJIQFAKWPY-OAHLLOKOSA-N 0 1 372.469 0.362 10 0 FCAEMN CCOC1CC(N(C)C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)C1 ZINC000510595083 490526963 /nfs/dbraw/zinc/52/69/63/490526963.db2.gz WSRPETKYVOPALZ-UHFFFAOYSA-N 0 1 359.386 0.626 10 0 FCAEMN C[C@H]1CN(C)C[C@H](C)N1C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000535981169 490544342 /nfs/dbraw/zinc/54/43/42/490544342.db2.gz UDBHAOARYSUKFC-STQMWFEESA-N 0 1 358.450 0.287 10 0 FCAEMN COc1ccc2c(c1)[nH]cc(C(=O)N1CC[C@@H](S(N)(=O)=O)C1)c2=O ZINC000535984745 490544468 /nfs/dbraw/zinc/54/44/68/490544468.db2.gz MHLYXHOPAAIOQX-SNVBAGLBSA-N 0 1 351.384 0.040 10 0 FCAEMN O=C(CC(F)(F)F)NC[C@H]1CCCN(CC(=O)N2CCNC2=O)C1 ZINC000510906227 490547829 /nfs/dbraw/zinc/54/78/29/490547829.db2.gz WULQEDLPOGJVHU-SNVBAGLBSA-N 0 1 350.341 0.319 10 0 FCAEMN CN(C)S(=O)(=O)CCN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510927934 490549095 /nfs/dbraw/zinc/54/90/95/490549095.db2.gz AHCSYCYLPLJHHQ-NSHDSACASA-N 0 1 359.414 0.658 10 0 FCAEMN C[C@H](CNC(=O)c1ccc(-n2cnnn2)cc1Cl)N1CCN(C)CC1 ZINC000511049938 490556955 /nfs/dbraw/zinc/55/69/55/490556955.db2.gz UTZDWZRRENEZNZ-GFCCVEGCSA-N 0 1 363.853 0.681 10 0 FCAEMN CN(C[C@H]1CCCCO1)C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000536340846 490569263 /nfs/dbraw/zinc/56/92/63/490569263.db2.gz IMQSOHVMCYEUPV-LLVKDONJSA-N 0 1 359.386 0.628 10 0 FCAEMN CCC[C@@H]1CN(C(=O)N[C@H]2CCN(C(=O)NCC)C2)CCN1CCOC ZINC000501099014 490578887 /nfs/dbraw/zinc/57/88/87/490578887.db2.gz JCHOSTMBWMYAEE-JKSUJKDBSA-N 0 1 369.510 0.933 10 0 FCAEMN Cc1nc(CN2CCN(C(=O)c3cn(Cc4cccs4)nn3)CC2)n[nH]1 ZINC000525197299 490585068 /nfs/dbraw/zinc/58/50/68/490585068.db2.gz NPGCSSIDEYZZOA-UHFFFAOYSA-N 0 1 372.458 0.772 10 0 FCAEMN COCCO[C@@H]1COCC[C@@H]1NC(=O)NCCCCN1CCOCC1 ZINC000486164903 490594690 /nfs/dbraw/zinc/59/46/90/490594690.db2.gz IDPSKSMAUKGIFK-JKSUJKDBSA-N 0 1 359.467 0.219 10 0 FCAEMN Cc1cc(CN(C)C(=O)C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)no1 ZINC000549800980 490607776 /nfs/dbraw/zinc/60/77/76/490607776.db2.gz ZGHCBJSFYUZCIW-MRXNPFEDSA-N 0 1 365.478 0.330 10 0 FCAEMN C[C@H]1C[C@@H](NS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CCN1C ZINC000501522214 490611123 /nfs/dbraw/zinc/61/11/23/490611123.db2.gz OPAYMVICUHLEMH-ZFWWWQNUSA-N 0 1 351.472 0.913 10 0 FCAEMN COCCN1CC[C@@H](NC(=O)C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000550124879 490628535 /nfs/dbraw/zinc/62/85/35/490628535.db2.gz IPWIJOBUKHSDDC-GXTWGEPZSA-N 0 1 367.421 0.848 10 0 FCAEMN O=C1C[C@@H](Cc2ccc(NS(=O)(=O)c3cnc4n3CCC4)cc2)C(=O)N1 ZINC000525866551 490643074 /nfs/dbraw/zinc/64/30/74/490643074.db2.gz VTNPNQOFSGPPBX-GFCCVEGCSA-N 0 1 374.422 0.835 10 0 FCAEMN COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC000564974854 491342278 /nfs/dbraw/zinc/34/22/78/491342278.db2.gz IDNQPVFIRXCRGE-UONOGXRCSA-N 0 1 369.462 0.125 10 0 FCAEMN C[C@H]1CN(S(=O)(=O)NCCc2cc(-c3ccncc3)[nH]n2)C[C@H](C)O1 ZINC000525894525 490647948 /nfs/dbraw/zinc/64/79/48/490647948.db2.gz AOYSKIDPRYSFJY-STQMWFEESA-N 0 1 365.459 0.958 10 0 FCAEMN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)CCCS(C)(=O)=O)n[nH]1 ZINC000486645863 490655887 /nfs/dbraw/zinc/65/58/87/490655887.db2.gz MWULKRJFMICRPG-VHSXEESVSA-N 0 1 352.482 0.733 10 0 FCAEMN COc1ccc(S(=O)(=O)NC[C@@H]2CCCN2C)cc1C(=O)N(C)C ZINC000537175827 490657582 /nfs/dbraw/zinc/65/75/82/490657582.db2.gz BYQHDDBPOIFSIF-LBPRGKRZSA-N 0 1 355.460 0.770 10 0 FCAEMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000564985022 491343241 /nfs/dbraw/zinc/34/32/41/491343241.db2.gz DHFRAPRQUPBAID-CBBWQLFWSA-N 0 1 353.463 0.792 10 0 FCAEMN COCCN1CCC[C@@H]1CNC(=O)C(=O)NCCc1ccc(OC)cc1 ZINC000550315393 490659554 /nfs/dbraw/zinc/65/95/54/490659554.db2.gz PYVPGQULYRBEAF-MRXNPFEDSA-N 0 1 363.458 0.581 10 0 FCAEMN CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000512249372 490667787 /nfs/dbraw/zinc/66/77/87/490667787.db2.gz NQPBBYWCWKDQPA-CABCVRRESA-N 0 1 371.459 0.138 10 0 FCAEMN CC1=CCN(CCNC(=O)C(=O)NCCn2cnc3ccccc32)CC1 ZINC000550434932 490669423 /nfs/dbraw/zinc/66/94/23/490669423.db2.gz BHKWWHBDIMZDDG-UHFFFAOYSA-N 0 1 355.442 0.921 10 0 FCAEMN CCN(CC)CCS(=O)(=O)N1CSC[C@H]1C(=O)N(C)C(C)C ZINC000550435227 490669814 /nfs/dbraw/zinc/66/98/14/490669814.db2.gz HSROSHQRYMPLJR-ZDUSSCGKSA-N 0 1 351.538 0.900 10 0 FCAEMN C[C@@H](NC(=O)c1cccc(N2CCN(C)CC2)n1)C(=O)NCc1ccco1 ZINC000502031506 490670543 /nfs/dbraw/zinc/67/05/43/490670543.db2.gz LJVDNCKIAGPMTK-CQSZACIVSA-N 0 1 371.441 0.861 10 0 FCAEMN CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@H](C)CN2CCOCC2)CC1 ZINC000502087385 490675543 /nfs/dbraw/zinc/67/55/43/490675543.db2.gz DYMZBQCAUWLNTG-CVEARBPZSA-N 0 1 354.495 0.014 10 0 FCAEMN CN1CCN(c2cccc(C(=O)NCC3(S(C)(=O)=O)CCC3)n2)CC1 ZINC000527014309 490692465 /nfs/dbraw/zinc/69/24/65/490692465.db2.gz HNQRVOMYTVYTMT-UHFFFAOYSA-N 0 1 366.487 0.531 10 0 FCAEMN Cc1nc(CN2CCN(C(=O)c3cnc(OCC4CC4)cn3)CC2)n[nH]1 ZINC000512722259 490695603 /nfs/dbraw/zinc/69/56/03/490695603.db2.gz CVEWIQARUYIJNC-UHFFFAOYSA-N 0 1 357.418 0.650 10 0 FCAEMN COc1cc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)nn1C ZINC000572090497 491347681 /nfs/dbraw/zinc/34/76/81/491347681.db2.gz NLUXXKDZUHPLMQ-NSHDSACASA-N 0 1 373.417 0.769 10 0 FCAEMN C[C@H](N[C@H](c1nnc[nH]1)c1ccccc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000527128477 490701478 /nfs/dbraw/zinc/70/14/78/490701478.db2.gz JUHRXLFHJZLGIV-QEJZJMRPSA-N 0 1 356.430 0.596 10 0 FCAEMN COC(=O)CN(CCN1CCN(C)CC1)C(=O)C[C@@H](O)CC(C)(C)C ZINC000487656910 490723029 /nfs/dbraw/zinc/72/30/29/490723029.db2.gz WFDDXFLLLJVCSI-OAHLLOKOSA-N 0 1 357.495 0.423 10 0 FCAEMN COc1cc(N2CCN(C(=O)c3cc(F)cc4nn[nH]c43)CC2)ncn1 ZINC000502833768 490723969 /nfs/dbraw/zinc/72/39/69/490723969.db2.gz VAQUSYNCROUUCB-UHFFFAOYSA-N 0 1 357.349 0.858 10 0 FCAEMN O=C(c1ccccc1)N1C[C@H](CN=c2ncnc3[nH][nH]cc2-3)[N@H+]2CC[C@H]1C2 ZINC000538293139 490725084 /nfs/dbraw/zinc/72/50/84/490725084.db2.gz GONCOKFMEAEQKI-GJZGRUSLSA-N 0 1 363.425 0.737 10 0 FCAEMN CN1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)cn2)[C@H]1c1ccccc1 ZINC000538423724 490733077 /nfs/dbraw/zinc/73/30/77/490733077.db2.gz KNFCMZJFNGGTNY-GDBMZVCRSA-N 0 1 360.439 0.904 10 0 FCAEMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000513718874 490744015 /nfs/dbraw/zinc/74/40/15/490744015.db2.gz PZCDMOSLXWLHFV-IAQYHMDHSA-N 0 1 370.409 0.888 10 0 FCAEMN CCCN(C(=O)c1ccnc(N2CCN(C)CC2)c1)[C@H]1CC(=O)N(C)C1=O ZINC000513928604 490755106 /nfs/dbraw/zinc/75/51/06/490755106.db2.gz WKDBLRVUHLWNCW-HNNXBMFYSA-N 0 1 373.457 0.443 10 0 FCAEMN CNC(=O)NC[C@H]1CN(C(=O)NCc2nc3ccc(C)cc3[nH]2)CCO1 ZINC000527787849 490759206 /nfs/dbraw/zinc/75/92/06/490759206.db2.gz RVPSSTAMEXRGDB-LBPRGKRZSA-N 0 1 360.418 0.711 10 0 FCAEMN COCCn1cc(CNC(=O)N2CCC(C)(N3CCOCC3)CC2)cn1 ZINC000527911919 490767107 /nfs/dbraw/zinc/76/71/07/490767107.db2.gz UAPSIIZBWGHIFU-UHFFFAOYSA-N 0 1 365.478 0.926 10 0 FCAEMN CC(C)CN1CCO[C@@H](CNC(=O)CN2CCO[C@@H](C(=O)C3CC3)C2)C1 ZINC000514225033 490767250 /nfs/dbraw/zinc/76/72/50/490767250.db2.gz KONYEIOFEKEXPB-DLBZAZTESA-N 0 1 367.490 0.139 10 0 FCAEMN CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cn1C ZINC000539239612 490772695 /nfs/dbraw/zinc/77/26/95/490772695.db2.gz PXLPGHQUGZJERW-UHFFFAOYSA-N 0 1 350.400 0.627 10 0 FCAEMN Cc1csc(S(=O)(=O)N2CCN(C(=O)N3CCNCC3)CC2)c1 ZINC000528047815 490773251 /nfs/dbraw/zinc/77/32/51/490773251.db2.gz OFNMVUIQHPOPIE-UHFFFAOYSA-N 0 1 358.489 0.388 10 0 FCAEMN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000539327049 490777317 /nfs/dbraw/zinc/77/73/17/490777317.db2.gz RSZCCAIFFUYBEY-OLZOCXBDSA-N 0 1 370.479 0.500 10 0 FCAEMN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000539327048 490777532 /nfs/dbraw/zinc/77/75/32/490777532.db2.gz RSZCCAIFFUYBEY-CHWSQXEVSA-N 0 1 370.479 0.500 10 0 FCAEMN Cn1nnc2ccc(C(=O)N3CCC[C@@H](C(=O)N4CCNCC4)C3)cc21 ZINC000514672345 490780106 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/nfs/dbraw/zinc/33/37/70/859333770.db2.gz FKBJSKKPQHAYCE-AGIUHOORSA-N 0 1 361.433 0.840 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)CCN1CCNC(=O)C1CC1 ZINC001264170796 859341836 /nfs/dbraw/zinc/34/18/36/859341836.db2.gz MXWQLSNJMRVSFR-SNPRPXQTSA-N 0 1 350.463 0.103 10 0 FCAEMN CCCn1c(C)nnc1CN[C@@H]1CC[C@H](CNC(=O)CNC(C)=O)C1 ZINC001264449156 859354077 /nfs/dbraw/zinc/35/40/77/859354077.db2.gz YIFVZNGAKSWXIZ-LSDHHAIUSA-N 0 1 350.467 0.507 10 0 FCAEMN CCc1nnc([C@@H](C)N[C@@H]2CC[C@H](CNC(=O)CCNC(N)=O)C2)[nH]1 ZINC001264489755 859366212 /nfs/dbraw/zinc/36/62/12/859366212.db2.gz OICGBEOMACCCJD-GRYCIOLGSA-N 0 1 351.455 0.361 10 0 FCAEMN CC(C)C[C@H](C(N)=O)C(=O)NC[C@H]1CC[C@@H](NCc2cnn(C)n2)C1 ZINC001264494349 859367071 /nfs/dbraw/zinc/36/70/71/859367071.db2.gz VOVLJBFDMZGKOU-GZBFAFLISA-N 0 1 350.467 0.337 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCN1CC(=O)NC(C)(C)C ZINC001264600279 859390678 /nfs/dbraw/zinc/39/06/78/859390678.db2.gz KSHUUQZJWDQEBS-UONOGXRCSA-N 0 1 350.467 0.552 10 0 FCAEMN CCC(=O)N[C@H](C)C(=O)N[C@H]1CCN(CC(=O)N2CCCC2)[C@@H]1CC ZINC001264608646 859397163 /nfs/dbraw/zinc/39/71/63/859397163.db2.gz MUFXMCCQHKSQSC-QLFBSQMISA-N 0 1 352.479 0.493 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)C2CC(OC)C2)CCN1CCN(C)S(C)(=O)=O ZINC001264611642 859398752 /nfs/dbraw/zinc/39/87/52/859398752.db2.gz PJURZBORRWKOOT-PFSRBDOWSA-N 0 1 361.508 0.272 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)c2cncn2C)CCN1CCCS(=O)(=O)N(C)C ZINC001264612735 859399738 /nfs/dbraw/zinc/39/97/38/859399738.db2.gz JBIUKJZCENXIAC-UONOGXRCSA-N 0 1 371.507 0.284 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCN1CC(=O)N(CC)CC ZINC001264615443 859400529 /nfs/dbraw/zinc/40/05/29/859400529.db2.gz XMGMUAQLFZHBBB-QWHCGFSZSA-N 0 1 351.451 0.577 10 0 FCAEMN CCCNC(=O)CN1CC[C@@H]2CN(C(=O)CCOCC(F)F)C[C@@H]2C1 ZINC001264643613 859411086 /nfs/dbraw/zinc/41/10/86/859411086.db2.gz HXPCACAQJROROQ-KGLIPLIRSA-N 0 1 361.433 0.965 10 0 FCAEMN COCCCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccsn3)C[C@@H]2C1 ZINC001264646106 859412403 /nfs/dbraw/zinc/41/24/03/859412403.db2.gz BFBYATWQODWDIC-KGLIPLIRSA-N 0 1 366.487 0.690 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCO2)CCN1CCCS(=O)(=O)N(C)C ZINC001264689882 859420255 /nfs/dbraw/zinc/42/02/55/859420255.db2.gz IVMJXQBLVYKPHT-KFWWJZLASA-N 0 1 361.508 0.416 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)c2ccon2)CCN1C[C@H](O)COCC(F)(F)F ZINC001264690220 859421081 /nfs/dbraw/zinc/42/10/81/859421081.db2.gz WQZXUGJVUMAWFJ-VWYCJHECSA-N 0 1 351.325 0.807 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)CCc2c[nH]nn2)CCN1CC1(CS(C)(=O)=O)CC1 ZINC001264720146 859438142 /nfs/dbraw/zinc/43/81/42/859438142.db2.gz CSKAXIZEWUFJEN-OCCSQVGLSA-N 0 1 369.491 0.141 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)CCc2cnn[nH]2)CCN1CC1(CS(C)(=O)=O)CC1 ZINC001264720146 859438146 /nfs/dbraw/zinc/43/81/46/859438146.db2.gz CSKAXIZEWUFJEN-OCCSQVGLSA-N 0 1 369.491 0.141 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)CNC(=O)c2ccsc2)CCN1CCn1cncn1 ZINC001264732260 859444608 /nfs/dbraw/zinc/44/46/08/859444608.db2.gz COUPFSLLQUFRRR-OCCSQVGLSA-N 0 1 362.459 0.349 10 0 FCAEMN C[C@@H](C(=O)NC(N)=O)N(CCCNC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001265177450 859453193 /nfs/dbraw/zinc/45/31/93/859453193.db2.gz SWTFDJRGLDVQQP-TUKIKUTGSA-N 0 1 350.463 0.977 10 0 FCAEMN CCS(=O)(=O)NCCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001265303370 859457468 /nfs/dbraw/zinc/45/74/68/859457468.db2.gz HBRRLQOYRIMITK-RBSFLKMASA-N 0 1 369.487 0.903 10 0 FCAEMN Cc1nn2c(nc(CN[C@@H](C)CNC(=O)[C@]34C[C@H]3COC4)cc2=O)s1 ZINC001265776871 859465658 /nfs/dbraw/zinc/46/56/58/859465658.db2.gz BRQGFWRBZSILIL-QEKSWQHZSA-N 0 1 363.443 0.090 10 0 FCAEMN C[C@H](CCNC(=O)[C@]12C[C@H]1COC2)[NH2+]CCC[N-]C(=O)C(F)(F)F ZINC001266146901 859472424 /nfs/dbraw/zinc/47/24/24/859472424.db2.gz SYWMAMSDSOSLOI-SUNKGSAMSA-N 0 1 351.369 0.576 10 0 FCAEMN CCS(=O)(=O)NCCCN1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001266331398 859479190 /nfs/dbraw/zinc/47/91/90/859479190.db2.gz PLYINDRYOGGTCL-YHUYYLMFSA-N 0 1 373.519 0.321 10 0 FCAEMN CCN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)Cc1n[nH]c(C(C)C)n1 ZINC001266417759 859481926 /nfs/dbraw/zinc/48/19/26/859481926.db2.gz GYSCWWDHITVFKF-OLZOCXBDSA-N 0 1 350.467 0.768 10 0 FCAEMN CCCNC(=O)CN1CCC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001266760888 859489790 /nfs/dbraw/zinc/48/97/90/859489790.db2.gz OIDQSWJHXNVPMO-ZNMIVQPWSA-N 0 1 352.479 0.242 10 0 FCAEMN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCCN2CCOCC(F)F)O1 ZINC001266856376 859492116 /nfs/dbraw/zinc/49/21/16/859492116.db2.gz PRGDNQKHTIVCLF-FRRDWIJNSA-N 0 1 363.405 0.272 10 0 FCAEMN Cc1ccc(Cl)cc1NC(=O)CNCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001266836753 859492651 /nfs/dbraw/zinc/49/26/51/859492651.db2.gz WUFGSRXSABXPMV-OLZOCXBDSA-N 0 1 366.849 0.756 10 0 FCAEMN CS(=O)(=O)CCCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001267268704 859501904 /nfs/dbraw/zinc/50/19/04/859501904.db2.gz DLZIVUOIGNJWNJ-BFHYXJOUSA-N 0 1 354.476 0.529 10 0 FCAEMN NC(=O)CN1CC[C@@H](CNC(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC001267295843 859503773 /nfs/dbraw/zinc/50/37/73/859503773.db2.gz BWUVRLSLTAJYOU-SDDRHHMPSA-N 0 1 351.369 0.800 10 0 FCAEMN O=C(NCCN(C[C@H]1CCS(=O)(=O)C1)C1CC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001267327184 859504294 /nfs/dbraw/zinc/50/42/94/859504294.db2.gz DPWMSROGYFDMBR-BPLDGKMQSA-N 0 1 366.487 0.529 10 0 FCAEMN CN(CCNCC(=O)N(C)c1nccs1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001267385952 859506081 /nfs/dbraw/zinc/50/60/81/859506081.db2.gz NHHHGBHJTBAJSV-VXGBXAGGSA-N 0 1 362.459 0.681 10 0 FCAEMN CCS(=O)(=O)CCCN(C)C[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001267582982 859510827 /nfs/dbraw/zinc/51/08/27/859510827.db2.gz MTQMQUBIUXEAQO-VYDXJSESSA-N 0 1 358.504 0.628 10 0 FCAEMN CN(CC(=O)N(C)C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001267665093 859513261 /nfs/dbraw/zinc/51/32/61/859513261.db2.gz CFAVBHHCEPYAFW-BHYGNILZSA-N 0 1 351.491 0.918 10 0 FCAEMN CC(C)OCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001267709695 859514823 /nfs/dbraw/zinc/51/48/23/859514823.db2.gz AGDHRZLLOLTYDX-JONQDZQNSA-N 0 1 353.463 0.510 10 0 FCAEMN CN(C)S(=O)(=O)CCCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001267772429 859516400 /nfs/dbraw/zinc/51/64/00/859516400.db2.gz CYANHOLEVIOOQD-HRCADAONSA-N 0 1 357.520 0.847 10 0 FCAEMN CC[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)NCc1cc(OC)ccn1 ZINC001267819623 859517362 /nfs/dbraw/zinc/51/73/62/859517362.db2.gz GKQMUPMCDGSLSI-TUKIKUTGSA-N 0 1 350.419 0.108 10 0 FCAEMN Cc1ncc(CNCC2(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCCC2)o1 ZINC001267841692 859518356 /nfs/dbraw/zinc/51/83/56/859518356.db2.gz XEBHZDQAYXFLRT-UONOGXRCSA-N 0 1 350.419 0.535 10 0 FCAEMN CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](O)CNCc1c(C)nn(C)c1Cl ZINC001268307512 859528901 /nfs/dbraw/zinc/52/89/01/859528901.db2.gz HBDRIDNYASWZLF-DYEKYZERSA-N 0 1 358.870 0.764 10 0 FCAEMN O=C(CNC/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)Nc1nccs1 ZINC001268551984 859535068 /nfs/dbraw/zinc/53/50/68/859535068.db2.gz HROMSHIKXXRPNF-JZIZGNRHSA-N 0 1 360.443 0.870 10 0 FCAEMN NC(=O)[C@@H]1CC[C@H](C(=O)NC/C=C/CNCc2cnc(Cl)s2)O1 ZINC001268590170 859535790 /nfs/dbraw/zinc/53/57/90/859535790.db2.gz CQTIYTPGCXELKG-ATOIVCMTSA-N 0 1 358.851 0.591 10 0 FCAEMN CS(=O)(=O)N1CC[C@@H](CN2CC(CNC(=O)C[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC001268854453 859543067 /nfs/dbraw/zinc/54/30/67/859543067.db2.gz NUIIMCCKPJOGGF-JQFCIGGWSA-N 0 1 369.531 0.752 10 0 FCAEMN CC(=O)NCCOCCN1CC[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001269147404 859546228 /nfs/dbraw/zinc/54/62/28/859546228.db2.gz VAZCSBYNMQSAGE-NUJGCVRESA-N 0 1 353.463 0.289 10 0 FCAEMN Cc1nc(CNC[C@]2(C)CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)co1 ZINC001270796195 859847189 /nfs/dbraw/zinc/84/71/89/859847189.db2.gz FAYODXMPNCDIDP-VBQJREDUSA-N 0 1 350.419 0.344 10 0 FCAEMN CC[C@@H]1CCO[C@@H]1C(=O)NCC1(NCc2nccn2C)CCOCC1 ZINC001271043741 859888517 /nfs/dbraw/zinc/88/85/17/859888517.db2.gz GVUJRGLNZMEPQX-ZBFHGGJFSA-N 0 1 350.463 0.990 10 0 FCAEMN O=C(NCC1(O)CN(Cc2nnsc2Cl)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001271303903 859934180 /nfs/dbraw/zinc/93/41/80/859934180.db2.gz PNVIBOLPLSUVIW-RKDXNWHRSA-N 0 1 368.850 0.381 10 0 FCAEMN Cc1nc(CCN2CCC[C@@](CO)(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cs1 ZINC001271981463 860055629 /nfs/dbraw/zinc/05/56/29/860055629.db2.gz GFFQDVHIMQEOQV-JKIFEVAISA-N 0 1 366.487 0.059 10 0 FCAEMN CCC[C@@H]1C[C@H]1C(=O)N[C@]1(CO)CCCN(CCN2CCNC2=O)C1 ZINC001271982131 860056011 /nfs/dbraw/zinc/05/60/11/860056011.db2.gz JORPYXZXXYQFRH-IIDMSEBBSA-N 0 1 352.479 0.391 10 0 FCAEMN Cn1cc(Cl)c(CNC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)n1 ZINC001272443068 860156947 /nfs/dbraw/zinc/15/69/47/860156947.db2.gz KLGBENVUJMMFMF-GMTAPVOTSA-N 0 1 352.826 0.167 10 0 FCAEMN CC[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNCc1cc(=O)n2c(C)csc2n1 ZINC001272521112 860174139 /nfs/dbraw/zinc/17/41/39/860174139.db2.gz NEMQROKZNNXQPW-MRVWCRGKSA-N 0 1 364.471 0.677 10 0 FCAEMN CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@](CO)(NCc2cnn(C)c2)C1 ZINC001273883404 860625661 /nfs/dbraw/zinc/62/56/61/860625661.db2.gz BCKKNAVNVQDRGC-SOLBZPMBSA-N 0 1 350.463 0.678 10 0 FCAEMN C[C@@H](CNCC(=O)Nc1nncs1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001275312565 861027023 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O=C(Cc1c[nH]cn1)N1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000922292422 1245667735 /nfs/dbraw/zinc/66/77/35/1245667735.db2.gz DNJUBMORUORAAH-LJQANCHMSA-N 0 1 354.410 0.982 10 0 FCAEMN CO[C@@H]1C[C@H]2CN(C(=O)NCCCc3nc[nH]n3)Cc3cccnc3N2C1 ZINC000923132174 1245699959 /nfs/dbraw/zinc/69/99/59/1245699959.db2.gz PGRZIIUCEROODE-LSDHHAIUSA-N 0 1 371.445 0.951 10 0 FCAEMN O=C(C[C@H]1COC(=O)C1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000940756213 1246377599 /nfs/dbraw/zinc/37/75/99/1246377599.db2.gz RYKBNGBRCJWINI-MGPQQGTHSA-N 0 1 360.414 0.527 10 0 FCAEMN O=C(CCc1ccncn1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000941259212 1246522706 /nfs/dbraw/zinc/52/27/06/1246522706.db2.gz WWUBUKBDYLXONK-HZPDHXFCSA-N 0 1 368.441 0.997 10 0 FCAEMN Cn1ccc(=O)c(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)c1 ZINC000941481163 1246644262 /nfs/dbraw/zinc/64/42/62/1246644262.db2.gz YPECHDFZVHGLND-ZIAGYGMSSA-N 0 1 369.425 0.587 10 0 FCAEMN CN1CC[C@H](C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)C1=O ZINC000941480872 1246644651 /nfs/dbraw/zinc/64/46/51/1246644651.db2.gz OLFAPZHEPNEQSW-BFHYXJOUSA-N 0 1 359.430 0.052 10 0 FCAEMN CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001515126091 1265438290 /nfs/dbraw/zinc/43/82/90/1265438290.db2.gz FPHQHRUCAVDYFN-GUTXKFCHSA-N 0 1 361.446 0.364 10 0 FCAEMN Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)CCn3cnnn3)C2)c1C ZINC001515137344 1265443035 /nfs/dbraw/zinc/44/30/35/1265443035.db2.gz IPCXGJGTWXAHOF-QWHCGFSZSA-N 0 1 360.422 0.118 10 0 FCAEMN C[C@@]1(C(=O)N[C@@H]2CC[C@H](CNC(=O)CCc3c[nH]nn3)C2)CCCOC1 ZINC001515163872 1265448593 /nfs/dbraw/zinc/44/85/93/1265448593.db2.gz CSWVMCDGLFXJHF-PMUMKWKESA-N 0 1 363.462 0.955 10 0 FCAEMN C[C@@]1(C(=O)N[C@@H]2CC[C@H](CNC(=O)CCc3cnn[nH]3)C2)CCCOC1 ZINC001515163872 1265448598 /nfs/dbraw/zinc/44/85/98/1265448598.db2.gz CSWVMCDGLFXJHF-PMUMKWKESA-N 0 1 363.462 0.955 10 0 FCAEMN CN1CCN(c2ccc(CNC(=O)C(=O)N3CC4CC3(C)C4)cn2)CC1 ZINC001327915241 1265453659 /nfs/dbraw/zinc/45/36/59/1265453659.db2.gz GEBBXVXRIRRRAE-UHFFFAOYSA-N 0 1 357.458 0.461 10 0 FCAEMN C[C@H]1C[C@@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001515182255 1265457786 /nfs/dbraw/zinc/45/77/86/1265457786.db2.gz AMBMIMXURGBLAC-OSMBCOQSSA-N 0 1 370.457 0.843 10 0 FCAEMN CCO[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1CNC(=O)Cc1ccco1 ZINC001515227765 1265469579 /nfs/dbraw/zinc/46/95/79/1265469579.db2.gz ILXIPXSBBVUBNJ-CZUORRHYSA-N 0 1 360.414 0.768 10 0 FCAEMN CCO[C@@H](C(=O)N1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](OCC)C1)C1CC1 ZINC001515231111 1265472591 /nfs/dbraw/zinc/47/25/91/1265472591.db2.gz NELCQBJBDVCEHI-MGPQQGTHSA-N 0 1 365.434 0.213 10 0 FCAEMN CCO[C@@H](C(=O)N1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](OCC)C1)C1CC1 ZINC001515231111 1265472595 /nfs/dbraw/zinc/47/25/95/1265472595.db2.gz NELCQBJBDVCEHI-MGPQQGTHSA-N 0 1 365.434 0.213 10 0 FCAEMN CCO[C@@H]1CN(C(=O)[C@H]2CCCCN2C)C[C@H]1CNC(=O)CSC ZINC001515237965 1265474154 /nfs/dbraw/zinc/47/41/54/1265474154.db2.gz BGLRTYCAIHZEDG-RBSFLKMASA-N 0 1 357.520 0.813 10 0 FCAEMN CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNC(=O)CCSC ZINC001515251566 1265482340 /nfs/dbraw/zinc/48/23/40/1265482340.db2.gz YGTVGZNOFLDKGX-TZMCWYRMSA-N 0 1 354.476 0.685 10 0 FCAEMN CCO[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1CNC(=O)COC(C)C ZINC001515253433 1265483327 /nfs/dbraw/zinc/48/33/27/1265483327.db2.gz SQMCBUSDJCEJBD-TZMCWYRMSA-N 0 1 368.434 0.144 10 0 FCAEMN COCCOCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)Cc1cc(C)n[nH]1 ZINC001515280554 1265489704 /nfs/dbraw/zinc/48/97/04/1265489704.db2.gz JHJDGSYMDUXIDA-CJNGLKHVSA-N 0 1 366.462 0.667 10 0 FCAEMN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(O)(CNCc2c(F)cccc2F)CC1 ZINC001328196223 1265501394 /nfs/dbraw/zinc/50/13/94/1265501394.db2.gz FTKFEBPGARCBSC-NEPJUHHUSA-N 0 1 367.396 0.529 10 0 FCAEMN C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001515347586 1265509636 /nfs/dbraw/zinc/50/96/36/1265509636.db2.gz SBNPPAUDJHSIFY-IPYPFGDCSA-N 0 1 361.446 0.222 10 0 FCAEMN Cn1cncc1[C@@H]1[C@@H](COC(=O)CCn2cnnn2)CCCN1C1CC1 ZINC001515749604 1265523653 /nfs/dbraw/zinc/52/36/53/1265523653.db2.gz IDBSQHNABWYGGT-DYVFJYSZSA-N 0 1 359.434 0.956 10 0 FCAEMN Cn1cncc1[C@@H]1[C@@H](COC(=O)CCn2cnnn2)CCC[N@H+]1C1CC1 ZINC001515749604 1265523643 /nfs/dbraw/zinc/52/36/43/1265523643.db2.gz IDBSQHNABWYGGT-DYVFJYSZSA-N 0 1 359.434 0.956 10 0 FCAEMN CCN1CCN(c2nnc([C@@H]3COCCN3C)n2C[C@@H]2CCOC2)CC1 ZINC001515846423 1265527264 /nfs/dbraw/zinc/52/72/64/1265527264.db2.gz TZYKXNCLXIXRMY-HOTGVXAUSA-N 0 1 364.494 0.460 10 0 FCAEMN CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N2CCCCO2)C1 ZINC001328310073 1265529596 /nfs/dbraw/zinc/52/95/96/1265529596.db2.gz VYVPAXKHASXRLS-QGZVFWFLSA-N 0 1 360.458 0.473 10 0 FCAEMN COCc1nc(CNC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)n[nH]1 ZINC001328466279 1265556880 /nfs/dbraw/zinc/55/68/80/1265556880.db2.gz RYCKNHGXOFGNHW-ZDUSSCGKSA-N 0 1 358.402 0.515 10 0 FCAEMN COCc1nnc(CNC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)[nH]1 ZINC001328466279 1265556887 /nfs/dbraw/zinc/55/68/87/1265556887.db2.gz RYCKNHGXOFGNHW-ZDUSSCGKSA-N 0 1 358.402 0.515 10 0 FCAEMN O=C(C(=O)N1CCC[C@@H](CN2CCOCC2)C1)N1CC[C@]2(CC2(F)F)C1 ZINC001328768450 1265609853 /nfs/dbraw/zinc/60/98/53/1265609853.db2.gz HNQLLWXRYJKYKC-YOEHRIQHSA-N 0 1 371.428 0.815 10 0 FCAEMN O=C(C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001328867276 1265633032 /nfs/dbraw/zinc/63/30/32/1265633032.db2.gz SHDNAJARMMPKSN-YNEHKIRRSA-N 0 1 373.413 0.020 10 0 FCAEMN Cc1cc(C[C@H](C)NC(=O)C(=O)NCCOc2ccc3c(c2)OCO3)n[nH]1 ZINC001328897922 1265644144 /nfs/dbraw/zinc/64/41/44/1265644144.db2.gz NIHUVYVILIOGOZ-NSHDSACASA-N 0 1 374.397 0.689 10 0 FCAEMN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCc1ncnn1C(C)C ZINC001328951879 1265657622 /nfs/dbraw/zinc/65/76/22/1265657622.db2.gz IBDVJTOKGKALGT-CQSZACIVSA-N 0 1 361.450 0.972 10 0 FCAEMN COCc1nc(-c2nnc(N3CCN(C4CC4)CC3)n2CC2CC2)nn1C ZINC001518433851 1265662927 /nfs/dbraw/zinc/66/29/27/1265662927.db2.gz XWSQECDSSPDGKO-UHFFFAOYSA-N 0 1 372.477 0.914 10 0 FCAEMN CC(C)[C@@H]1CNCCN1C(=O)C(=O)NCCCNC(=O)c1ccccc1 ZINC001329069515 1265685271 /nfs/dbraw/zinc/68/52/71/1265685271.db2.gz NBWVHADZRAASJA-INIZCTEOSA-N 0 1 360.458 0.379 10 0 FCAEMN C[C@H]1CC(=O)N(C)c2ccc(NC(=O)C(=O)NCCc3nc[nH]n3)cc21 ZINC001329091559 1265691925 /nfs/dbraw/zinc/69/19/25/1265691925.db2.gz CBRIBQZJEHINOE-JTQLQIEISA-N 0 1 356.386 0.572 10 0 FCAEMN C[C@@H](NC(=O)C(=O)NC[C@@H]1CN(C)CCN1C)c1ccc2c(c1)CCCO2 ZINC001329227766 1265716996 /nfs/dbraw/zinc/71/69/96/1265716996.db2.gz MOOCNKOTBLJXLQ-RHSMWYFYSA-N 0 1 374.485 0.551 10 0 FCAEMN CN1C[C@@H](CNC(=O)N2CCS(=O)(=O)CCO2)[C@H](c2ccccc2)C1 ZINC001519701066 1265755390 /nfs/dbraw/zinc/75/53/90/1265755390.db2.gz YKSZRDPJBJNHCG-CVEARBPZSA-N 0 1 367.471 0.703 10 0 FCAEMN O=C(C(=O)N1C[C@H]2CCC[C@@H](C1)N2)N1CCC(OC[C@H]2CCCO2)CC1 ZINC001329454338 1265759329 /nfs/dbraw/zinc/75/93/29/1265759329.db2.gz PENNYKVPLDZGTL-HLLBOEOZSA-N 0 1 365.474 0.526 10 0 FCAEMN CC[C@@H](C)C(=O)NCC(=O)N1CC[C@H](NC(=O)CN2CCCC2)[C@H]1CC ZINC001519824730 1265780806 /nfs/dbraw/zinc/78/08/06/1265780806.db2.gz MKWUBOISVAAYTQ-OWCLPIDISA-N 0 1 366.506 0.740 10 0 FCAEMN CN1CCc2cc(NC(=O)C(=O)NCc3n[nH]c(C4CC4)n3)ccc2C1=O ZINC001329575141 1265785775 /nfs/dbraw/zinc/78/57/75/1265785775.db2.gz XOVXQOFDJDMUFP-UHFFFAOYSA-N 0 1 368.397 0.565 10 0 FCAEMN C[C@H](NC(=O)N1CCC(N2CCCOC2=O)CC1)[C@@H]1CN(C)CCN1C ZINC001519903412 1265799069 /nfs/dbraw/zinc/79/90/69/1265799069.db2.gz YGWJORPKIBGWQU-HOCLYGCPSA-N 0 1 367.494 0.637 10 0 FCAEMN COC1CC(CCNC(=O)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC001329676717 1265811122 /nfs/dbraw/zinc/81/11/22/1265811122.db2.gz OOZMQPRQCDSDGY-HPUBIQBYSA-N 0 1 367.490 0.629 10 0 FCAEMN C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001329685405 1265814543 /nfs/dbraw/zinc/81/45/43/1265814543.db2.gz HKYCQZJFAOIMIR-QGZVFWFLSA-N 0 1 363.458 0.928 10 0 FCAEMN CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001329685405 1265814549 /nfs/dbraw/zinc/81/45/49/1265814549.db2.gz HKYCQZJFAOIMIR-QGZVFWFLSA-N 0 1 363.458 0.928 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]nn2)CCN1C(=O)c1ccc(C)nn1 ZINC001520050150 1265837263 /nfs/dbraw/zinc/83/72/63/1265837263.db2.gz JXFMFLGZLMHRJK-DZGCQCFKSA-N 0 1 357.418 0.645 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)CCc2cnn[nH]2)CCN1C(=O)c1ccc(C)nn1 ZINC001520050150 1265837278 /nfs/dbraw/zinc/83/72/78/1265837278.db2.gz JXFMFLGZLMHRJK-DZGCQCFKSA-N 0 1 357.418 0.645 10 0 FCAEMN CCOCC(=O)N1CCC[C@H](N(CCO)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001520071644 1265844473 /nfs/dbraw/zinc/84/44/73/1265844473.db2.gz DNGSVIWXWSYZQY-RRFJBIMHSA-N 0 1 364.446 0.362 10 0 FCAEMN C[C@@H](CNC(=O)N1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1)N1CCN(C)CC1 ZINC001520193012 1265873313 /nfs/dbraw/zinc/87/33/13/1265873313.db2.gz VSBCYMXQWGDLBH-BHYGNILZSA-N 0 1 372.535 0.089 10 0 FCAEMN C[C@@H](CNC(=O)NC[C@@H](O)Cc1ccccc1F)N1CCN(C)CC1 ZINC001520190746 1265873339 /nfs/dbraw/zinc/87/33/39/1265873339.db2.gz CJWWBPFMFQIQNY-HOCLYGCPSA-N 0 1 352.454 0.664 10 0 FCAEMN CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001520273964 1265895729 /nfs/dbraw/zinc/89/57/29/1265895729.db2.gz 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CCc1cccc(NC(=O)CNC[C@H](O)CNC(=O)[C@]23C[C@H]2COC3)c1 ZINC001496979943 1263907448 /nfs/dbraw/zinc/90/74/48/1263907448.db2.gz XMIXVOQFEWZAGZ-QOKNQOGYSA-N 0 1 361.442 0.291 10 0 FCAEMN NC(=O)c1cccc(CNC/C=C/CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)c1 ZINC001321169334 1263916369 /nfs/dbraw/zinc/91/63/69/1263916369.db2.gz ORETVFIPGINQRB-RQXUHTSESA-N 0 1 373.453 0.599 10 0 FCAEMN CCCN(CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(=O)c1cnn(C)c1N ZINC001497280657 1263922689 /nfs/dbraw/zinc/92/26/89/1263922689.db2.gz MWJPBKZFNLWZQK-VXGBXAGGSA-N 0 1 359.434 0.498 10 0 FCAEMN CCCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)c1cnccc1N(C)C ZINC001497347579 1263928650 /nfs/dbraw/zinc/92/86/50/1263928650.db2.gz XVMZHKKUKUSNNK-OLZOCXBDSA-N 0 1 361.446 0.237 10 0 FCAEMN C[C@@H](NC(=O)CNC/C=C\CNC(=O)[C@@H]1C[C@H]1C(C)(C)C)C(=O)N(C)C ZINC001497631038 1263943710 /nfs/dbraw/zinc/94/37/10/1263943710.db2.gz CIWNMZNFWIQPPX-MLQDSIPVSA-N 0 1 366.506 0.524 10 0 FCAEMN CCc1noc(C)c1CNC/C=C\CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001497672467 1263947767 /nfs/dbraw/zinc/94/77/67/1263947767.db2.gz ADJKBUSJBPUGJE-ZYOQUQOHSA-N 0 1 350.419 0.340 10 0 FCAEMN NC(=O)N[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC001321412320 1263956950 /nfs/dbraw/zinc/95/69/50/1263956950.db2.gz YKLKAJVXPLFQPQ-CVEARBPZSA-N 0 1 373.457 0.209 10 0 FCAEMN CN(C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)C(=O)Cc1ncn[nH]1 ZINC001497915335 1263958011 /nfs/dbraw/zinc/95/80/11/1263958011.db2.gz IXKDGBUEUYHUGV-OBUHKUQYSA-N 0 1 359.430 0.078 10 0 FCAEMN COc1ccc(Cl)c(CNC[C@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 ZINC001498113063 1263963484 /nfs/dbraw/zinc/96/34/84/1263963484.db2.gz RVOVQJFTGNELKG-NZVBXONLSA-N 0 1 369.849 0.976 10 0 FCAEMN CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCC(C)(C)O1)N1CCN(C)CC1 ZINC001321486276 1263971363 /nfs/dbraw/zinc/97/13/63/1263971363.db2.gz UAEKDTDHOQVGGT-CVEARBPZSA-N 0 1 368.522 0.448 10 0 FCAEMN COc1ccc(C)cc1CN(C)C[C@@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001498381331 1263972162 /nfs/dbraw/zinc/97/21/62/1263972162.db2.gz OODGEZMLDSHKKP-XOKHGSTOSA-N 0 1 363.458 0.973 10 0 FCAEMN CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)NC(=O)c1cccc2ncnn21 ZINC001499171518 1264009523 /nfs/dbraw/zinc/00/95/23/1264009523.db2.gz DVDCKOXFNCNULZ-YNEHKIRRSA-N 0 1 367.413 0.881 10 0 FCAEMN CC[C@@H](CNC(=O)c1cccc2ncnn21)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001499181711 1264010768 /nfs/dbraw/zinc/01/07/68/1264010768.db2.gz GLOVLXBVVGUCJW-YNEHKIRRSA-N 0 1 367.413 0.881 10 0 FCAEMN Cc1ccccc1NC(=O)[C@H](C)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001499352794 1264025668 /nfs/dbraw/zinc/02/56/68/1264025668.db2.gz SJCPNYARPPVRKD-MJBXVCDLSA-N 0 1 358.442 0.682 10 0 FCAEMN O=C(NCC1(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001499526262 1264033097 /nfs/dbraw/zinc/03/30/97/1264033097.db2.gz DHGRPYBKUJSNFW-FAHYXWLWSA-N 0 1 358.442 0.951 10 0 FCAEMN Cc1nn(C)c(NC(=O)C(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)c1C ZINC001321689876 1264036032 /nfs/dbraw/zinc/03/60/32/1264036032.db2.gz 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CC(C)OCCN1CCC[C@](CO)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001501337060 1264116210 /nfs/dbraw/zinc/11/62/10/1264116210.db2.gz FJWVKUKHKGAEFR-BMFAXAFESA-N 0 1 370.490 0.406 10 0 FCAEMN Cc1nnc([C@H](C)NCCN(CCO)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)s1 ZINC001501464041 1264123769 /nfs/dbraw/zinc/12/37/69/1264123769.db2.gz NUEBURZBWVTMDU-CYZMBNFOSA-N 0 1 364.475 0.845 10 0 FCAEMN O=C(NC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccc2cccnn21 ZINC001501526029 1264128913 /nfs/dbraw/zinc/12/89/13/1264128913.db2.gz NBPPAFCWOYYRQU-BFHYXJOUSA-N 0 1 368.397 0.068 10 0 FCAEMN O=C(NC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1cc2cnccc2o1 ZINC001501564984 1264136576 /nfs/dbraw/zinc/13/65/76/1264136576.db2.gz ZVXPRQUPXFAQJV-JHJVBQTASA-N 0 1 369.381 0.562 10 0 FCAEMN C[C@@H]1COCC[C@H]1NC(=O)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC001322055418 1264138174 /nfs/dbraw/zinc/13/81/74/1264138174.db2.gz JOBXBVYMZLEHAQ-RHSMWYFYSA-N 0 1 360.458 0.703 10 0 FCAEMN O=C(NC/C=C/CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1cncc2nc[nH]c21 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COCc1ccnc(NC(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)c1 ZINC000652614756 492970900 /nfs/dbraw/zinc/97/09/00/492970900.db2.gz KSBYMRWWKRQZHW-HNNXBMFYSA-N 0 1 361.446 0.904 10 0 FCAEMN CN1C(=O)C[C@@H](NS(=O)(=O)Cc2ncsc2Br)C1=O ZINC000632313412 492971102 /nfs/dbraw/zinc/97/11/02/492971102.db2.gz ICEUZYXIWQUQOV-RXMQYKEDSA-N 0 1 368.234 0.082 10 0 FCAEMN Cc1cnc(C)c(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)c1 ZINC000652620676 492972083 /nfs/dbraw/zinc/97/20/83/492972083.db2.gz OHAGEEYBSYPTKH-OAHLLOKOSA-N 0 1 373.457 0.307 10 0 FCAEMN Cn1nc2c(c1CNS(=O)(=O)CCCN1CCN(C)CC1)CCCC2 ZINC000632351700 492980296 /nfs/dbraw/zinc/98/02/96/492980296.db2.gz LVRNPZDYHPDAFT-UHFFFAOYSA-N 0 1 369.535 0.356 10 0 FCAEMN C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H](Cc2ccccc2)C1 ZINC000652662578 492982445 /nfs/dbraw/zinc/98/24/45/492982445.db2.gz VXAHWSLQJYAHER-HOTGVXAUSA-N 0 1 359.426 0.305 10 0 FCAEMN C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H](Cc2ccccc2)C1 ZINC000652662578 492982447 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O=C(c1cnn(CCC(F)(F)F)c1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000652900570 493037508 /nfs/dbraw/zinc/03/75/08/493037508.db2.gz RWKJRZKNNHYXRK-UHFFFAOYSA-N 0 1 357.340 0.912 10 0 FCAEMN O=C(NC[C@@H]1COCCN1)C(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000626882725 493048874 /nfs/dbraw/zinc/04/88/74/493048874.db2.gz CFSPCOQPEOXHBY-DGCLKSJQSA-N 0 1 355.341 0.516 10 0 FCAEMN C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)co1 ZINC000646449441 493049356 /nfs/dbraw/zinc/04/93/56/493049356.db2.gz NDDADYORJMBCOU-CHWSQXEVSA-N 0 1 357.432 0.123 10 0 FCAEMN C[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)co1 ZINC000646449441 493049358 /nfs/dbraw/zinc/04/93/58/493049358.db2.gz NDDADYORJMBCOU-CHWSQXEVSA-N 0 1 357.432 0.123 10 0 FCAEMN Cn1nccc1[C@H]1COCCN1C(=O)c1cccc(N2CCN(C)CC2)n1 ZINC000652985041 493053209 /nfs/dbraw/zinc/05/32/09/493053209.db2.gz DACIBZNNPPGXBD-QGZVFWFLSA-N 0 1 370.457 0.781 10 0 FCAEMN CN(C[C@H]1CCc2ccccc21)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000658784482 493054579 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CCN(C(=O)C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1)[C@H]1CCN(C)C1 ZINC000658806473 493063081 /nfs/dbraw/zinc/06/30/81/493063081.db2.gz GFBKXPGHERVXIA-CVEARBPZSA-N 0 1 366.506 0.550 10 0 FCAEMN CCN(C(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1)[C@@H]1CCN(C)C1 ZINC000658807394 493063362 /nfs/dbraw/zinc/06/33/62/493063362.db2.gz NUVHUHGVHBZRIW-LSDHHAIUSA-N 0 1 350.463 0.152 10 0 FCAEMN CCN(C(=O)C(=O)N1CCN(Cc2cccs2)CC1)[C@@H]1CCN(C)C1 ZINC000658809120 493064542 /nfs/dbraw/zinc/06/45/42/493064542.db2.gz ZOVMGMSTZGUTIK-OAHLLOKOSA-N 0 1 364.515 0.945 10 0 FCAEMN CO[C@H]1CN(C(=O)C(=O)N2CCC(c3cn[nH]c3C)CC2)[C@@](C)(CO)C1 ZINC000632717018 493073113 /nfs/dbraw/zinc/07/31/13/493073113.db2.gz DUTIPGXFYZIARA-RDTXWAMCSA-N 0 1 364.446 0.422 10 0 FCAEMN C[C@H](C[C@@H]1CCOC1)NC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000626999695 493077829 /nfs/dbraw/zinc/07/78/29/493077829.db2.gz JTSCSHUDVJCTDT-CABCVRRESA-N 0 1 353.467 0.154 10 0 FCAEMN O=C1c2ccccc2C(=O)N1C[C@H](O)CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640041488 493078879 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O=C(NCCCCN1CCOCC1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000632896767 493095365 /nfs/dbraw/zinc/09/53/65/493095365.db2.gz GCDBQLQRDVHWLG-QWHCGFSZSA-N 0 1 353.385 0.911 10 0 FCAEMN CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000658889653 493100877 /nfs/dbraw/zinc/10/08/77/493100877.db2.gz UOICARAQEHEXSF-HUUCEWRRSA-N 0 1 364.490 0.446 10 0 FCAEMN CC(C)(C)N1CC[C@@H]1CNC(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000658889653 493100882 /nfs/dbraw/zinc/10/08/82/493100882.db2.gz UOICARAQEHEXSF-HUUCEWRRSA-N 0 1 364.490 0.446 10 0 FCAEMN CS(=O)(=O)NCC1CCN(C(=O)c2n[nH]cc2C(F)(F)F)CC1 ZINC000633017098 493103679 /nfs/dbraw/zinc/10/36/79/493103679.db2.gz LYCFNTOBMJSPNR-UHFFFAOYSA-N 0 1 354.354 0.830 10 0 FCAEMN CC[C@H]1CN(C(=O)C(=O)NCCCCN2CCOCC2)[C@@H](CC)CO1 ZINC000653370362 493105003 /nfs/dbraw/zinc/10/50/03/493105003.db2.gz LTCLLNJJTZMYSV-HOTGVXAUSA-N 0 1 355.479 0.631 10 0 FCAEMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000627192092 493105173 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O=C(CCCCc1cn[nH]n1)N1CC[C@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]21 ZINC001512833857 1264685069 /nfs/dbraw/zinc/68/50/69/1264685069.db2.gz GVHPLFACCXSKSK-BFIPOCKSSA-N 0 1 373.457 0.613 10 0 FCAEMN Cn1ncc(CNC(=O)NCc2cccc(C[NH+]3CCN(C)CC3)c2)n1 ZINC001324651143 1264685674 /nfs/dbraw/zinc/68/56/74/1264685674.db2.gz FRDJDIFEGYVKNZ-UHFFFAOYSA-N 0 1 357.462 0.562 10 0 FCAEMN C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CN(C(=O)c3cccc4c[nH]nc43)C[C@H]21 ZINC001512835815 1264686429 /nfs/dbraw/zinc/68/64/29/1264686429.db2.gz RAFTWPPHTPYUBI-CORIIIEPSA-N 0 1 369.425 0.747 10 0 FCAEMN Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCC(NC(=O)C(C)C)CC2)n[nH]1 ZINC001324693986 1264687192 /nfs/dbraw/zinc/68/71/92/1264687192.db2.gz LCUJPCPZLRARLU-GFCCVEGCSA-N 0 1 363.462 0.529 10 0 FCAEMN C[C@]1(CNCc2noc3c2COCC3)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001324788665 1264700353 /nfs/dbraw/zinc/70/03/53/1264700353.db2.gz KBTNWLGPZBNDOE-FTLABTOESA-N 0 1 362.430 0.197 10 0 FCAEMN CCn1cc(CNC[C@@]2(C)CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)nn1 ZINC001324791623 1264700748 /nfs/dbraw/zinc/70/07/48/1264700748.db2.gz YFJOJCQMNUATRL-QWQRMKEZSA-N 0 1 362.478 0.528 10 0 FCAEMN CCn1cc(CNC[C@]2(C)CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)nn1 ZINC001324791621 1264700841 /nfs/dbraw/zinc/70/08/41/1264700841.db2.gz YFJOJCQMNUATRL-GLJUWKHASA-N 0 1 362.478 0.528 10 0 FCAEMN CCO[C@H](CC)C(=O)N[C@@H]1CN(C(=O)c2cccc3n[nH]cc32)C[C@H]1O ZINC001512896701 1264719567 /nfs/dbraw/zinc/71/95/67/1264719567.db2.gz GEZPYHKZCVLNRQ-BZUAXINKSA-N 0 1 360.414 0.680 10 0 FCAEMN CC(C)COCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@H]1O ZINC001512896885 1264719851 /nfs/dbraw/zinc/71/98/51/1264719851.db2.gz BKGGTKBFLGGFMS-OWCLPIDISA-N 0 1 355.479 0.221 10 0 FCAEMN CN1CCC[C@H](NC(=O)C(=O)NCc2ccccc2Cn2ccnc2)C1 ZINC001324866134 1264720902 /nfs/dbraw/zinc/72/09/02/1264720902.db2.gz MATWIVHQYWHWOK-KRWDZBQOSA-N 0 1 355.442 0.758 10 0 FCAEMN CC(C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C[C@H]1O ZINC001512953277 1264766308 /nfs/dbraw/zinc/76/63/08/1264766308.db2.gz RHSYUCUTDYOTSE-DAXOMENPSA-N 0 1 362.474 0.885 10 0 FCAEMN CCOCCC1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2O)CCC1 ZINC001512955478 1264770918 /nfs/dbraw/zinc/77/09/18/1264770918.db2.gz NQMFCEKFTKFPOZ-OWCLPIDISA-N 0 1 367.490 0.365 10 0 FCAEMN CCN(CC)C[C@H](F)C(=O)N[C@@H]1CN(C(=O)CCn2cccc2)C[C@H]1O ZINC001512967208 1264776732 /nfs/dbraw/zinc/77/67/32/1264776732.db2.gz BBTAFJYQZPYIKF-ARFHVFGLSA-N 0 1 368.453 0.246 10 0 FCAEMN O=C(C(=O)N1C[C@@H]2COC[C@H](C1)O2)N1CCN(CC2CCCCC2)CC1 ZINC001325102936 1264777393 /nfs/dbraw/zinc/77/73/93/1264777393.db2.gz XSSVIENBBAXSJV-CALCHBBNSA-N 0 1 365.474 0.337 10 0 FCAEMN CCN(CC)C[C@H](F)C(=O)N[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1O ZINC001512968894 1264777849 /nfs/dbraw/zinc/77/78/49/1264777849.db2.gz IQQNNDSTCLLTDJ-RRFJBIMHSA-N 0 1 357.426 0.049 10 0 FCAEMN CCCC[C@H](C(=O)N[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1O)C(C)C ZINC001512976304 1264785136 /nfs/dbraw/zinc/78/51/36/1264785136.db2.gz SPPSKXVRSQIIDD-GZBFAFLISA-N 0 1 366.462 0.890 10 0 FCAEMN CCN(C(=O)C(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1)[C@@H]1CC[N@@H+](C)C1 ZINC001334057041 1266798400 /nfs/dbraw/zinc/79/84/00/1266798400.db2.gz HOCIJXCRCKQKRA-CQSZACIVSA-N 0 1 374.420 0.780 10 0 FCAEMN CCc1nc([C@H](C)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)n[nH]1 ZINC001325281612 1264833800 /nfs/dbraw/zinc/83/38/00/1264833800.db2.gz SKZKLULROZBIPN-AEGPPILISA-N 0 1 370.457 0.790 10 0 FCAEMN C[C@@H]1C[C@H]1CNC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC001325368316 1264862023 /nfs/dbraw/zinc/86/20/23/1264862023.db2.gz FTYXRNAYMITSIV-AEFFLSMTSA-N 0 1 358.486 0.693 10 0 FCAEMN CCC[C@@H](OCC)C(=O)N[C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@H]1O ZINC001513027241 1264866197 /nfs/dbraw/zinc/86/61/97/1264866197.db2.gz IBPMFQWICBTOBF-RBSFLKMASA-N 0 1 352.435 0.479 10 0 FCAEMN O=C(CCCc1ccccc1)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1O ZINC001513049262 1264890700 /nfs/dbraw/zinc/89/07/00/1264890700.db2.gz VBQAWCWVKIKEJJ-QZTJIDSGSA-N 0 1 359.470 0.793 10 0 FCAEMN C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(CF)CCC2)C1 ZINC001513073001 1264913530 /nfs/dbraw/zinc/91/35/30/1264913530.db2.gz FLCFCKXTRBXJFH-MRVWCRGKSA-N 0 1 352.410 0.416 10 0 FCAEMN C[C@@H]1CN(C(=O)c2cnn(C)c2C2CC2)C[C@H]1NC(=O)CCc1nc[nH]n1 ZINC001513176380 1264941280 /nfs/dbraw/zinc/94/12/80/1264941280.db2.gz WWEPVAPLJFJKQT-BXUZGUMPSA-N 0 1 371.445 0.625 10 0 FCAEMN Cc1nn[nH]c1C(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2c(C)noc2C)C1 ZINC001513201261 1264957726 /nfs/dbraw/zinc/95/77/26/1264957726.db2.gz PCMXOOAKSOSEKC-YMTOWFKASA-N 0 1 360.418 0.927 10 0 FCAEMN COC(=O)[C@@H]1CCN(C(=O)C(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC001325646610 1264958902 /nfs/dbraw/zinc/95/89/02/1264958902.db2.gz YWHBNSCAVUXMJD-CQSZACIVSA-N 0 1 365.430 0.581 10 0 FCAEMN C[C@@H]1C[C@H]1CNC(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC001325692455 1264970829 /nfs/dbraw/zinc/97/08/29/1264970829.db2.gz LXMSVBZBLQHWGT-NJAFHUGGSA-N 0 1 358.486 0.864 10 0 FCAEMN CC[C@]1(C(=O)N2C[C@@H](C)[C@H](NC(=O)CN(C)C3CCC3)C2)CCNC1=O ZINC001513229768 1264977262 /nfs/dbraw/zinc/97/72/62/1264977262.db2.gz AVDMXEBKXWWEEP-MUKKUYKPSA-N 0 1 364.490 0.350 10 0 FCAEMN C[C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001513231627 1264978080 /nfs/dbraw/zinc/97/80/80/1264978080.db2.gz SOOVKPVIVIIKMO-CZUORRHYSA-N 0 1 359.474 0.890 10 0 FCAEMN CO[C@@H](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)C(C)(C)CN2CCOCC2)C1 ZINC001513234672 1264981957 /nfs/dbraw/zinc/98/19/57/1264981957.db2.gz FBAHKQDNRYSMHH-OWCLPIDISA-N 0 1 369.506 0.733 10 0 FCAEMN C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C(C)(C)CN2CCOCC2)C1 ZINC001513235925 1264982675 /nfs/dbraw/zinc/98/26/75/1264982675.db2.gz ROZUNIFEMLJDAX-XUWVNRHRSA-N 0 1 351.491 0.964 10 0 FCAEMN CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1C ZINC001513247631 1264992871 /nfs/dbraw/zinc/99/28/71/1264992871.db2.gz QXSWYBJNUHJXJU-IVMMDQJWSA-N 0 1 363.462 0.927 10 0 FCAEMN O=C(NCC[C@H]1COc2ccccc2O1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC001325813925 1265001323 /nfs/dbraw/zinc/00/13/23/1265001323.db2.gz HTWMYPYQSCDGRH-HIFRSBDPSA-N 0 1 359.426 0.686 10 0 FCAEMN O=C(NCC[C@H]1COc2ccccc2O1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC001325813927 1265002432 /nfs/dbraw/zinc/00/24/32/1265002432.db2.gz HTWMYPYQSCDGRH-ZFWWWQNUSA-N 0 1 359.426 0.686 10 0 FCAEMN COCCC1(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH]nn3)C[C@H]2C)CCC1 ZINC001513272194 1265009522 /nfs/dbraw/zinc/00/95/22/1265009522.db2.gz KEMOZXQYMRQALD-UKRRQHHQSA-N 0 1 363.462 0.907 10 0 FCAEMN COCCC1(C(=O)N[C@@H]2CN(C(=O)CCc3cnn[nH]3)C[C@H]2C)CCC1 ZINC001513272194 1265009532 /nfs/dbraw/zinc/00/95/32/1265009532.db2.gz KEMOZXQYMRQALD-UKRRQHHQSA-N 0 1 363.462 0.907 10 0 FCAEMN C[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1NC(=O)CCc1c[nH]nn1 ZINC001513314126 1265030600 /nfs/dbraw/zinc/03/06/00/1265030600.db2.gz DHJKKLQAUDACOZ-CZUORRHYSA-N 0 1 357.414 0.779 10 0 FCAEMN C[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1NC(=O)CCc1cnn[nH]1 ZINC001513314126 1265030601 /nfs/dbraw/zinc/03/06/01/1265030601.db2.gz DHJKKLQAUDACOZ-CZUORRHYSA-N 0 1 357.414 0.779 10 0 FCAEMN CCc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H](C)CSC)[C@H](OC)C2)n[nH]1 ZINC001513355199 1265058952 /nfs/dbraw/zinc/05/89/52/1265058952.db2.gz KSLMMGYADLYVIQ-ZLKJLUDKSA-N 0 1 354.476 0.927 10 0 FCAEMN C[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1C(=O)[O-] ZINC001326187242 1265075079 /nfs/dbraw/zinc/07/50/79/1265075079.db2.gz HIFUKVREWXSCEZ-GJZGRUSLSA-N 0 1 361.446 0.558 10 0 FCAEMN CCCOCC(=O)N1C[C@@H](NC(=O)[C@H](C)Cc2cnc[nH]2)[C@H](OC)C1 ZINC001513380995 1265077968 /nfs/dbraw/zinc/07/79/68/1265077968.db2.gz PBQQESNZXAETPN-BPLDGKMQSA-N 0 1 352.435 0.357 10 0 FCAEMN CCOC(=O)[C@@H]1CNCCN1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC001326276237 1265091521 /nfs/dbraw/zinc/09/15/21/1265091521.db2.gz RKMLPMCUDWSMSM-KRWDZBQOSA-N 0 1 371.441 0.325 10 0 FCAEMN COCC(C)(C)CC(=O)N1C[C@@H](NC(=O)CN2CC[C@H](C)C2)[C@H](OC)C1 ZINC001513430319 1265119066 /nfs/dbraw/zinc/11/90/66/1265119066.db2.gz OYHNXWAABCRBAE-ARFHVFGLSA-N 0 1 369.506 0.733 10 0 FCAEMN CCCc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H](C)OCC(C)C)[C@@H](O)C2)n[nH]1 ZINC001513462332 1265134564 /nfs/dbraw/zinc/13/45/64/1265134564.db2.gz GOFVCXRRHIAZRA-WQVCFCJDSA-N 0 1 366.462 0.725 10 0 FCAEMN C/C(=C\C(=O)N[C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@@H]1O)C1CC1 ZINC001513467339 1265137407 /nfs/dbraw/zinc/13/74/07/1265137407.db2.gz QHIQAAYSKXOSLT-ZLAMNEIASA-N 0 1 355.398 0.616 10 0 FCAEMN COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC001326630826 1265146474 /nfs/dbraw/zinc/14/64/74/1265146474.db2.gz IPICQASOPDTZFD-GVDBMIGSSA-N 0 1 363.458 0.322 10 0 FCAEMN CC(C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC001326659674 1265151666 /nfs/dbraw/zinc/15/16/66/1265151666.db2.gz CTSUFODJAJHHEN-SJORKVTESA-N 0 1 366.506 0.014 10 0 FCAEMN C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CN(C(=O)C(C)(C)C2CC2)C[C@@H]1O ZINC001513517340 1265172566 /nfs/dbraw/zinc/17/25/66/1265172566.db2.gz BEUYEMNWUKKLLK-BMFZPTHFSA-N 0 1 367.490 0.079 10 0 FCAEMN Cc1cc(CNC2(CNC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)CCC2)on1 ZINC001326857373 1265185529 /nfs/dbraw/zinc/18/55/29/1265185529.db2.gz ZCOHSQMPCBBLSU-HIFRSBDPSA-N 0 1 364.446 0.925 10 0 FCAEMN 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351.451 0.731 10 0 FCAEMN CC[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)CC(=O)N1CCOCC1 ZINC001280836382 863451638 /nfs/dbraw/zinc/45/16/38/863451638.db2.gz WTLHBTVVRXORBO-CVEARBPZSA-N 0 1 355.479 0.441 10 0 FCAEMN CC[C@@H]1C[C@H]1C(=O)N1CCC[C@](CO)(NCC(=O)NCC2CCC2)C1 ZINC001281162131 863490651 /nfs/dbraw/zinc/49/06/51/863490651.db2.gz DCBCYLQPZFRXMQ-MDZRGWNJSA-N 0 1 351.491 0.892 10 0 FCAEMN COCCO[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C1 ZINC001281616981 863542498 /nfs/dbraw/zinc/54/24/98/863542498.db2.gz SNIHTKVNAXCLIW-HRCADAONSA-N 0 1 353.463 0.193 10 0 FCAEMN CCCCC(=O)N[C@@H]1CN(C(=O)c2cc(Br)[nH]n2)C[C@H]1O ZINC001281639917 863562301 /nfs/dbraw/zinc/56/23/01/863562301.db2.gz IENPADIJCCZPIV-NXEZZACHSA-N 0 1 359.224 0.664 10 0 FCAEMN CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2sccc2CN(C)C)C[C@H]1O ZINC001281645204 863571521 /nfs/dbraw/zinc/57/15/21/863571521.db2.gz ODSTYIMWJXXGSJ-CYZMBNFOSA-N 0 1 355.460 0.146 10 0 FCAEMN Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2(C(F)(F)F)CC2)C1 ZINC001281676612 863612349 /nfs/dbraw/zinc/61/23/49/863612349.db2.gz DVHSPMQHEUZPTB-RKDXNWHRSA-N 0 1 361.324 0.147 10 0 FCAEMN CCCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H](OC)C(C)C)C2)n[nH]1 ZINC001281711346 863669375 /nfs/dbraw/zinc/66/93/75/863669375.db2.gz LBEBDZHQCZMDRI-RBSFLKMASA-N 0 1 352.435 0.335 10 0 FCAEMN CC(F)(F)CC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2C(F)(F)F)C[C@H]1O ZINC001281712305 863672313 /nfs/dbraw/zinc/67/23/13/863672313.db2.gz UUVGPVBQYISLKC-HTQZYQBOSA-N 0 1 370.278 0.775 10 0 FCAEMN CCO[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]ncc2F)C1)C(C)C ZINC001281713533 863673579 /nfs/dbraw/zinc/67/35/79/863673579.db2.gz DEBGSNJMDNVKMR-UPJWGTAASA-N 0 1 356.398 0.302 10 0 FCAEMN C[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1NC(=O)CCOCC1CC1 ZINC001281760740 863715317 /nfs/dbraw/zinc/71/53/17/863715317.db2.gz LZKKPNYCBGUYHY-DGCLKSJQSA-N 0 1 350.419 0.519 10 0 FCAEMN CNC(=O)CCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)CN2CCCC2)C1 ZINC001281761968 863717978 /nfs/dbraw/zinc/71/79/78/863717978.db2.gz 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361.280 0.846 10 0 FCAEMN O=C(CNC(=O)C(=O)NCc1ccc(Cl)cc1Cl)N1CCNCC1 ZINC000515812916 490839194 /nfs/dbraw/zinc/83/91/94/490839194.db2.gz WZIMTBKCRYJSBD-UHFFFAOYSA-N 0 1 373.240 0.158 10 0 FCAEMN Cc1cccc(CCNC(=O)N2CCN(C(=O)N3CCNCC3)CC2)c1 ZINC000529297987 490848283 /nfs/dbraw/zinc/84/82/83/490848283.db2.gz BGBLQWQEVHSPHF-UHFFFAOYSA-N 0 1 359.474 0.890 10 0 FCAEMN Cc1ncc(CNC(=O)N2CCN(C(=O)N3CCNCC3)CC2)s1 ZINC000529301450 490848843 /nfs/dbraw/zinc/84/88/43/490848843.db2.gz YYGWQAVVJWJDKL-UHFFFAOYSA-N 0 1 352.464 0.304 10 0 FCAEMN O=C(N[C@H]1CCc2c1cccc2O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000529311310 490849286 /nfs/dbraw/zinc/84/92/86/490849286.db2.gz DZZDTNYSADZGLO-INIZCTEOSA-N 0 1 373.457 0.732 10 0 FCAEMN O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000529316076 490850216 /nfs/dbraw/zinc/85/02/16/490850216.db2.gz JHELIHZHAFOCBL-OAHLLOKOSA-N 0 1 365.478 0.441 10 0 FCAEMN CC1(C)[C@H](NC(=O)N2CCN(C(=O)N3CCNCC3)CC2)[C@H]2CCO[C@@H]21 ZINC000529317130 490850656 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O=C(CN1CCN(C(=O)N2CCNCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000530227902 490894065 /nfs/dbraw/zinc/89/40/65/490894065.db2.gz IRINQXWYIXUSKO-UHFFFAOYSA-N 0 1 367.400 0.546 10 0 FCAEMN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)N3CCNCC3)CC2)[C@H]1C ZINC000530227876 490894241 /nfs/dbraw/zinc/89/42/41/490894241.db2.gz IAAVETKUYXUDRS-IXDOHACOSA-N 0 1 365.522 0.570 10 0 FCAEMN O=C(N1CCNCC1)N1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000530242049 490894967 /nfs/dbraw/zinc/89/49/67/490894967.db2.gz JLZOAQYYSLMNCV-UHFFFAOYSA-N 0 1 373.501 0.666 10 0 FCAEMN Cc1nc(C(=O)NCC[C@H]2CCOC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000542418202 490896368 /nfs/dbraw/zinc/89/63/68/490896368.db2.gz VINMPPCIXOQFOF-QMMMGPOBSA-N 0 1 359.312 0.869 10 0 FCAEMN COCCN(Cc1scnc1C)C(=O)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000517252339 490901527 /nfs/dbraw/zinc/90/15/27/490901527.db2.gz PGTSWNNEEYUEQG-CYBMUJFWSA-N 0 1 366.487 0.779 10 0 FCAEMN CCOC(=O)c1cccc(OC[C@@H](O)CN2CCN3CCOC[C@H]3C2)c1 ZINC000542630914 490902335 /nfs/dbraw/zinc/90/23/35/490902335.db2.gz 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490918941 /nfs/dbraw/zinc/91/89/41/490918941.db2.gz QUSJYYZSBULTJB-UHFFFAOYSA-N 0 1 360.506 0.816 10 0 FCAEMN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H](C)CN1CCOCC1 ZINC000543125193 490922763 /nfs/dbraw/zinc/92/27/63/490922763.db2.gz RABRTLVWZLKOKW-HUUCEWRRSA-N 0 1 358.442 0.870 10 0 FCAEMN CCN1CCN(CC(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC000543370612 490930839 /nfs/dbraw/zinc/93/08/39/490930839.db2.gz RGASWFQOWMRZCB-KRWDZBQOSA-N 0 1 359.474 0.326 10 0 FCAEMN CN(Cc1cccnc1)C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000543530407 490935533 /nfs/dbraw/zinc/93/55/33/490935533.db2.gz ZWGMQIMBBCQZMH-UHFFFAOYSA-N 0 1 352.354 0.654 10 0 FCAEMN COC(=O)CC1(NCC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC1 ZINC000518542362 490944791 /nfs/dbraw/zinc/94/47/91/490944791.db2.gz RJFZMSZBARDVEA-UHFFFAOYSA-N 0 1 355.416 0.266 10 0 FCAEMN CCn1cnc(S(=O)(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1 ZINC000543774988 490946375 /nfs/dbraw/zinc/94/63/75/490946375.db2.gz RCXSOROYSLLOSJ-INIZCTEOSA-N 0 1 364.471 0.948 10 0 FCAEMN C[C@@H]1CCN(CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)C1 ZINC000518792216 490951842 /nfs/dbraw/zinc/95/18/42/490951842.db2.gz CIHYRDQVUXQUAP-GDBMZVCRSA-N 0 1 360.458 0.047 10 0 FCAEMN CC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCN2C)cc1Cl ZINC000543985652 490954159 /nfs/dbraw/zinc/95/41/59/490954159.db2.gz DGBZYWNSSGXHIB-CYBMUJFWSA-N 0 1 366.849 0.843 10 0 FCAEMN O=S1(=O)C[C@H](N2CCOCC2)[C@H](NCCc2cccc(F)c2F)C1 ZINC000544070412 490956511 /nfs/dbraw/zinc/95/65/11/490956511.db2.gz YPHAAXJVFIFULT-CABCVRRESA-N 0 1 360.426 0.595 10 0 FCAEMN CC[C@H](NC(=O)C(=O)NC[C@@H]1CCCN1CCOC)C1CCOCC1 ZINC000572386248 491366741 /nfs/dbraw/zinc/36/67/41/491366741.db2.gz YNWCTOBZGWWPEH-HOTGVXAUSA-N 0 1 355.479 0.535 10 0 FCAEMN CC[C@@H](NC(=O)C(=O)NC[C@@H]1CCCN1CCOC)C1CCOCC1 ZINC000572386250 491366779 /nfs/dbraw/zinc/36/67/79/491366779.db2.gz YNWCTOBZGWWPEH-JKSUJKDBSA-N 0 1 355.479 0.535 10 0 FCAEMN COc1ccccc1[C@@H](CNC(=O)CS(=O)(=O)N(C)C)N1CCCC1 ZINC000544205971 490961501 /nfs/dbraw/zinc/96/15/01/490961501.db2.gz 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371.397 0.660 10 0 FCAEMN Cc1nn(C)cc1CCC(=O)N(C)CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001496202018 1263864371 /nfs/dbraw/zinc/86/43/71/1263864371.db2.gz CJJYRUVRAUYKBW-HUUCEWRRSA-N 0 1 358.446 0.763 10 0 FCAEMN CN(CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(=O)COCc1ccncc1 ZINC001496203339 1263865481 /nfs/dbraw/zinc/86/54/81/1263865481.db2.gz YMTRKEOLFHVENK-HUUCEWRRSA-N 0 1 357.414 0.700 10 0 FCAEMN COc1cc(CN[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C(C)C)on1 ZINC001496585600 1263886779 /nfs/dbraw/zinc/88/67/79/1263886779.db2.gz DCOKJFXBZJASDA-MKVSYHDVSA-N 0 1 367.446 0.965 10 0 FCAEMN CCc1nc([C@H](C)N(C)CCN(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)n[nH]1 ZINC001496749217 1263893339 /nfs/dbraw/zinc/89/33/39/1263893339.db2.gz XXAQBSWLQIBETQ-RZLSGREXSA-N 0 1 365.478 0.870 10 0 FCAEMN CN(Cc1ccccc1)C(=O)CNC/C=C\CNC(=O)[C@]12C[C@H]1COC2 ZINC001321066614 1263902189 /nfs/dbraw/zinc/90/21/89/1263902189.db2.gz MESKIFNGKWGRFX-OEIHOAGASA-N 0 1 357.454 0.944 10 0 FCAEMN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](O)CNCc2cc(F)ccc2F)C1 ZINC001497057758 1263913976 /nfs/dbraw/zinc/91/39/76/1263913976.db2.gz LUMQVGAFXSPCMZ-UHIISALHSA-N 0 1 355.385 0.433 10 0 FCAEMN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](O)CNCc2cc(F)ccc2Cl)C1 ZINC001497056236 1263914308 /nfs/dbraw/zinc/91/43/08/1263914308.db2.gz AWCFVIDUCXISKG-SUNKGSAMSA-N 0 1 371.840 0.947 10 0 FCAEMN O=C(CNC/C=C/CNC(=O)[C@]12CCC[C@H]1OCC2)NC1CCOCC1 ZINC001321155188 1263915332 /nfs/dbraw/zinc/91/53/32/1263915332.db2.gz HUJHVXVUJFVHFQ-RIYUAWPZSA-N 0 1 365.474 0.503 10 0 FCAEMN CC[C@@H]1CCO[C@@H]1C(=O)N(CC)CCNCC(=O)Nc1nncs1 ZINC001497402706 1263928418 /nfs/dbraw/zinc/92/84/18/1263928418.db2.gz CUYJGPOVSCLGSU-YPMHNXCESA-N 0 1 355.464 0.730 10 0 FCAEMN CS(=O)(=O)CCNC/C=C/CNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC001497586071 1263941252 /nfs/dbraw/zinc/94/12/52/1263941252.db2.gz RADIENCOOUAYCP-VNHAASDWSA-N 0 1 367.471 0.466 10 0 FCAEMN C[C@]1(c2cccc(CNC(=O)c3[nH]nc4c3CCC4)c2)NC(=O)NC1=O ZINC001321369254 1263946361 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/nfs/dbraw/zinc/48/66/25/489486625.db2.gz LFUDQEDZNZCCMZ-HNNXBMFYSA-N 0 1 363.487 0.371 10 0 FCAEMN CC[C@H]1[C@H](CO)CCN1CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000451252955 489494907 /nfs/dbraw/zinc/49/49/07/489494907.db2.gz LNRPZIDFGZWEIH-BBRMVZONSA-N 0 1 369.487 0.982 10 0 FCAEMN Cc1ccc(S(=O)(=O)N(CCCN(C)C)[C@H]2CCS(=O)(=O)C2)o1 ZINC000414464641 489500235 /nfs/dbraw/zinc/50/02/35/489500235.db2.gz ZGFKSKIFFJBQOG-ZDUSSCGKSA-N 0 1 364.489 0.718 10 0 FCAEMN Cc1nc(CN2CCN(S(=O)(=O)CCc3scnc3C)CC2)n[nH]1 ZINC000451364227 489500668 /nfs/dbraw/zinc/50/06/68/489500668.db2.gz CUENODLNOUMJSP-UHFFFAOYSA-N 0 1 370.504 0.568 10 0 FCAEMN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)C(=O)N2CCN[C@@H](C)C2)CC1 ZINC000423224824 489505237 /nfs/dbraw/zinc/50/52/37/489505237.db2.gz CUIJHDMQXGCQSA-KBPBESRZSA-N 0 1 352.479 0.206 10 0 FCAEMN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)C(=O)N2CCN[C@H](C)C2)CC1 ZINC000423224825 489505330 /nfs/dbraw/zinc/50/53/30/489505330.db2.gz CUIJHDMQXGCQSA-KGLIPLIRSA-N 0 1 352.479 0.206 10 0 FCAEMN CCn1c(N)c(C(=O)CN[C@@H]2CCCC[C@@H]2C(=O)OC)c(=O)[nH]c1=O ZINC000451605308 489511715 /nfs/dbraw/zinc/51/17/15/489511715.db2.gz ZOPGLDZQGDFGQS-VHSXEESVSA-N 0 1 352.391 0.055 10 0 FCAEMN COC(=O)C1(CS(=O)(=O)NC[C@H]2CCCCN2CCO)CCCC1 ZINC000451670651 489516588 /nfs/dbraw/zinc/51/65/88/489516588.db2.gz OZAMQDCRVYRPLF-CQSZACIVSA-N 0 1 362.492 0.486 10 0 FCAEMN COC(=O)c1c(OC)ccc(S(=O)(=O)NC[C@H](C)N(C)C)c1OC ZINC000451932482 489532173 /nfs/dbraw/zinc/53/21/73/489532173.db2.gz PNDIKBMKJYWPGE-JTQLQIEISA-N 0 1 360.432 0.719 10 0 FCAEMN CN(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN(C)C(=O)C1)c1ccccc1 ZINC000425858878 489534570 /nfs/dbraw/zinc/53/45/70/489534570.db2.gz DJAAFEAJVLOQSG-ZBFHGGJFSA-N 0 1 360.458 0.390 10 0 FCAEMN NC(=O)CCOc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000415636465 489538926 /nfs/dbraw/zinc/53/89/26/489538926.db2.gz XHVOYTNRZJYGFW-OKILXGFUSA-N 0 1 360.414 0.232 10 0 FCAEMN CN(CC(=O)NCC(=O)NC(C)(C)C)C1CCN(CC(F)(F)F)CC1 ZINC000452031180 489539798 /nfs/dbraw/zinc/53/97/98/489539798.db2.gz KBIGJKJQFYGADB-UHFFFAOYSA-N 0 1 366.428 0.976 10 0 FCAEMN CN1CCN(c2cc(CNC(=O)c3cn(CC4CC4)nn3)ccn2)CC1 ZINC000563678340 491262277 /nfs/dbraw/zinc/26/22/77/491262277.db2.gz UQQHPUXCOFLGCW-UHFFFAOYSA-N 0 1 355.446 0.765 10 0 FCAEMN CC[C@@H](C)n1nc(NC(=O)C(=O)NC[C@@H]2CCCCN2CCO)cc1C ZINC000453818267 489553938 /nfs/dbraw/zinc/55/39/38/489553938.db2.gz LGGQMOXXNTWQIR-HIFRSBDPSA-N 0 1 365.478 1.064 10 0 FCAEMN CC1(C)CN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)[C@@H]2COC[C@@H]21 ZINC000454070393 489561736 /nfs/dbraw/zinc/56/17/36/489561736.db2.gz PVBDGQRQSHEBSO-WCQYABFASA-N 0 1 371.397 0.484 10 0 FCAEMN CCOC(=O)c1cccc(OC[C@H](O)CN2CCN(CCO)[C@H](C)C2)c1 ZINC000426481107 489569142 /nfs/dbraw/zinc/56/91/42/489569142.db2.gz DLPGBHIJCJRSPG-NVXWUHKLSA-N 0 1 366.458 0.601 10 0 FCAEMN CN(C)[C@H](CNC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)c1ccccc1 ZINC000555662084 491263379 /nfs/dbraw/zinc/26/33/79/491263379.db2.gz CRZBHDGBFCPBQC-OXQOHEQNSA-N 0 1 372.469 0.534 10 0 FCAEMN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCN(CCO)[C@@H](C)C1 ZINC000426487337 489569910 /nfs/dbraw/zinc/56/99/10/489569910.db2.gz PSVJVDCHUGCUJR-YOEHRIQHSA-N 0 1 366.458 0.636 10 0 FCAEMN Cc1cc(C[C@H](C)NC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n[nH]1 ZINC000426530133 489573058 /nfs/dbraw/zinc/57/30/58/489573058.db2.gz NSSGJXMPMRDDTJ-BTDLBPIBSA-N 0 1 362.434 0.669 10 0 FCAEMN O=C(Nc1ccn(-c2ccncc2)n1)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000426544263 489574301 /nfs/dbraw/zinc/57/43/01/489574301.db2.gz MNOYOXBIIRXMDP-UHFFFAOYSA-N 0 1 364.365 0.891 10 0 FCAEMN C[C@@H]1CN(C(=O)CCn2c3ccccc3n(C)c2=O)[C@H](C)CN1CCO ZINC000416291974 489577168 /nfs/dbraw/zinc/57/71/68/489577168.db2.gz IHDODBLAQJTZOX-HUUCEWRRSA-N 0 1 360.458 0.644 10 0 FCAEMN C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC000416286421 489577427 /nfs/dbraw/zinc/57/74/27/489577427.db2.gz AVCZBSGYDGXCBV-UONOGXRCSA-N 0 1 374.441 0.406 10 0 FCAEMN C[C@@H]1CN(C(=O)CNC(=O)c2cccc(Cl)c2)[C@H](C)CN1CCO ZINC000416293348 489578155 /nfs/dbraw/zinc/57/81/55/489578155.db2.gz JQBDUYCJYKXKKH-CHWSQXEVSA-N 0 1 353.850 0.983 10 0 FCAEMN C[C@H]1CN(C(=O)CCn2cnc3ccccc3c2=O)[C@@H](C)CN1CCO ZINC000416292419 489578231 /nfs/dbraw/zinc/57/82/31/489578231.db2.gz ITOMVGBLHSTAJT-GJZGRUSLSA-N 0 1 358.442 0.700 10 0 FCAEMN COC(=O)C1(CNC(=O)N2CCN(C(=O)c3cc(C)[nH]n3)C[C@H]2C)CC1 ZINC000454831374 489579209 /nfs/dbraw/zinc/57/92/09/489579209.db2.gz YGQKRRSJASSQJX-GFCCVEGCSA-N 0 1 363.418 0.527 10 0 FCAEMN C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)Cn1cnc2sccc2c1=O ZINC000416300273 489579641 /nfs/dbraw/zinc/57/96/41/489579641.db2.gz TUGGTJAFFLIKSP-NWDGAFQWSA-N 0 1 350.444 0.372 10 0 FCAEMN CC(=O)N(CCc1ccccc1)CC(=O)N1C[C@H](C)N(CCO)C[C@H]1C ZINC000416310560 489582777 /nfs/dbraw/zinc/58/27/77/489582777.db2.gz OBIMDPLWJIYMHC-DLBZAZTESA-N 0 1 361.486 0.991 10 0 FCAEMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000372469558 489587446 /nfs/dbraw/zinc/58/74/46/489587446.db2.gz YPSDTUFXECTFMO-OAHLLOKOSA-N 0 1 355.442 1.482 10 0 FCAEMN COc1nn(C)cc1NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000455236726 489588991 /nfs/dbraw/zinc/58/89/91/489588991.db2.gz FDKFAFLJMVRBET-OAHLLOKOSA-N 0 1 359.430 0.969 10 0 FCAEMN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)N[C@H]1CCN(CCOC)C1 ZINC000372480833 489589400 /nfs/dbraw/zinc/58/94/00/489589400.db2.gz HLRUXTJQNAVNCG-SOUVJXGZSA-N 0 1 357.451 0.459 10 0 FCAEMN C[C@H]1CCCc2nc(S(=O)(=O)NCCCN3CCC(O)CC3)cn21 ZINC000416405148 489590084 /nfs/dbraw/zinc/59/00/84/489590084.db2.gz SEDRULWKNOAURM-ZDUSSCGKSA-N 0 1 356.492 0.906 10 0 FCAEMN CN(C)c1nc(N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc[nH+]1 ZINC000416450327 489593932 /nfs/dbraw/zinc/59/39/32/489593932.db2.gz XMIKFYVNTWCGQH-DZGCQCFKSA-N 0 1 355.398 1.381 10 0 FCAEMN COc1cc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)sc1S(N)(=O)=O ZINC000427270000 489600260 /nfs/dbraw/zinc/60/02/60/489600260.db2.gz PKIWDDUIPOOZAC-ZETCQYMHSA-N 0 1 358.445 0.797 10 0 FCAEMN CC(C)[C@@](C)(CO)NC(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC000427367427 489603968 /nfs/dbraw/zinc/60/39/68/489603968.db2.gz SDAPAVXJTQJLKI-CQSZACIVSA-N 0 1 350.387 0.766 10 0 FCAEMN O=C(Cn1ncc2ccccc21)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000372604764 489607099 /nfs/dbraw/zinc/60/70/99/489607099.db2.gz CRTBKILDXKXIQV-QGZVFWFLSA-N 0 1 357.458 0.559 10 0 FCAEMN Cc1ccn2ncc(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)c2n1 ZINC000372609511 489608505 /nfs/dbraw/zinc/60/85/05/489608505.db2.gz ZRFQGYCGYQYNBO-HNNXBMFYSA-N 0 1 358.446 0.174 10 0 FCAEMN O=C(CNC(=O)c1cc2c(s1)CCCC2)NCCN1CCC(O)CC1 ZINC000456592397 489620418 /nfs/dbraw/zinc/62/04/18/489620418.db2.gz YKZQDTGJNKOJKV-UHFFFAOYSA-N 0 1 365.499 0.930 10 0 FCAEMN O=C(NCCN1CCC(O)CC1)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000456581504 489620626 /nfs/dbraw/zinc/62/06/26/489620626.db2.gz AWVFVMKXQZWVIT-AWEZNQCLSA-N 0 1 367.396 0.891 10 0 FCAEMN CCN1CCN(CC(=O)N2CCN(CC(F)(F)F)C[C@H](C)C2)CC1 ZINC000456659719 489622104 /nfs/dbraw/zinc/62/21/04/489622104.db2.gz QUIFDHNQVFJWCM-AWEZNQCLSA-N 0 1 350.429 0.967 10 0 FCAEMN Cc1ccc(NC(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)cc1-n1cnnn1 ZINC000416770908 489629430 /nfs/dbraw/zinc/62/94/30/489629430.db2.gz YBAGRKIOAJGGNP-KGLIPLIRSA-N 0 1 359.434 0.890 10 0 FCAEMN CNC(=O)[C@@H](NC(=O)c1nc(C)n(-c2nnc(C(F)(F)F)[nH]2)n1)C(C)C ZINC000428211134 489642295 /nfs/dbraw/zinc/64/22/95/489642295.db2.gz KJTYWKSBZRLDMX-ZETCQYMHSA-N 0 1 374.327 0.213 10 0 FCAEMN CNS(=O)(=O)c1ccccc1N1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000428232719 489642452 /nfs/dbraw/zinc/64/24/52/489642452.db2.gz OHDYNQPKXKYPFN-UHFFFAOYSA-N 0 1 350.448 0.343 10 0 FCAEMN CN1CCN(c2cc(C(=O)N[C@@H]3C[C@@H]4CCCCN4C3=O)ccn2)CC1 ZINC000457275470 489643233 /nfs/dbraw/zinc/64/32/33/489643233.db2.gz MXGNWIWGMSYECR-JKSUJKDBSA-N 0 1 357.458 0.717 10 0 FCAEMN Cc1cc(C(=O)N2CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)[C@H](C)C2)n[nH]1 ZINC000457282255 489643780 /nfs/dbraw/zinc/64/37/80/489643780.db2.gz LKXIIWDNQTXAAX-CHWSQXEVSA-N 0 1 363.462 0.942 10 0 FCAEMN CCC(CC)[C@H](CNC(=O)NC[C@@H](O)Cn1ccnn1)N1CCOCC1 ZINC000457628562 489652848 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C[C@@H]1C[C@@H]1c1nnc2ccc(N3CCN(CCC(=O)N(C)C)CC3)nn21 ZINC000450389418 490462583 /nfs/dbraw/zinc/46/25/83/490462583.db2.gz NEVNSZDOJHFAJE-KGLIPLIRSA-N 0 1 357.462 0.848 10 0 FCAEMN Cn1cnc(-c2cccc(NC(=O)C(=O)N3CCN4CCC3CC4)c2)n1 ZINC000411461998 490466820 /nfs/dbraw/zinc/46/68/20/490466820.db2.gz QMNRGRDCDOGGRZ-UHFFFAOYSA-N 0 1 354.414 0.727 10 0 FCAEMN Cc1ccc([C@@H](C)NCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000411470803 490469689 /nfs/dbraw/zinc/46/96/89/490469689.db2.gz DFWNGHNBCQQOJL-DGCLKSJQSA-N 0 1 371.434 0.798 10 0 FCAEMN O=C(CCN1CCn2c(=O)[nH]nc2C1)Nc1ccc(N2CCCC2=O)cc1 ZINC000548445904 490487005 /nfs/dbraw/zinc/48/70/05/490487005.db2.gz AAZVRMQPWQPSAR-UHFFFAOYSA-N 0 1 370.413 0.955 10 0 FCAEMN CC(C)CN1CCO[C@H](CNC(=O)CN2CCO[C@@H](C3CCC3)C2)C1 ZINC000411863011 490487711 /nfs/dbraw/zinc/48/77/11/490487711.db2.gz PZIXJBDQPCRUQW-QZTJIDSGSA-N 0 1 353.507 0.960 10 0 FCAEMN COc1cc(CN(CCO)CCN2CCOCC2)cc2c1OCCO2 ZINC000510146658 490494684 /nfs/dbraw/zinc/49/46/84/490494684.db2.gz XIOBNSMIBJTMDH-UHFFFAOYSA-N 0 1 352.431 0.593 10 0 FCAEMN CCNC(=O)c1ccc(NCc2ccc(N3CCN(CC)CC3)nc2)nn1 ZINC000413060131 490496814 /nfs/dbraw/zinc/49/68/14/490496814.db2.gz MLDAQJJJOGXQMH-UHFFFAOYSA-N 0 1 369.473 1.375 10 0 FCAEMN C[C@@H]1C[C@H](NC(=O)C(=O)NCCCn2ccnn2)CN1Cc1ccccc1 ZINC000500292605 490500225 /nfs/dbraw/zinc/50/02/25/490500225.db2.gz TWFKWNNXASNIIN-WBVHZDCISA-N 0 1 370.457 0.564 10 0 FCAEMN O=C(N[C@H]1CCCn2ncnc21)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000571830856 491331642 /nfs/dbraw/zinc/33/16/42/491331642.db2.gz MPJHFEKCYNVIMH-HNNXBMFYSA-N 0 1 360.462 0.706 10 0 FCAEMN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(C)C[C@H](C(=O)OC)C1 ZINC000413919109 490518310 /nfs/dbraw/zinc/51/83/10/490518310.db2.gz MAEIHCLHFKIYBG-MELADBBJSA-N 0 1 371.503 0.497 10 0 FCAEMN COC(=O)[C@@H]1CN(C)CCN(C(=O)C[C@@H](NC(C)=O)c2ccccc2)C1 ZINC000413920212 490519487 /nfs/dbraw/zinc/51/94/87/490519487.db2.gz NCYYAEKPOZISGV-IAGOWNOFSA-N 0 1 361.442 0.817 10 0 FCAEMN CCOC(=O)[C@@H]1CN([C@@H](C)C(=O)N2CCN(CC)CC2)CC12COC2 ZINC000451138888 490519925 /nfs/dbraw/zinc/51/99/25/490519925.db2.gz REHNCJOMMHMLTN-GJZGRUSLSA-N 0 1 353.463 0.051 10 0 FCAEMN C[C@H](CNS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)N1CCCC1 ZINC000548698171 490532081 /nfs/dbraw/zinc/53/20/81/490532081.db2.gz XHHJNWXFXHGRCW-CQSZACIVSA-N 0 1 351.472 0.915 10 0 FCAEMN CCN1CCN(CC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)CC1 ZINC000535829429 490534851 /nfs/dbraw/zinc/53/48/51/490534851.db2.gz LWLHDPRNIYGZFX-HNNXBMFYSA-N 0 1 359.430 0.013 10 0 FCAEMN CN(C)[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cn1)c1cccc(F)c1 ZINC000535853373 490538195 /nfs/dbraw/zinc/53/81/95/490538195.db2.gz DKUMMKJCFSBKDB-OAHLLOKOSA-N 0 1 366.418 0.901 10 0 FCAEMN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC1(c2nn[nH]n2)CCCC1 ZINC000524576636 490544578 /nfs/dbraw/zinc/54/45/78/490544578.db2.gz SHXLDQJBQMSWMI-VXGBXAGGSA-N 0 1 360.418 0.651 10 0 FCAEMN Cn1nccc1CNC(=O)NCCCCN1CCN(c2ncccn2)CC1 ZINC000510900743 490547225 /nfs/dbraw/zinc/54/72/25/490547225.db2.gz FXUNFWWPZCEPTE-UHFFFAOYSA-N 0 1 372.477 0.612 10 0 FCAEMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC000548848615 490547991 /nfs/dbraw/zinc/54/79/91/490547991.db2.gz QDNRQLNPZDDDIN-KRWDZBQOSA-N 0 1 365.478 0.052 10 0 FCAEMN CCOCCOC[C@@H](O)CNC(=O)c1c[nH]c2cc(OC)ccc2c1=O ZINC000485643764 490550790 /nfs/dbraw/zinc/55/07/90/490550790.db2.gz MIYHEKURRUTYCJ-LBPRGKRZSA-N 0 1 364.398 0.681 10 0 FCAEMN COc1ccc([C@@H](CC(=O)NC[C@H]2CN(C)CCN2C)NC(C)=O)cc1 ZINC000524696621 490552029 /nfs/dbraw/zinc/55/20/29/490552029.db2.gz XAXVNDZUSPLXLR-FUHWJXTLSA-N 0 1 362.474 0.625 10 0 FCAEMN CN(C(=O)C(=O)NCc1ccc(OC(F)F)cn1)[C@H]1CCN(C2CC2)C1 ZINC000511095348 490561770 /nfs/dbraw/zinc/56/17/70/490561770.db2.gz NPKWPHBLHYBXOQ-ZDUSSCGKSA-N 0 1 368.384 0.994 10 0 FCAEMN CC[C@H](NC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)C1CCOCC1 ZINC000536365730 490572582 /nfs/dbraw/zinc/57/25/82/490572582.db2.gz MHIHNPMIDZYPLZ-ZDUSSCGKSA-N 0 1 373.413 0.922 10 0 FCAEMN NC(=O)N[C@H]1CCN(C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000536485815 490583258 /nfs/dbraw/zinc/58/32/58/490583258.db2.gz NPVJKQHEGRFIPS-NWDGAFQWSA-N 0 1 358.236 0.931 10 0 FCAEMN Cc1nc(CN2CCN(C(=O)C(=O)N3CCc4cc(F)ccc43)CC2)n[nH]1 ZINC000549697265 490594892 /nfs/dbraw/zinc/59/48/92/490594892.db2.gz WDRUSVRLXAJXCV-UHFFFAOYSA-N 0 1 372.404 0.486 10 0 FCAEMN C[C@@H]1C[C@H](CNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CCO1 ZINC000536622607 490598676 /nfs/dbraw/zinc/59/86/76/490598676.db2.gz KYQQWVNAUNJSQJ-NXEZZACHSA-N 0 1 359.386 0.532 10 0 FCAEMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)CC1(CO)CC1 ZINC000511607849 490606723 /nfs/dbraw/zinc/60/67/23/490606723.db2.gz BZCJARMWGXKMOP-DOTOQJQBSA-N 0 1 359.470 0.854 10 0 FCAEMN C[C@H]1C[C@H](NS(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CCN1C ZINC000501522211 490611874 /nfs/dbraw/zinc/61/18/74/490611874.db2.gz OPAYMVICUHLEMH-DZGCQCFKSA-N 0 1 351.472 0.913 10 0 FCAEMN C[C@@H]1CN(c2ncc(I)cn2)[C@H](C)CN1CCO ZINC000571985832 491341115 /nfs/dbraw/zinc/34/11/15/491341115.db2.gz WSRWBONEVOSEKE-NXEZZACHSA-N 0 1 362.215 0.973 10 0 FCAEMN Cn1nc(CC(=O)N2CCC[C@@H](c3nn[nH]n3)C2)c2ccccc2c1=O ZINC000537122599 490650521 /nfs/dbraw/zinc/65/05/21/490650521.db2.gz FNZRHDZSPQQJOE-LLVKDONJSA-N 0 1 353.386 0.395 10 0 FCAEMN C[C@H](O)CN1CCN(CC(=O)NCc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000501949303 490658800 /nfs/dbraw/zinc/65/88/00/490658800.db2.gz RHKWFMISICNGLR-SJORKVTESA-N 0 1 371.485 0.875 10 0 FCAEMN Cc1ccc(CN2CCCN(C(=O)CN(C)Cc3nnnn3C)CC2)cc1 ZINC000537249826 490663240 /nfs/dbraw/zinc/66/32/40/490663240.db2.gz XOGPICWQSRLTCW-UHFFFAOYSA-N 0 1 371.489 0.685 10 0 FCAEMN COc1ccc(COC[C@H](O)CN2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000512262685 490668650 /nfs/dbraw/zinc/66/86/50/490668650.db2.gz GDWFXXGXJJQXJQ-HUUCEWRRSA-N 0 1 358.460 0.326 10 0 FCAEMN COCCCN(CCOC)C(=O)c1cccc(N2CCN(C)CC2)n1 ZINC000502061110 490672783 /nfs/dbraw/zinc/67/27/83/490672783.db2.gz QQCDSPPGVMNBOU-UHFFFAOYSA-N 0 1 350.463 0.959 10 0 FCAEMN CCN(C(=O)c1cccc(N2CCN(C)CC2)n1)[C@H](C)CS(C)(=O)=O ZINC000502071345 490673909 /nfs/dbraw/zinc/67/39/09/490673909.db2.gz LZLBWFJMTHGRES-CQSZACIVSA-N 0 1 368.503 0.729 10 0 FCAEMN CN(C(=O)C(=O)NCc1cn(C)nc1C(F)(F)F)[C@@H]1CCN(C2CC2)C1 ZINC000512497879 490685840 /nfs/dbraw/zinc/68/58/40/490685840.db2.gz BZAHBAVHRXXWOZ-GFCCVEGCSA-N 0 1 373.379 0.750 10 0 FCAEMN CN(C(=O)C(=O)NCc1cn(C)nc1C(F)(F)F)[C@H]1CCN(C2CC2)C1 ZINC000512497880 490685912 /nfs/dbraw/zinc/68/59/12/490685912.db2.gz BZAHBAVHRXXWOZ-LBPRGKRZSA-N 0 1 373.379 0.750 10 0 FCAEMN CN1CCN(C)[C@@H](CNC(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000512673214 490692406 /nfs/dbraw/zinc/69/24/06/490692406.db2.gz NHOVKMKCYYLCTH-HNNXBMFYSA-N 0 1 372.469 0.815 10 0 FCAEMN CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NC2CCCC2)C1 ZINC000668337391 493334057 /nfs/dbraw/zinc/33/40/57/493334057.db2.gz XMJBVQYFMGJETI-GOSISDBHSA-N 0 1 358.486 0.978 10 0 FCAEMN COc1ccc(NS(=O)(=O)c2cc(C)cnc2N)cc1-n1cnnn1 ZINC000538012027 490704832 /nfs/dbraw/zinc/70/48/32/490704832.db2.gz JUWQORLHXKGVLS-UHFFFAOYSA-N 0 1 361.387 0.757 10 0 FCAEMN CCCn1c(=O)[nH]nc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000502635775 490713729 /nfs/dbraw/zinc/71/37/29/490713729.db2.gz PDAMMKVVZYMNBW-NWDGAFQWSA-N 0 1 372.447 0.337 10 0 FCAEMN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000557011730 491348960 /nfs/dbraw/zinc/34/89/60/491348960.db2.gz IGGKBYHPWWQIEV-OLZOCXBDSA-N 0 1 351.447 0.530 10 0 FCAEMN O=C(Cn1cc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)cn1)NC1CCCC1 ZINC000538226299 490720942 /nfs/dbraw/zinc/72/09/42/490720942.db2.gz OWEJKGNCLXDIHQ-LBPRGKRZSA-N 0 1 372.433 0.475 10 0 FCAEMN CN1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)cn2)[C@H]1c1ccccc1 ZINC000538423725 490732989 /nfs/dbraw/zinc/73/29/89/490732989.db2.gz KNFCMZJFNGGTNY-GOEBONIOSA-N 0 1 360.439 0.904 10 0 FCAEMN CN1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)cn2)[C@@H]1c1ccccc1 ZINC000538423726 490733160 /nfs/dbraw/zinc/73/31/60/490733160.db2.gz KNFCMZJFNGGTNY-HOCLYGCPSA-N 0 1 360.439 0.904 10 0 FCAEMN NS(=O)(=O)c1ccc(C(=O)NCCCCN2CCOCC2)c(F)c1 ZINC000538829247 490752399 /nfs/dbraw/zinc/75/23/99/490752399.db2.gz VDAAXYKWCBCOEY-UHFFFAOYSA-N 0 1 359.423 0.315 10 0 FCAEMN CC(C)CN1CCO[C@H](CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000527721617 490754928 /nfs/dbraw/zinc/75/49/28/490754928.db2.gz QDAAZNPPQNOZAL-LSDHHAIUSA-N 0 1 351.451 0.401 10 0 FCAEMN C[C@@H]1CN(CCCNC(=O)c2cn(C[C@@H]3CCOC3)nn2)C[C@H](C)O1 ZINC000527771706 490758781 /nfs/dbraw/zinc/75/87/81/490758781.db2.gz LYZVARIHVNGWFA-ZNMIVQPWSA-N 0 1 351.451 0.544 10 0 FCAEMN CN1CCN(c2ccc(NC(=O)c3cn(C[C@H]4CCOC4)nn3)cn2)CC1 ZINC000527779027 490759395 /nfs/dbraw/zinc/75/93/95/490759395.db2.gz DUBLOOGZKLFDQD-CQSZACIVSA-N 0 1 371.445 0.714 10 0 FCAEMN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCCC[C@@H]1CC(N)=O ZINC000503522433 490760389 /nfs/dbraw/zinc/76/03/89/490760389.db2.gz KVDUIWDPLYFXLS-IAGOWNOFSA-N 0 1 373.453 0.843 10 0 FCAEMN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCCC[C@@H]1CC(N)=O ZINC000503522435 490760637 /nfs/dbraw/zinc/76/06/37/490760637.db2.gz KVDUIWDPLYFXLS-SJORKVTESA-N 0 1 373.453 0.843 10 0 FCAEMN CS(=O)(=O)N1CC[C@H](CN2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000514080550 490761378 /nfs/dbraw/zinc/76/13/78/490761378.db2.gz UDZZYJPQHDPFAU-MRXNPFEDSA-N 0 1 353.488 0.791 10 0 FCAEMN CN1C2(CCC2)COC[C@]1(CO)CN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000527954697 490769136 /nfs/dbraw/zinc/76/91/36/490769136.db2.gz MKADSGOLDVBUTP-CRAIPNDOSA-N 0 1 358.446 0.495 10 0 FCAEMN O=C(N[C@H]1CCc2nc[nH]c2C1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000527955705 490769789 /nfs/dbraw/zinc/76/97/89/490769789.db2.gz YOXBCDRZXJJFLV-NSHDSACASA-N 0 1 353.448 0.086 10 0 FCAEMN C[C@@H](NCCS(=O)(=O)NC(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000539214718 490770536 /nfs/dbraw/zinc/77/05/36/490770536.db2.gz VTYVXDDMYQGTFV-LLVKDONJSA-N 0 1 363.505 0.703 10 0 FCAEMN Cc1cccc(CS(=O)(=O)N2CCN(C(=O)N3CCNCC3)CC2)c1 ZINC000528047130 490772510 /nfs/dbraw/zinc/77/25/10/490772510.db2.gz MXSFMOGBHSTSDF-UHFFFAOYSA-N 0 1 366.487 0.468 10 0 FCAEMN CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCN(C2CCC2)CC1 ZINC000565122373 491354290 /nfs/dbraw/zinc/35/42/90/491354290.db2.gz NIZLPIMQQRKRGE-HIFRSBDPSA-N 0 1 358.508 0.584 10 0 FCAEMN CC(C)C[C@H]1NC(=O)N(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)C1=O ZINC000503736850 490774288 /nfs/dbraw/zinc/77/42/88/490774288.db2.gz UUODMQZKBCGXJS-LSDHHAIUSA-N 0 1 368.478 0.426 10 0 FCAEMN C[C@H]1CN(C(=O)c2c3n(c(=O)n2C)CCCC3)CCN1CC(C)(C)O ZINC000514653881 490778590 /nfs/dbraw/zinc/77/85/90/490778590.db2.gz KCKNJIUWVWWGIR-ZDUSSCGKSA-N 0 1 350.463 0.440 10 0 FCAEMN Cn1nnc2ccc(C(=O)N3CCC[C@H](C(=O)N4CCNCC4)C3)cc21 ZINC000514672344 490780617 /nfs/dbraw/zinc/78/06/17/490780617.db2.gz XFDAJJZIDHLPHL-AWEZNQCLSA-N 0 1 356.430 0.252 10 0 FCAEMN CCCN1C[C@H](C(=O)N2CCN([C@@H]3CCNC(=O)CC3)CC2)CC1=O ZINC000514781417 490787803 /nfs/dbraw/zinc/78/78/03/490787803.db2.gz ZRHJULKPIWWXTR-CABCVRRESA-N 0 1 350.463 0.058 10 0 FCAEMN NS(=O)(=O)c1ccc(N2CCN(C[C@@H](O)CC3(O)CCC3)CC2)cc1 ZINC000528354325 490790556 /nfs/dbraw/zinc/79/05/56/490790556.db2.gz YIBYVVQPJHOZMJ-HNNXBMFYSA-N 0 1 369.487 0.122 10 0 FCAEMN Cn1ccnc1-c1cc(NC(=O)CNS(=O)(=O)c2ccccc2)[nH]n1 ZINC000514821754 490791078 /nfs/dbraw/zinc/79/10/78/490791078.db2.gz HVHYEZRMIVOKOS-UHFFFAOYSA-N 0 1 360.399 0.727 10 0 FCAEMN CN1CCN(c2cc(C(=O)N3CC[C@@H](S(C)(=O)=O)C3)ccn2)CC1 ZINC000504187174 490791548 /nfs/dbraw/zinc/79/15/48/490791548.db2.gz JXKSBGDVPXYFSA-CQSZACIVSA-N 0 1 352.460 0.093 10 0 FCAEMN CCOC(=O)C1CCN(C(=O)[C@H](C)N[C@H](C)C2(S(C)(=O)=O)CC2)CC1 ZINC000504402114 490798373 /nfs/dbraw/zinc/79/83/73/490798373.db2.gz VXWHLMKDGHELMT-QWHCGFSZSA-N 0 1 374.503 0.732 10 0 FCAEMN CN(C)[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)cn1)c1cccs1 ZINC000539928092 490801298 /nfs/dbraw/zinc/80/12/98/490801298.db2.gz DLBHUSAYADGCLT-LBPRGKRZSA-N 0 1 354.457 0.823 10 0 FCAEMN COc1ccccc1C[C@@H]1CCCN1C(=O)NCC(=O)N1CCNCC1 ZINC000515004941 490802761 /nfs/dbraw/zinc/80/27/61/490802761.db2.gz PMIAXIKKXJINKA-INIZCTEOSA-N 0 1 360.458 0.844 10 0 FCAEMN CCN1CCN(c2ccccc2NC(=O)NC[C@@H](C)S(N)(=O)=O)CC1 ZINC000504658389 490808336 /nfs/dbraw/zinc/80/83/36/490808336.db2.gz SZQOZPGDHDHENC-CYBMUJFWSA-N 0 1 369.491 0.627 10 0 FCAEMN O=S(=O)(NC[C@H]1CCN1C1CCCC1)c1cccc(-n2cnnn2)c1 ZINC000528555242 490809092 /nfs/dbraw/zinc/80/90/92/490809092.db2.gz WFWMZVDBFCJNIH-OAHLLOKOSA-N 0 1 362.459 0.958 10 0 FCAEMN CN(Cc1cnn(C)c1)C(=O)CN1CC2(CCOCC2)CC[C@@H]1CO ZINC000528641200 490816979 /nfs/dbraw/zinc/81/69/79/490816979.db2.gz RHCAWFHXSRZAJX-MRXNPFEDSA-N 0 1 350.463 0.632 10 0 FCAEMN Cn1cc(-c2cccc(NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)N4)c2)nn1 ZINC000515313004 490818207 /nfs/dbraw/zinc/81/82/07/490818207.db2.gz XOTPLSHNUHYQTR-GASCZTMLSA-N 0 1 354.414 0.774 10 0 FCAEMN CC(=O)Nc1cccc(NC(=O)N2CCN(C(=O)N3CCNCC3)CC2)c1 ZINC000528665891 490818221 /nfs/dbraw/zinc/81/82/21/490818221.db2.gz GXVXOKFJUSYRQS-UHFFFAOYSA-N 0 1 374.445 0.820 10 0 FCAEMN CC(C)Cn1cc(NC(=O)N2CCN(C(=O)N3CCNCC3)CC2)cn1 ZINC000528678911 490818604 /nfs/dbraw/zinc/81/86/04/490818604.db2.gz IJTYLLISFRHKSU-UHFFFAOYSA-N 0 1 363.466 0.714 10 0 FCAEMN Cc1ccc(NC(=O)NC[C@@H]2COCCN2)cc1C(=O)N1CCOCC1 ZINC000528685805 490819505 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Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CCCO[C@H]3CCOC3)[C@@H]2C)c1[O-] ZINC001264696554 859423774 /nfs/dbraw/zinc/42/37/74/859423774.db2.gz VWCKFVKJVLDQOP-RDBSUJKOSA-N 0 1 352.435 0.812 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)c2csnn2)CCN1CCCS(=O)(=O)N(C)C ZINC001264712324 859433179 /nfs/dbraw/zinc/43/31/79/859433179.db2.gz BIYNDNIKGOPNGQ-MNOVXSKESA-N 0 1 361.493 0.012 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)CC(=O)NCC(F)(F)F)CCN1Cc1cnn(C)c1 ZINC001264725170 859442061 /nfs/dbraw/zinc/44/20/61/859442061.db2.gz XHDXIRIOIQBKGJ-PWSUYJOCSA-N 0 1 361.368 0.568 10 0 FCAEMN CCS(=O)(=O)NCCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001265303371 859457127 /nfs/dbraw/zinc/45/71/27/859457127.db2.gz HBRRLQOYRIMITK-RRFJBIMHSA-N 0 1 369.487 0.903 10 0 FCAEMN Cc1nc(CN(C)CCNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)n[nH]1 ZINC001266288859 859476654 /nfs/dbraw/zinc/47/66/54/859476654.db2.gz SDBDTDQAIXCEAM-MNOVXSKESA-N 0 1 351.329 0.007 10 0 FCAEMN CCS(=O)(=O)NCCCN1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001266331397 859479021 /nfs/dbraw/zinc/47/90/21/859479021.db2.gz PLYINDRYOGGTCL-XUWVNRHRSA-N 0 1 373.519 0.321 10 0 FCAEMN O=C(NCCN(CCN1CCNC1=O)C1CC1)[C@@H]1CCO[C@H]1C1CC1 ZINC001266602686 859485923 /nfs/dbraw/zinc/48/59/23/859485923.db2.gz PFJJFEROGYMJRT-CVEARBPZSA-N 0 1 350.463 0.407 10 0 FCAEMN CC[C@@H]1CCO[C@@H]1C(=O)N(C)CCNCC(=O)Nc1nnc(C)s1 ZINC001266730610 859489435 /nfs/dbraw/zinc/48/94/35/859489435.db2.gz ACABOPZFKDUQLW-YPMHNXCESA-N 0 1 355.464 0.648 10 0 FCAEMN C[C@H](CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)NCc1csc(Cl)n1 ZINC001267145631 859497911 /nfs/dbraw/zinc/49/79/11/859497911.db2.gz RTWYGEUUYTWCCG-DVVUODLYSA-N 0 1 360.867 0.814 10 0 FCAEMN CS(=O)(=O)CCN1CC[C@@H](CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001267562761 859508974 /nfs/dbraw/zinc/50/89/74/859508974.db2.gz ZNLOZBGKZMIIAN-RDGWLKQMSA-N 0 1 356.488 0.283 10 0 FCAEMN C[C@@](CNCC(=O)Nc1nncs1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001267852366 859518664 /nfs/dbraw/zinc/51/86/64/859518664.db2.gz CYLOYPCCQFFXOI-UVBJJODRSA-N 0 1 365.459 0.388 10 0 FCAEMN Cc1cc(CNC[C@@H](C)N(C)C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)on1 ZINC001268074025 859523797 /nfs/dbraw/zinc/52/37/97/859523797.db2.gz FKQJIRRWUXXILJ-NFAWXSAZSA-N 0 1 352.435 0.733 10 0 FCAEMN Cc1nnsc1CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001268314176 859529215 /nfs/dbraw/zinc/52/92/15/859529215.db2.gz IXJBWZIFNXRXEV-HZSPNIEDSA-N 0 1 354.476 0.476 10 0 FCAEMN Cc1nc(CNC[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)sc1C(C)(C)C ZINC001268319980 859529230 /nfs/dbraw/zinc/52/92/30/859529230.db2.gz DDFAGMIAOKYLQX-TUAOUCFPSA-N 0 1 368.503 0.437 10 0 FCAEMN CC[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNCc1cc(=O)n2nc(C)sc2n1 ZINC001268319859 859529796 /nfs/dbraw/zinc/52/97/96/859529796.db2.gz BCBUUYHKIFXYMG-RAIGVLPGSA-N 0 1 365.459 0.072 10 0 FCAEMN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](O)CNCc2cc(O)ccc2Cl)C1 ZINC001268322705 859530675 /nfs/dbraw/zinc/53/06/75/859530675.db2.gz TVNNLMIAPHLWKW-UHIISALHSA-N 0 1 369.849 0.514 10 0 FCAEMN CCN(CCNCC(=O)N(C)c1nccs1)C(=O)[C@]12C[C@H]1COC2 ZINC001268451717 859533009 /nfs/dbraw/zinc/53/30/09/859533009.db2.gz PEWUELXYPLPHSW-LRDDRELGSA-N 0 1 352.460 0.581 10 0 FCAEMN CS(=O)(=O)c1ccc(CNC/C=C\CNC(=O)[C@]23C[C@H]2COC3)cc1 ZINC001268542297 859534837 /nfs/dbraw/zinc/53/48/37/859534837.db2.gz OLBGMPVASVNLPE-BVBZKVNYSA-N 0 1 364.467 0.889 10 0 FCAEMN CC[C@@H]1OCC[C@H]1C(=O)NC/C=C\CNCC(=O)Nc1cc(C)on1 ZINC001268570814 859535037 /nfs/dbraw/zinc/53/50/37/859535037.db2.gz QYDHHMWYWFVNSE-VSVUCHCSSA-N 0 1 350.419 0.999 10 0 FCAEMN CCOc1cccc(CNC[C@@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC001268662339 859537128 /nfs/dbraw/zinc/53/71/28/859537128.db2.gz HPYXLZBZZWFXKL-KWCYVHTRSA-N 0 1 350.419 0.108 10 0 FCAEMN Cn1cc(Cl)c(CNCCC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 ZINC001269908694 859602578 /nfs/dbraw/zinc/60/25/78/859602578.db2.gz UUYXFUOZZTZHRC-OLZOCXBDSA-N 0 1 367.881 0.913 10 0 FCAEMN C[C@H](CNCc1ccc(F)cc1F)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001271102483 859898847 /nfs/dbraw/zinc/89/88/47/859898847.db2.gz QVMYRWSXWXWUJF-WKPIXPDZSA-N 0 1 355.385 0.934 10 0 FCAEMN CC[C@@H]1OCC[C@H]1C(=O)NC[C@]1(O)CCN(CCn2cc(Cl)cn2)C1 ZINC001271167980 859909078 /nfs/dbraw/zinc/90/90/78/859909078.db2.gz SZTDFLDTIJMLLF-HLLBOEOZSA-N 0 1 370.881 0.905 10 0 FCAEMN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](O)CNCc2cccc(F)c2F)C1 ZINC001272521256 860173604 /nfs/dbraw/zinc/17/36/04/860173604.db2.gz OTCCBWBLKBTJNB-MDZLAQPJSA-N 0 1 355.385 0.433 10 0 FCAEMN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCC[C@](CO)(NCc2csnn2)C1 ZINC001273886671 860626371 /nfs/dbraw/zinc/62/63/71/860626371.db2.gz WKIJJDBCSPQNHT-IOASZLSFSA-N 0 1 362.459 0.508 10 0 FCAEMN O=C(NC1(CO)CCN(CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1C1CC1 ZINC001274929825 860873048 /nfs/dbraw/zinc/87/30/48/860873048.db2.gz KFXHHGNGSRNSMG-LSDHHAIUSA-N 0 1 350.463 0.001 10 0 FCAEMN CC(C)=C(F)C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001280559402 863436616 /nfs/dbraw/zinc/43/66/16/863436616.db2.gz FSQROIGSCUWIRW-VXGBXAGGSA-N 0 1 350.394 0.856 10 0 FCAEMN CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@](CO)(NCc2cnn(C)c2)C1 ZINC001281142424 863490667 /nfs/dbraw/zinc/49/06/67/863490667.db2.gz DIHZUCYIMJHOKN-RYRKJORJSA-N 0 1 350.463 0.678 10 0 FCAEMN CC(C)C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)CN(C)C(=O)Cc1ncn[nH]1 ZINC001281281884 863508299 /nfs/dbraw/zinc/50/82/99/863508299.db2.gz WOKYTRUMDXRXJY-HZSPNIEDSA-N 0 1 351.451 0.307 10 0 FCAEMN Cc1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)CCc3nc[nH]n3)C2)s1 ZINC001281654000 863585668 /nfs/dbraw/zinc/58/56/68/863585668.db2.gz JDVHUJCPLZSGLJ-CHWSQXEVSA-N 0 1 363.443 0.038 10 0 FCAEMN COCC(C)(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001281684858 863625326 /nfs/dbraw/zinc/62/53/26/863625326.db2.gz QLISJXJZIXIJHY-HUUCEWRRSA-N 0 1 355.479 0.221 10 0 FCAEMN CCCCCCOCC(=O)N[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1O ZINC001281700788 863654885 /nfs/dbraw/zinc/65/48/85/863654885.db2.gz QFIJXALFXAQKJB-HUUCEWRRSA-N 0 1 352.435 0.617 10 0 FCAEMN CO[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1O)C1CCCC1 ZINC001281703175 863656934 /nfs/dbraw/zinc/65/69/34/863656934.db2.gz LVAGWPOKOQFFRO-RBSFLKMASA-N 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ZINC001281821609 863773719 /nfs/dbraw/zinc/77/37/19/863773719.db2.gz AWQRUVWWHXPHBP-NUEKZKHPSA-N 0 1 353.463 0.239 10 0 FCAEMN CO[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1NC(=O)[C@H](C)C(F)(F)F ZINC001281850141 863822597 /nfs/dbraw/zinc/82/25/97/863822597.db2.gz UZZNASXFKSJOBN-MVWJERBFSA-N 0 1 362.352 0.883 10 0 FCAEMN CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)C[C@H](C)C(F)(F)F ZINC001281853713 863825886 /nfs/dbraw/zinc/82/58/86/863825886.db2.gz JMCJDAJZICRLGX-MVWJERBFSA-N 0 1 362.352 0.883 10 0 FCAEMN CO[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1NC(=O)CC(F)(F)C(F)F ZINC001281861665 863838266 /nfs/dbraw/zinc/83/82/66/863838266.db2.gz IWLOBVBHCBBDLX-NXEZZACHSA-N 0 1 366.315 0.585 10 0 FCAEMN CSC[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cccc3c[nH]nc32)C[C@@H]1O ZINC001281875214 863867623 /nfs/dbraw/zinc/86/76/23/863867623.db2.gz VYHWOGBQTJDNEK-GDLCADMTSA-N 0 1 362.455 0.864 10 0 FCAEMN CCO[C@H](CC(=O)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1O)C(C)C ZINC001281898471 863908842 /nfs/dbraw/zinc/90/88/42/863908842.db2.gz DWOPDUHHGJNUFE-OWCLPIDISA-N 0 1 355.479 0.221 10 0 FCAEMN CCCSCC(=O)N1C[C@@H](NC(=O)c2[nH]nc3c2CCCC3)[C@@H](O)C1 ZINC001281905909 863924726 /nfs/dbraw/zinc/92/47/26/863924726.db2.gz JUZCMGXXANEDIW-KGLIPLIRSA-N 0 1 366.487 0.733 10 0 FCAEMN COC(=O)NCC(=O)NC[C@H]1CC[C@@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001282104275 864056750 /nfs/dbraw/zinc/05/67/50/864056750.db2.gz XINGJFNETYRISP-NWDGAFQWSA-N 0 1 351.407 0.018 10 0 FCAEMN CC[C@H](C)OCC(=O)NC[C@H]1CC[C@@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001282111705 864061645 /nfs/dbraw/zinc/06/16/45/864061645.db2.gz WDPFNHRYPYGQNA-FPMFFAJLSA-N 0 1 351.451 0.872 10 0 FCAEMN CS(=O)(=O)CCCC(=O)NC[C@H]1CC[C@@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001282136411 864076676 /nfs/dbraw/zinc/07/66/76/864076676.db2.gz NSKNEFDOOYAMOK-QWHCGFSZSA-N 0 1 370.475 0.178 10 0 FCAEMN CCO[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1CNC(=O)C(C)(C)CC ZINC001282188620 864110023 /nfs/dbraw/zinc/11/00/23/864110023.db2.gz BRLWMBZABHGVFW-CHWSQXEVSA-N 0 1 351.451 0.763 10 0 FCAEMN 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C[C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)[C@@H](C)CN1CCO ZINC000416300272 489579499 /nfs/dbraw/zinc/57/94/99/489579499.db2.gz TUGGTJAFFLIKSP-NEPJUHHUSA-N 0 1 350.444 0.372 10 0 FCAEMN C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)CCNS(=O)(=O)c1ccccc1 ZINC000416297721 489580006 /nfs/dbraw/zinc/58/00/06/489580006.db2.gz PZCVZURFOGRACX-LSDHHAIUSA-N 0 1 369.487 0.269 10 0 FCAEMN C[C@H]1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)[C@@H](C)CN1CCO ZINC000416301765 489581031 /nfs/dbraw/zinc/58/10/31/489581031.db2.gz VVSCEEIUFKPPBG-KBPBESRZSA-N 0 1 359.426 0.586 10 0 FCAEMN C[C@@H]1CN(C(=O)Cc2cccc(NS(C)(=O)=O)c2)[C@@H](C)CN1CCO ZINC000416303935 489581306 /nfs/dbraw/zinc/58/13/06/489581306.db2.gz YKQSABXZUFOSDG-KGLIPLIRSA-N 0 1 369.487 0.514 10 0 FCAEMN C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)CCn1nnc2ccccc2c1=O ZINC000416304256 489581832 /nfs/dbraw/zinc/58/18/32/489581832.db2.gz YUQBOPPDKNSQPN-UONOGXRCSA-N 0 1 359.430 0.095 10 0 FCAEMN Cc1ccc(C(=O)NCCC(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)c(O)c1 ZINC000416305499 489581860 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/nfs/dbraw/zinc/06/11/53/493061153.db2.gz PUQOKIJBJXVEMM-HUUCEWRRSA-N 0 1 350.463 0.010 10 0 FCAEMN CCN(C(=O)C(=O)N1CCC(OC[C@@H]2CCOC2)CC1)[C@H]1CCN(C)C1 ZINC000658803297 493061371 /nfs/dbraw/zinc/06/13/71/493061371.db2.gz RDWGEOSYAMCHAB-CVEARBPZSA-N 0 1 367.490 0.583 10 0 FCAEMN CCO[C@H](C)c1noc(CN(C)C(=O)C(=O)N(CC)[C@@H]2CCN(C)C2)n1 ZINC000658804473 493061454 /nfs/dbraw/zinc/06/14/54/493061454.db2.gz WTRVAZXCPIGIQM-CHWSQXEVSA-N 0 1 367.450 0.678 10 0 FCAEMN CCN(C(=O)C(=O)N1CCN(c2nc(C)cs2)CC1)[C@@H]1CCN(C)C1 ZINC000658806938 493063265 /nfs/dbraw/zinc/06/32/65/493063265.db2.gz LDQMPPHNWZVRSJ-CQSZACIVSA-N 0 1 365.503 0.653 10 0 FCAEMN CN1NN=C2C1=NCC[C@H]2C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000646602940 493066526 /nfs/dbraw/zinc/06/65/26/493066526.db2.gz LDCQLMNESQTYBT-MRXNPFEDSA-N 0 1 354.458 0.945 10 0 FCAEMN C[C@H](CNC(=O)N1CCN(C(=O)N2CCNCC2)CC1)c1ccncc1 ZINC000626995167 493076682 /nfs/dbraw/zinc/07/66/82/493076682.db2.gz OPDXXKBTBSEGIS-OAHLLOKOSA-N 0 1 360.462 0.538 10 0 FCAEMN C[C@@H](C[C@@H]1CCOC1)NC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000626999697 493077439 /nfs/dbraw/zinc/07/74/39/493077439.db2.gz JTSCSHUDVJCTDT-GJZGRUSLSA-N 0 1 353.467 0.154 10 0 FCAEMN CC(C)(CCCO)CNC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000627009674 493080318 /nfs/dbraw/zinc/08/03/18/493080318.db2.gz RYVCWBAQOAUJSY-UHFFFAOYSA-N 0 1 355.483 0.138 10 0 FCAEMN COCC(C)(C)CCCNC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000627037364 493083789 /nfs/dbraw/zinc/08/37/89/493083789.db2.gz JQIDKDIGTQSYOI-UHFFFAOYSA-N 0 1 369.510 0.792 10 0 FCAEMN CCOCC(C)(C)CNC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000627039607 493083842 /nfs/dbraw/zinc/08/38/42/493083842.db2.gz KXHVICYZNWNSMM-UHFFFAOYSA-N 0 1 355.483 0.402 10 0 FCAEMN CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCCCCN1CCOCC1 ZINC000646682550 493083827 /nfs/dbraw/zinc/08/38/27/493083827.db2.gz BPYRGKHSKTUKBG-OAHLLOKOSA-N 0 1 361.508 0.321 10 0 FCAEMN O=C(Nc1cnn(-c2ccncc2)c1)C(=O)N1CCO[C@]2(CCSC2)C1 ZINC000646694024 493086275 /nfs/dbraw/zinc/08/62/75/493086275.db2.gz AXEPWKZLBRLSRE-QGZVFWFLSA-N 0 1 373.438 0.940 10 0 FCAEMN C[C@H](COCC1CC1)NC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000627112318 493089254 /nfs/dbraw/zinc/08/92/54/493089254.db2.gz WQBRTTXZYBYPKI-CQSZACIVSA-N 0 1 353.467 0.154 10 0 FCAEMN CCC[C@H](CNC(=O)N1CCN(C(=O)N2CCNCC2)CC1)OCC ZINC000627125070 493091528 /nfs/dbraw/zinc/09/15/28/493091528.db2.gz ORKKDAHBGGTKMP-OAHLLOKOSA-N 0 1 355.483 0.544 10 0 FCAEMN O=C(N[C@@H]1CCN(c2ccc3nncn3n2)C1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000627145665 493095546 /nfs/dbraw/zinc/09/55/46/493095546.db2.gz CKBGAEFXXTUVDV-HZSPNIEDSA-N 0 1 356.434 0.239 10 0 FCAEMN CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000658881432 493097267 /nfs/dbraw/zinc/09/72/67/493097267.db2.gz ZPZRHXXNKTWKEB-ZIAGYGMSSA-N 0 1 367.494 0.190 10 0 FCAEMN CCn1nc(C)cc1NC(=O)C(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000627178071 493101519 /nfs/dbraw/zinc/10/15/19/493101519.db2.gz VMGDFQRKHPJCMX-OAHLLOKOSA-N 0 1 364.494 0.538 10 0 FCAEMN CCn1nc(C)cc1NC(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000627178070 493101620 /nfs/dbraw/zinc/10/16/20/493101620.db2.gz VMGDFQRKHPJCMX-HNNXBMFYSA-N 0 1 364.494 0.538 10 0 FCAEMN CCn1nc(C)cc1NC(=O)C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000627178626 493101911 /nfs/dbraw/zinc/10/19/11/493101911.db2.gz UZJFBLYFXVUPKR-KBPBESRZSA-N 0 1 351.451 0.765 10 0 FCAEMN CCn1nc(C)cc1NC(=O)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000627232831 493113004 /nfs/dbraw/zinc/11/30/04/493113004.db2.gz LOUAAWZZEPVOJK-UHFFFAOYSA-N 0 1 363.462 0.721 10 0 FCAEMN COCCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000653389052 493113834 /nfs/dbraw/zinc/11/38/34/493113834.db2.gz SKMSJCBQLGHTST-IAGOWNOFSA-N 0 1 367.490 0.535 10 0 FCAEMN C[C@H]1CN(C(=O)C(=O)NC[C@H]2CN(C)CCN2C)CCc2ccccc21 ZINC000653397655 493119875 /nfs/dbraw/zinc/11/98/75/493119875.db2.gz YLHPKYOEDMGKED-RDJZCZTQSA-N 0 1 358.486 0.537 10 0 FCAEMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N[C@@H]1CCCn2nccc21 ZINC000633091101 493121365 /nfs/dbraw/zinc/12/13/65/493121365.db2.gz OSSASGLCVQZITN-HZPDHXFCSA-N 0 1 362.478 0.424 10 0 FCAEMN C[C@H]1C(=O)N(C)CN1C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000646910660 493124036 /nfs/dbraw/zinc/12/40/36/493124036.db2.gz BXUZIKJOFOYESL-FZMZJTMJSA-N 0 1 360.414 0.657 10 0 FCAEMN CC(C)[C@H]1CN(C(=O)C(=O)N2CCc3nnn(C4CC(C)C4)c3C2)CCN1 ZINC000633104063 493127103 /nfs/dbraw/zinc/12/71/03/493127103.db2.gz ATCMIZMQXSFZNO-ZBCRRDGASA-N 0 1 374.489 0.590 10 0 FCAEMN C[C@@H]1C[C@H](NC(=O)C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)CN1C1CC1 ZINC000653426557 493132171 /nfs/dbraw/zinc/13/21/71/493132171.db2.gz SREYDQHISYOXKV-AYRXBEOTSA-N 0 1 351.447 0.133 10 0 FCAEMN C[C@H](NC(=O)C(=O)N[C@@H]1CCCc2c1ccc(=O)n2C)C1=CC[N@@H+](C)CC1 ZINC000653429626 493133654 /nfs/dbraw/zinc/13/36/54/493133654.db2.gz JKHBVTAQHUYWSM-XJKSGUPXSA-N 0 1 372.469 0.646 10 0 FCAEMN C[C@@H](NC(=O)C(=O)NC[C@@H]1COCCN1)c1ccccc1-n1cccn1 ZINC000627295925 493139165 /nfs/dbraw/zinc/13/91/65/493139165.db2.gz QZXLICLDETWAQG-ZIAGYGMSSA-N 0 1 357.414 0.154 10 0 FCAEMN CCCN(C(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1CCN(C)C1 ZINC000646997311 493143491 /nfs/dbraw/zinc/14/34/91/493143491.db2.gz AECKFNAJAVLNFB-CVEARBPZSA-N 0 1 374.489 0.504 10 0 FCAEMN CCCN(C(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1CCN(C)C1 ZINC000646997313 493143866 /nfs/dbraw/zinc/14/38/66/493143866.db2.gz AECKFNAJAVLNFB-HZPDHXFCSA-N 0 1 374.489 0.504 10 0 FCAEMN CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)[C@H](C)C1 ZINC000659083406 493144798 /nfs/dbraw/zinc/14/47/98/493144798.db2.gz MHROCIMQDQKBCG-PBHICJAKSA-N 0 1 360.458 0.839 10 0 FCAEMN CN1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000647017832 493145416 /nfs/dbraw/zinc/14/54/16/493145416.db2.gz BTFSPBUXNHYQJP-DJIMGWMZSA-N 0 1 371.485 0.754 10 0 FCAEMN CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CCN(C)C3=O)CCN1 ZINC000659086200 493146445 /nfs/dbraw/zinc/14/64/45/493146445.db2.gz RNDWIZZVTRJKDC-MRXNPFEDSA-N 0 1 358.442 0.710 10 0 FCAEMN Cc1nccn1-c1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2COCCN2)cc1 ZINC000627314350 493147717 /nfs/dbraw/zinc/14/77/17/493147717.db2.gz ADGLJHGNURXECL-XJKSGUPXSA-N 0 1 371.441 0.463 10 0 FCAEMN C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000647036751 493151192 /nfs/dbraw/zinc/15/11/92/493151192.db2.gz SEXKQAUSIFQOKU-HOCLYGCPSA-N 0 1 358.442 0.414 10 0 FCAEMN COc1c(C)cc(Cl)cc1NC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000627324220 493153168 /nfs/dbraw/zinc/15/31/68/493153168.db2.gz UGSCFGANZQDZCH-ZDUSSCGKSA-N 0 1 368.865 0.958 10 0 FCAEMN Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)n1 ZINC000659108050 493156809 /nfs/dbraw/zinc/15/68/09/493156809.db2.gz HGCQHAMJNIZRFE-CHWSQXEVSA-N 0 1 360.393 0.720 10 0 FCAEMN Cc1c(NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)cccc1N1CCNC1=O ZINC000659108350 493156854 /nfs/dbraw/zinc/15/68/54/493156854.db2.gz LPYKLZMVMYGGSL-VXGBXAGGSA-N 0 1 363.393 0.361 10 0 FCAEMN COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659110453 493158407 /nfs/dbraw/zinc/15/84/07/493158407.db2.gz ISEYOWOWJYCZHV-VXGBXAGGSA-N 0 1 352.366 0.490 10 0 FCAEMN CC(C)[C@H](NC(=O)C(=O)N1CCNC[C@@H]1C(C)C)c1nnc2ccccn21 ZINC000627353828 493171609 /nfs/dbraw/zinc/17/16/09/493171609.db2.gz LNMJNWAVKLFJNS-ZBFHGGJFSA-N 0 1 372.473 0.999 10 0 FCAEMN CCN(CC)CCN(CCOC)C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000666383938 493175280 /nfs/dbraw/zinc/17/52/80/493175280.db2.gz FNWBVIIAWHMKBW-CABCVRRESA-N 0 1 363.524 0.952 10 0 FCAEMN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@@H](N)COC(C)C ZINC000659264358 493179909 /nfs/dbraw/zinc/17/99/09/493179909.db2.gz YXUYHXIQRURRDI-AWEZNQCLSA-N 0 1 365.430 0.858 10 0 FCAEMN CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2n[nH]cc2C(F)(F)F)C1 ZINC000633698561 493184837 /nfs/dbraw/zinc/18/48/37/493184837.db2.gz DAQKMUQYGBIIQL-MRVPVSSYSA-N 0 1 354.354 0.830 10 0 FCAEMN O=C(NCc1csc(-c2ccccc2)n1)C(=O)NC[C@@H]1COCCN1 ZINC000627377768 493187775 /nfs/dbraw/zinc/18/77/75/493187775.db2.gz RMSWHCOPJLEPGU-CYBMUJFWSA-N 0 1 360.439 0.531 10 0 FCAEMN CS(=O)(=O)[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000659335644 493191365 /nfs/dbraw/zinc/19/13/65/493191365.db2.gz BIWHHVSDLJMQON-FRRDWIJNSA-N 0 1 364.389 0.990 10 0 FCAEMN CC[C@H](NCC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O)[C@H]1CCCCO1 ZINC000653877179 493192823 /nfs/dbraw/zinc/19/28/23/493192823.db2.gz PSWCMQCTFTUVLE-WCQYABFASA-N 0 1 368.434 0.298 10 0 FCAEMN C[C@H]1OCC[C@H]1c1nnc(N2CCN(CCC(=O)N(C)C)CC2)n1C ZINC000647358330 493196189 /nfs/dbraw/zinc/19/61/89/493196189.db2.gz PRGZIWBTZPCFEV-ZIAGYGMSSA-N 0 1 350.467 0.308 10 0 FCAEMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CCO[C@H](C2CC2)C1 ZINC000681608603 493196717 /nfs/dbraw/zinc/19/67/17/493196717.db2.gz DSRFGPFOJUKXIA-SJORKVTESA-N 0 1 352.479 0.213 10 0 FCAEMN CC(C)CN1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000647368118 493197680 /nfs/dbraw/zinc/19/76/80/493197680.db2.gz WVMHXUBGYCKLTJ-ARFHVFGLSA-N 0 1 355.479 0.502 10 0 FCAEMN CC(C)CN1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)C1 ZINC000647368118 493197684 /nfs/dbraw/zinc/19/76/84/493197684.db2.gz WVMHXUBGYCKLTJ-ARFHVFGLSA-N 0 1 355.479 0.502 10 0 FCAEMN C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1cn(C)nc1-c1ccco1 ZINC000627390730 493198157 /nfs/dbraw/zinc/19/81/57/493198157.db2.gz VROIUPOUAKJWOV-ZDUSSCGKSA-N 0 1 374.445 0.371 10 0 FCAEMN CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CCN(CCC(=O)N(C)C)CC1 ZINC000647385491 493198507 /nfs/dbraw/zinc/19/85/07/493198507.db2.gz ONUFPHLZJMHTDB-LSDHHAIUSA-N 0 1 364.494 0.791 10 0 FCAEMN Cc1cc(CNC(=O)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)n[nH]1 ZINC000672541058 493200575 /nfs/dbraw/zinc/20/05/75/493200575.db2.gz PFKNKNOCTOJLEZ-UHFFFAOYSA-N 0 1 357.418 0.284 10 0 FCAEMN CCN1CCN(c2ccc(CNC(=O)[C@H](OC)[C@H]3CCOC3)cn2)CC1 ZINC000666537114 493201623 /nfs/dbraw/zinc/20/16/23/493201623.db2.gz MEQVITUELNPJEO-FUHWJXTLSA-N 0 1 362.474 0.891 10 0 FCAEMN COc1ccnc(CNC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1F ZINC000666636432 493209336 /nfs/dbraw/zinc/20/93/36/493209336.db2.gz SVMRHGZINWLALO-KBPBESRZSA-N 0 1 352.410 0.970 10 0 FCAEMN C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)C[C@H](C)O1 ZINC000659643969 493228068 /nfs/dbraw/zinc/22/80/68/493228068.db2.gz IPANOVOSQDKGAG-STQMWFEESA-N 0 1 369.462 0.362 10 0 FCAEMN CC(C)C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)CC(=O)[O-] ZINC000659666787 493241194 /nfs/dbraw/zinc/24/11/94/493241194.db2.gz VHTZPUPDUZYGFZ-DZGCQCFKSA-N 0 1 353.463 0.935 10 0 FCAEMN Cc1cc(C[C@H](C)NC(=O)C(=O)N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n[nH]1 ZINC000672747207 493243435 /nfs/dbraw/zinc/24/34/35/493243435.db2.gz MDSMTTDZWCZZKB-PTOFAABTSA-N 0 1 362.352 0.944 10 0 FCAEMN Cc1cc(C[C@H](C)NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n[nH]1 ZINC000672747210 493243732 /nfs/dbraw/zinc/24/37/32/493243732.db2.gz MDSMTTDZWCZZKB-XRNSZHNASA-N 0 1 362.352 0.944 10 0 FCAEMN N[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)CC[C@H]1F ZINC000659672414 493244082 /nfs/dbraw/zinc/24/40/82/493244082.db2.gz VOQGFESDBXBMAG-FVQBIDKESA-N 0 1 366.412 0.808 10 0 FCAEMN Cc1ccc2nc(CNC(=O)C(=O)N3CCC(OCCCO)CC3)[nH]c2c1 ZINC000672752001 493244936 /nfs/dbraw/zinc/24/49/36/493244936.db2.gz 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489506377 /nfs/dbraw/zinc/50/63/77/489506377.db2.gz VZRVBACDXSCYSE-RBSFLKMASA-N 0 1 366.506 0.595 10 0 FCAEMN CN(C(=O)C(=O)N1CCNC(C)(C)C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000423257872 489507704 /nfs/dbraw/zinc/50/77/04/489507704.db2.gz AKUAJJJTVQAYSH-OAHLLOKOSA-N 0 1 358.442 0.461 10 0 FCAEMN COc1cccc([C@H]2CN(C(=O)C(=O)N3C[C@@H](C)N[C@@H](C)C3)CCO2)c1 ZINC000423263673 489509201 /nfs/dbraw/zinc/50/92/01/489509201.db2.gz XLJCVJFBHHKOMP-JKIFEVAISA-N 0 1 361.442 0.804 10 0 FCAEMN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000371813443 489512542 /nfs/dbraw/zinc/51/25/42/489512542.db2.gz DFTPDVGZIHPWCD-AWEZNQCLSA-N 0 1 372.425 0.283 10 0 FCAEMN COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)NC[C@@H]1CCCCN1CCO ZINC000451666097 489515987 /nfs/dbraw/zinc/51/59/87/489515987.db2.gz FWHIIURXUDMPSA-RRFJBIMHSA-N 0 1 362.492 0.484 10 0 FCAEMN Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000415558736 489529656 /nfs/dbraw/zinc/52/96/56/489529656.db2.gz JVJLKPGPDZWHFI-NWDGAFQWSA-N 0 1 353.444 0.546 10 0 FCAEMN COc1cc2c(cc1NC(=O)C(=O)N1C[C@H]3CCC[C@@H](C1)N3)NC(=O)CC2 ZINC000415628926 489538396 /nfs/dbraw/zinc/53/83/96/489538396.db2.gz HBCQZZDCFHYISB-BETUJISGSA-N 0 1 372.425 0.871 10 0 FCAEMN COC(=O)COc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC000415636535 489538887 /nfs/dbraw/zinc/53/88/87/489538887.db2.gz XRRJVRCIMBASDZ-OKILXGFUSA-N 0 1 361.398 0.530 10 0 FCAEMN Cc1cc(C[C@@H](C)NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)[nH]n1 ZINC000372051376 489540161 /nfs/dbraw/zinc/54/01/61/489540161.db2.gz IBZUVXMNZCTLAP-GDBMZVCRSA-N 0 1 364.494 0.355 10 0 FCAEMN CCOC(=O)C[C@@H](NS(=O)(=O)c1c(N)noc1C)c1ccncc1 ZINC000452046193 489541061 /nfs/dbraw/zinc/54/10/61/489541061.db2.gz HMJPJZUZOVZGPH-LLVKDONJSA-N 0 1 354.388 0.933 10 0 FCAEMN CCN(CCNC(=O)N1CCC[C@@H]1CS(N)(=O)=O)CCC(F)(F)F ZINC000425961174 489550925 /nfs/dbraw/zinc/55/09/25/489550925.db2.gz APIFUGJCMHZMBX-LLVKDONJSA-N 0 1 374.429 0.723 10 0 FCAEMN C[C@H]1CC[C@](CO)(N(C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000425930154 489550038 /nfs/dbraw/zinc/55/00/38/489550038.db2.gz NHAWSNJNZZHCSH-LRDDRELGSA-N 0 1 355.460 0.755 10 0 FCAEMN COc1ccc(NC(=O)C(=O)N2CCNC(C)(C)C2)c(OC)c1OC ZINC000415818362 489555250 /nfs/dbraw/zinc/55/52/50/489555250.db2.gz SWECOZWCRYFWNZ-UHFFFAOYSA-N 0 1 351.403 0.861 10 0 FCAEMN O=C(Nc1ccn(-c2ccncc2)n1)C(=O)N1CCC[C@]2(CCOC2)C1 ZINC000454000933 489557880 /nfs/dbraw/zinc/55/78/80/489557880.db2.gz BOXHIMZDSQRALX-SFHVURJKSA-N 0 1 355.398 1.235 10 0 FCAEMN Cc1cc(C(=O)N2CCN(C(=O)NCCNC(=O)C(C)C)[C@H](C)C2)n[nH]1 ZINC000454252535 489566616 /nfs/dbraw/zinc/56/66/16/489566616.db2.gz YMALIUSHDJCFNU-CYBMUJFWSA-N 0 1 364.450 0.346 10 0 FCAEMN COC(=O)c1ccc(OC[C@@H](O)CN2CCN(CCO)[C@@H](C)C2)cc1 ZINC000426463249 489568184 /nfs/dbraw/zinc/56/81/84/489568184.db2.gz XMJJNXONCGPWFU-HOCLYGCPSA-N 0 1 352.431 0.211 10 0 FCAEMN COC(=O)c1ccc(OC[C@H](O)CN2CCN(CCO)[C@H](C)C2)cc1 ZINC000426463242 489568529 /nfs/dbraw/zinc/56/85/29/489568529.db2.gz XMJJNXONCGPWFU-GDBMZVCRSA-N 0 1 352.431 0.211 10 0 FCAEMN CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000372319471 489570280 /nfs/dbraw/zinc/57/02/80/489570280.db2.gz UOFSQYYUARNKNH-NSHDSACASA-N 0 1 360.418 0.719 10 0 FCAEMN COC(=O)[C@H](CC(C)C)NC(=O)CN1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000372335467 489572779 /nfs/dbraw/zinc/57/27/79/489572779.db2.gz WZUMSCCTSRZUIH-SOUVJXGZSA-N 0 1 353.463 0.681 10 0 FCAEMN CCOC(=O)[C@H]1CN(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CC12COC2 ZINC000454695437 489576286 /nfs/dbraw/zinc/57/62/86/489576286.db2.gz WJENQYZXEJNGRR-SMDDNHRTSA-N 0 1 350.419 0.870 10 0 FCAEMN CCC1(CC)NC(=O)N(CC(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)C1=O ZINC000416292414 489578650 /nfs/dbraw/zinc/57/86/50/489578650.db2.gz ISMHMFVZZKGIGP-CHWSQXEVSA-N 0 1 354.451 0.011 10 0 FCAEMN CCOc1ccc(C(=O)NCC(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)cc1 ZINC000416294281 489579042 /nfs/dbraw/zinc/57/90/42/489579042.db2.gz KTCXIWXZQSPUFF-GJZGRUSLSA-N 0 1 363.458 0.729 10 0 FCAEMN C[C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)[C@@H](C)CN1CCO ZINC000416300274 489579369 /nfs/dbraw/zinc/57/93/69/489579369.db2.gz TUGGTJAFFLIKSP-RYUDHWBXSA-N 0 1 350.444 0.372 10 0 FCAEMN Cc1ccc2c(c1)C(=O)N(CC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C)C2=O ZINC000416300228 489579474 /nfs/dbraw/zinc/57/94/74/489579474.db2.gz SYOBIGHMSZRUHK-KBPBESRZSA-N 0 1 359.426 0.505 10 0 FCAEMN CCS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)cc1 ZINC000416303196 489581086 /nfs/dbraw/zinc/58/10/86/489581086.db2.gz XMKACSAMTLFWDQ-HUUCEWRRSA-N 0 1 368.499 0.936 10 0 FCAEMN COC(=O)CN(CC(=O)OC)C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000372405455 489581332 /nfs/dbraw/zinc/58/13/32/489581332.db2.gz PMHYVMUKHWPDTN-NSHDSACASA-N 0 1 351.403 0.813 10 0 FCAEMN C[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)[C@H](C)CN1CCO ZINC000416303996 489581996 /nfs/dbraw/zinc/58/19/96/489581996.db2.gz YQNKUISGEUHZJX-CHWSQXEVSA-N 0 1 360.414 0.016 10 0 FCAEMN CCN1CCN(CC(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000426856696 489584189 /nfs/dbraw/zinc/58/41/89/489584189.db2.gz MEXKBEMPOLTVMC-IBGZPJMESA-N 0 1 372.513 0.974 10 0 FCAEMN C[C@@H]1CCCc2nc(S(=O)(=O)NCCCN3CCC(O)CC3)cn21 ZINC000416405147 489589918 /nfs/dbraw/zinc/58/99/18/489589918.db2.gz SEDRULWKNOAURM-CYBMUJFWSA-N 0 1 356.492 0.906 10 0 FCAEMN COCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc3ccc(=O)n(C)c3c2)C1 ZINC000427086164 489593795 /nfs/dbraw/zinc/59/37/95/489593795.db2.gz IOAAWOPUQVPLBA-OAHLLOKOSA-N 0 1 372.425 0.314 10 0 FCAEMN CCN(CC)CCS(=O)(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000416502374 489602362 /nfs/dbraw/zinc/60/23/62/489602362.db2.gz LMZPISMLOYZMDV-ZDUSSCGKSA-N 0 1 374.532 0.961 10 0 FCAEMN C[C@@H]1CN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C[C@H](C)N1CCO ZINC000456232310 489612308 /nfs/dbraw/zinc/61/23/08/489612308.db2.gz WGRKNCPLGAMXNO-BETUJISGSA-N 0 1 360.414 0.016 10 0 FCAEMN CCOC(=O)C1(CC(=O)N2CCN([C@@H]3CCNC(=O)CC3)CC2)CCC1 ZINC000456725323 489623306 /nfs/dbraw/zinc/62/33/06/489623306.db2.gz ABDWOMCJSQMHMC-HNNXBMFYSA-N 0 1 365.474 0.923 10 0 FCAEMN C[C@H]1CN(C(=O)NCCOc2ccc3c(c2)OCO3)[C@@H](C)CN1CCO ZINC000416769406 489629392 /nfs/dbraw/zinc/62/93/92/489629392.db2.gz OOTMOBQNMRZLBN-KBPBESRZSA-N 0 1 365.430 0.891 10 0 FCAEMN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000428071593 489636858 /nfs/dbraw/zinc/63/68/58/489636858.db2.gz AQWNESJGHBAOOP-BDAKNGLRSA-N 0 1 350.350 0.888 10 0 FCAEMN CC[C@@](COC)(NC(=O)c1cccc(N2CCN(C)CC2)n1)C(=O)OC ZINC000457297396 489644109 /nfs/dbraw/zinc/64/41/09/489644109.db2.gz VPPUNUKCQPTLEQ-SFHVURJKSA-N 0 1 364.446 0.531 10 0 FCAEMN Cn1cnc(CNC(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)n1 ZINC000372897169 489649075 /nfs/dbraw/zinc/64/90/75/489649075.db2.gz KFSFVVMGYDLARM-UHFFFAOYSA-N 0 1 361.406 0.761 10 0 FCAEMN C[C@@H](NC(=O)NC[C@H]1CN(C)CCN1C)c1ncc(Br)cn1 ZINC000555741734 491269420 /nfs/dbraw/zinc/26/94/20/491269420.db2.gz SPIZBNXIDHZPCP-PWSUYJOCSA-N 0 1 371.283 0.845 10 0 FCAEMN O=C(NCCCCN1CCOCC1)NC[C@@H]1COC2(CCOCC2)O1 ZINC000373180133 489677044 /nfs/dbraw/zinc/67/70/44/489677044.db2.gz SGBSGHVLUTZWAB-OAHLLOKOSA-N 0 1 357.451 0.320 10 0 FCAEMN CC(C)N(CCCNC(=O)CN1[C@H](C)C[C@@H](O)C[C@@H]1C)S(C)(=O)=O ZINC000429282069 489679458 /nfs/dbraw/zinc/67/94/58/489679458.db2.gz ADEZCBRRRZKTNI-QDMKHBRRSA-N 0 1 363.524 0.396 10 0 FCAEMN CC(C)N(CCCNC(=O)CN1[C@H](C)CC(O)C[C@H]1C)S(C)(=O)=O ZINC000429282070 489679902 /nfs/dbraw/zinc/67/99/02/489679902.db2.gz ADEZCBRRRZKTNI-ZIAGYGMSSA-N 0 1 363.524 0.396 10 0 FCAEMN C[C@@H](C(=O)NCCc1nc[nH]n1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000469054523 489687409 /nfs/dbraw/zinc/68/74/09/489687409.db2.gz VYJOSNMWJWLPJR-LLVKDONJSA-N 0 1 351.432 0.517 10 0 FCAEMN C[C@@H](CN1CCN(C)CC1)NC(=O)NCCCc1nnc2ccccn21 ZINC000489265838 489703693 /nfs/dbraw/zinc/70/36/93/489703693.db2.gz BHTPOLFFSRBUDQ-HNNXBMFYSA-N 0 1 359.478 0.597 10 0 FCAEMN Cn1cc(C[C@H](O)C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000469367395 489704592 /nfs/dbraw/zinc/70/45/92/489704592.db2.gz MNGBKXRBBQUHJF-QRVBRYPASA-N 0 1 372.469 0.323 10 0 FCAEMN CCc1nc(CNC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)n[nH]1 ZINC000458875431 489706329 /nfs/dbraw/zinc/70/63/29/489706329.db2.gz QLJXAZUHHDNZRW-UHFFFAOYSA-N 0 1 356.452 0.123 10 0 FCAEMN COc1ccc([C@H]2[C@H](C(=O)N3CCc4[nH]nnc4C3)CC(=O)N2C)cc1 ZINC000469426430 489707118 /nfs/dbraw/zinc/70/71/18/489707118.db2.gz NXGQKTHTRPWMKT-DYVFJYSZSA-N 0 1 355.398 0.918 10 0 FCAEMN CCN1CCCN(C(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CC1 ZINC000429931355 489709405 /nfs/dbraw/zinc/70/94/05/489709405.db2.gz ZEDTZQYTUCWUSL-HNNXBMFYSA-N 0 1 358.442 0.783 10 0 FCAEMN CCN1CCN(CC(=O)NCc2ccnc(OC3CCOCC3)c2)CC1 ZINC000469496727 489709850 /nfs/dbraw/zinc/70/98/50/489709850.db2.gz YLTMKJSWRNIUKJ-UHFFFAOYSA-N 0 1 362.474 0.893 10 0 FCAEMN COc1ccnc(N2CCN(C(=O)NCc3n[nH]c(C(C)(C)C)n3)CC2)n1 ZINC000459231234 489722883 /nfs/dbraw/zinc/72/28/83/489722883.db2.gz AFAGTWPTELFFNV-UHFFFAOYSA-N 0 1 374.449 0.933 10 0 FCAEMN CCOC(=O)c1cn(C)nc1NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000376354945 489733647 /nfs/dbraw/zinc/73/36/47/489733647.db2.gz DHIBTTIXYHAGJY-KBPBESRZSA-N 0 1 365.434 0.660 10 0 FCAEMN 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C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)NCc2cn(C)nn2)C1 ZINC001326592397 1265138521 /nfs/dbraw/zinc/13/85/21/1265138521.db2.gz PEQDGSFXQGKUMZ-UKRRQHHQSA-N 0 1 356.430 0.383 10 0 FCAEMN CCO[C@@H](CC)C(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@@H]1O ZINC001513468926 1265139350 /nfs/dbraw/zinc/13/93/50/1265139350.db2.gz YJMDCLNNUUSKER-AGIUHOORSA-N 0 1 352.435 0.190 10 0 FCAEMN CCCOCC(=O)N[C@@H]1CN(C(=O)c2cc(C)cc3c[nH]nc32)C[C@@H]1O ZINC001513472423 1265141554 /nfs/dbraw/zinc/14/15/54/1265141554.db2.gz SNSUAZKSYHOFEX-CABCVRRESA-N 0 1 360.414 0.599 10 0 FCAEMN COC[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cccc3[nH]c(C)nc32)C[C@@H]1O ZINC001513473795 1265143121 /nfs/dbraw/zinc/14/31/21/1265143121.db2.gz CFLHJAHIPZKWIW-KMUNFCNLSA-N 0 1 360.414 0.455 10 0 FCAEMN CCOCC1(C(=O)N2C[C@@H](NC(=O)c3[nH]nc(C)c3C)[C@@H](O)C2)CC1 ZINC001513476580 1265144467 /nfs/dbraw/zinc/14/44/67/1265144467.db2.gz AETBCSVZCQMHPI-OLZOCXBDSA-N 0 1 350.419 0.145 10 0 FCAEMN CCCCOCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@@H]1O ZINC001513479530 1265145283 /nfs/dbraw/zinc/14/52/83/1265145283.db2.gz ASBKWTGYXLWZIU-OAGGEKHMSA-N 0 1 355.479 0.365 10 0 FCAEMN CC[C@@H](CC(=O)N1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1)C(C)(C)C ZINC001513503928 1265160969 /nfs/dbraw/zinc/16/09/69/1265160969.db2.gz BSAMDRHAIVZECW-MJBXVCDLSA-N 0 1 365.478 0.806 10 0 FCAEMN O=C(CCOCc1ccccc1)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1O ZINC001513522073 1265176309 /nfs/dbraw/zinc/17/63/09/1265176309.db2.gz PJKYTXWIMUUAOZ-CVEARBPZSA-N 0 1 358.398 0.318 10 0 FCAEMN Cc1cccc(C(=O)N2C[C@@H](NC(=O)[C@@H](C)Cc3cnc[nH]3)[C@@H](O)C2)c1 ZINC001513526597 1265180033 /nfs/dbraw/zinc/18/00/33/1265180033.db2.gz ZVNLNDGMWPXDGH-XKQJLSEDSA-N 0 1 356.426 0.898 10 0 FCAEMN CCc1cc(C(=O)N2C[C@@H](NC(=O)[C@@H](C)OCCC(C)C)[C@@H](O)C2)n[nH]1 ZINC001513542491 1265192874 /nfs/dbraw/zinc/19/28/74/1265192874.db2.gz ARKYOKSAEWQLIJ-WQVCFCJDSA-N 0 1 366.462 0.725 10 0 FCAEMN O=C(CCC(F)F)N[C@@H]1CN(C(=O)[C@H]2CCc3[nH]cnc3C2)C[C@@H]1O ZINC001513563481 1265212120 /nfs/dbraw/zinc/21/21/20/1265212120.db2.gz JYXDBZWLLZGPPC-BIMULSAOSA-N 0 1 356.373 0.248 10 0 FCAEMN CC[C@H](CC(C)C)C(=O)N1C[C@@H](NC(=O)C2=NC(=O)N(C)C2)[C@@H](O)C1 ZINC001513678218 1265255477 /nfs/dbraw/zinc/25/54/77/1265255477.db2.gz LOFYZICHKCTTDQ-BZPMIXESSA-N 0 1 352.435 0.500 10 0 FCAEMN C[C@@H](CC(=O)N1C[C@@H](NC(=O)c2[nH]ncc2F)[C@@H](O)C1)C(F)(F)F ZINC001513684670 1265257238 /nfs/dbraw/zinc/25/72/38/1265257238.db2.gz LXKOXEJFKVFXLZ-ZQARSLAVSA-N 0 1 352.288 0.439 10 0 FCAEMN COCCC(=O)N1C[C@H]2CCN(C(=O)c3cc(Br)[nH]n3)C[C@H]21 ZINC001513753124 1265273988 /nfs/dbraw/zinc/27/39/88/1265273988.db2.gz KMUIYPLNCCEAKU-MWLCHTKSSA-N 0 1 371.235 0.882 10 0 FCAEMN NC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1[nH]nc(C2CC2)c1Cl ZINC001514317468 1265339631 /nfs/dbraw/zinc/33/96/31/1265339631.db2.gz HGLOFECEDWHQQR-NXEZZACHSA-N 0 1 367.837 0.973 10 0 FCAEMN COc1ccccc1-c1cc(CNC(=O)C(=O)N2CCNC[C@H]2C)on1 ZINC001327533052 1265351999 /nfs/dbraw/zinc/35/19/99/1265351999.db2.gz OWYKVIXYTIGGGN-GFCCVEGCSA-N 0 1 358.398 0.787 10 0 FCAEMN CCN(C)C(=O)CN[C@]1(CO)CCCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001327576478 1265362224 /nfs/dbraw/zinc/36/22/24/1265362224.db2.gz GUMLMLTXHPYXJJ-LZQZEXGQSA-N 0 1 367.490 0.367 10 0 FCAEMN O=C(NCCN1C(=O)COc2ccccc21)N[C@H]1CCc2nc[nH]c2C1 ZINC001327610362 1265372715 /nfs/dbraw/zinc/37/27/15/1265372715.db2.gz PJMKRSHZTWOCTG-LBPRGKRZSA-N 0 1 355.398 0.992 10 0 FCAEMN O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001327694602 1265398381 /nfs/dbraw/zinc/39/83/81/1265398381.db2.gz PKEFTPVJZTUJLB-HYVNUMGLSA-N 0 1 361.417 0.419 10 0 FCAEMN CN1CCN(C2CN(C(=O)Cc3ccccc3N3CCCC3=O)C2)CC1 ZINC001332563952 1266429687 /nfs/dbraw/zinc/42/96/87/1266429687.db2.gz OIWZEROMLMMSIT-UHFFFAOYSA-N 0 1 356.470 0.814 10 0 FCAEMN C[C@@H]1CCOCCN1C(=O)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC001332562501 1266429832 /nfs/dbraw/zinc/42/98/32/1266429832.db2.gz YFAWIZGIXCFUOO-OAHLLOKOSA-N 0 1 360.458 0.800 10 0 FCAEMN Cc1ccnn1CC(=O)NC[C@H]1CC[C@@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001515052703 1265409583 /nfs/dbraw/zinc/40/95/83/1265409583.db2.gz QOVVJZJUQIRNCX-UONOGXRCSA-N 0 1 359.434 0.344 10 0 FCAEMN Cc1ccnn1CC(=O)NC[C@H]1CC[C@@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001515052703 1265409586 /nfs/dbraw/zinc/40/95/86/1265409586.db2.gz QOVVJZJUQIRNCX-UONOGXRCSA-N 0 1 359.434 0.344 10 0 FCAEMN COCc1nc(CNC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)n[nH]1 ZINC001327748798 1265411992 /nfs/dbraw/zinc/41/19/92/1265411992.db2.gz UYUVRENGQBPQSD-VXGBXAGGSA-N 0 1 365.390 0.578 10 0 FCAEMN COCc1nnc(CNC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)[nH]1 ZINC001327748798 1265411995 /nfs/dbraw/zinc/41/19/95/1265411995.db2.gz UYUVRENGQBPQSD-VXGBXAGGSA-N 0 1 365.390 0.578 10 0 FCAEMN CN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3C[C@H]4CCC[C@H]43)cn2)CC1 ZINC001332598409 1266437662 /nfs/dbraw/zinc/43/76/62/1266437662.db2.gz RGFXZMASPCULHV-BRWVUGGUSA-N 0 1 371.485 0.754 10 0 FCAEMN C[C@@H](Cc1cnc[nH]1)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1ccnn1)C2 ZINC001522260429 1266447160 /nfs/dbraw/zinc/44/71/60/1266447160.db2.gz HIAWIEIGEMMJEN-XZDPQHSOSA-N 0 1 371.445 0.518 10 0 FCAEMN C[C@@H]1CN(C(=O)CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)CC(C)(C)O1 ZINC001332653417 1266451849 /nfs/dbraw/zinc/45/18/49/1266451849.db2.gz OFESFTVCWZJUMF-XIKOKIGWSA-N 0 1 366.462 0.322 10 0 FCAEMN C[C@H]1CN(C(=O)CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)CC(C)(C)O1 ZINC001332653416 1266452203 /nfs/dbraw/zinc/45/22/03/1266452203.db2.gz OFESFTVCWZJUMF-SGTLLEGYSA-N 0 1 366.462 0.322 10 0 FCAEMN Cc1ccncc1CN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001332664547 1266456281 /nfs/dbraw/zinc/45/62/81/1266456281.db2.gz VCKOMIJQLKVUEX-HLLBOEOZSA-N 0 1 362.474 0.543 10 0 FCAEMN CC(=O)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH]ncc31)C2 ZINC001522275183 1266458366 /nfs/dbraw/zinc/45/83/66/1266458366.db2.gz SDYBPHGGTUMDOL-KFZJALRRSA-N 0 1 373.457 0.556 10 0 FCAEMN CC(C)(CNC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)C1CC1 ZINC001332700065 1266464035 /nfs/dbraw/zinc/46/40/35/1266464035.db2.gz KJWYNENHLFXWQV-MRXNPFEDSA-N 0 1 366.506 0.062 10 0 FCAEMN Cc1nc[nH]c(=O)c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn[nH]1 ZINC001522300313 1266476981 /nfs/dbraw/zinc/47/69/81/1266476981.db2.gz APNACNMYNJRYGF-DFBGVHRSSA-N 0 1 370.413 0.708 10 0 FCAEMN O=C(CCCCc1cn[nH]n1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1cnc[nH]1 ZINC001522307576 1266483801 /nfs/dbraw/zinc/48/38/01/1266483801.db2.gz DXMBNOZSGWPZKS-OAGGEKHMSA-N 0 1 371.445 0.731 10 0 FCAEMN C[C@@H](CC(N)=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCC(C)CC1)C2 ZINC001522325190 1266491839 /nfs/dbraw/zinc/49/18/39/1266491839.db2.gz IUWOWRSKKULMHW-JJXSEGSLSA-N 0 1 364.490 0.478 10 0 FCAEMN C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NC(=O)N(C)C1)n1cccn1 ZINC001522340952 1266499699 /nfs/dbraw/zinc/49/96/99/1266499699.db2.gz BCRAHEGRQQSGOH-JLNYLFASSA-N 0 1 372.429 0.835 10 0 FCAEMN CC(C)c1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H](C)CC(N)=O)C3)n[nH]1 ZINC001522339875 1266499830 /nfs/dbraw/zinc/49/98/30/1266499830.db2.gz LRQAWHHKWLQNHQ-CVMIBZJCSA-N 0 1 361.446 0.906 10 0 FCAEMN O=C(CCc1c[nH]nn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CCCOC1 ZINC001522342374 1266501031 /nfs/dbraw/zinc/50/10/31/1266501031.db2.gz GKZPIYCSSHDVDA-XZDPQHSOSA-N 0 1 361.446 0.802 10 0 FCAEMN O=C(CCc1cnn[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1CCCOC1 ZINC001522342374 1266501042 /nfs/dbraw/zinc/50/10/42/1266501042.db2.gz GKZPIYCSSHDVDA-XZDPQHSOSA-N 0 1 361.446 0.802 10 0 FCAEMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC001522341404 1266501335 /nfs/dbraw/zinc/50/13/35/1266501335.db2.gz VVSVSDHEEITXHK-CTQLXNAHSA-N 0 1 373.457 0.361 10 0 FCAEMN CC(=O)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c3ccccc31)C2 ZINC001522366915 1266519012 /nfs/dbraw/zinc/51/90/12/1266519012.db2.gz ODZDEWTWIPNRBE-WQVCFCJDSA-N 0 1 369.425 0.903 10 0 FCAEMN CC(=O)NC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001522371198 1266522404 /nfs/dbraw/zinc/52/24/04/1266522404.db2.gz ZOESIBUFLQEHOQ-KXBFYZLASA-N 0 1 364.490 0.494 10 0 FCAEMN CNC(=O)CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cncc3nc[nH]c32)C1 ZINC001522375921 1266527963 /nfs/dbraw/zinc/52/79/63/1266527963.db2.gz TUTSFKQOLWRMFC-VOJFVSQTSA-N 0 1 370.413 0.205 10 0 FCAEMN CN1CCN(C)[C@H](CNC(=O)C(=O)N2C[C@@H]3C[C@]3(c3ccccc3)C2)C1 ZINC001333159316 1266544530 /nfs/dbraw/zinc/54/45/30/1266544530.db2.gz PIDOPFFVIKPWER-SQGPQFPESA-N 0 1 356.470 0.149 10 0 FCAEMN CC1(C)CC[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)OC1 ZINC001333173188 1266548057 /nfs/dbraw/zinc/54/80/57/1266548057.db2.gz KPJDFLHCTZRTFO-BZUAXINKSA-N 0 1 367.490 0.365 10 0 FCAEMN CN1CCN(C2CN(C(=O)c3coc4c3C(=O)NCC(C)(C)C4)C2)CC1 ZINC001333281984 1266570745 /nfs/dbraw/zinc/57/07/45/1266570745.db2.gz KNYVBVLBTVPENJ-UHFFFAOYSA-N 0 1 360.458 0.664 10 0 FCAEMN O=C(Cc1cccc2nsnc21)NCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001522728896 1266578862 /nfs/dbraw/zinc/57/88/62/1266578862.db2.gz RZJXXHLYMMHDKJ-VXGBXAGGSA-N 0 1 370.438 0.993 10 0 FCAEMN CS(=O)(=O)c1ccc(C(=O)NCCNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)o1 ZINC001522728225 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ZUFNJNJOFVYIHF-UONOGXRCSA-N 0 1 359.434 0.887 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)Cc2nnc[nH]2)CCN1C(=O)[C@H](CC(C)C)OC ZINC001573314026 1270746531 /nfs/dbraw/zinc/74/65/31/1270746531.db2.gz UUQHVNJYQAJCOP-MJBXVCDLSA-N 0 1 351.451 0.904 10 0 FCAEMN COc1cc(C(=O)N2C[C@H]3CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]3C2)on1 ZINC001573350039 1270758804 /nfs/dbraw/zinc/75/88/04/1270758804.db2.gz ZYKLJUJVHRPCGC-KGLIPLIRSA-N 0 1 364.446 0.944 10 0 FCAEMN CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2cccc3c[nH]nc32)[C@@H]1C ZINC001573443955 1270778660 /nfs/dbraw/zinc/77/86/60/1270778660.db2.gz JBKSEXYUCLTMBK-ABAIWWIYSA-N 0 1 357.414 0.760 10 0 FCAEMN CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)[C@@H]1C ZINC001573443217 1270778696 /nfs/dbraw/zinc/77/86/96/1270778696.db2.gz AXARJCHDBLMQRP-ZLDLUXBVSA-N 0 1 361.446 0.414 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)CCc2nc[nH]n2)CCN1C(=O)c1cnc2[nH]ccc2c1 ZINC001573466078 1270785151 /nfs/dbraw/zinc/78/51/51/1270785151.db2.gz DKUPOPAZGPTJGJ-RISCZKNCSA-N 0 1 367.413 0.985 10 0 FCAEMN C[C@H](CC(N)=O)C(=O)N1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)[C@H]1C ZINC001573488252 1270792128 /nfs/dbraw/zinc/79/21/28/1270792128.db2.gz PQQULAHBPZYQTM-FOGDFJRCSA-N 0 1 358.402 0.189 10 0 FCAEMN CNC(=O)CCCC(=O)N1CC[C@H](NC(=O)CN(C)C2CCC2)[C@H]1C ZINC001573522682 1270811035 /nfs/dbraw/zinc/81/10/35/1270811035.db2.gz DPSLYMYXCPMRIZ-HIFRSBDPSA-N 0 1 352.479 0.493 10 0 FCAEMN C[C@@H]1[C@@H](NC(=O)CCc2cnc[nH]2)CCN1C(=O)c1cccc(C(N)=O)n1 ZINC001573522679 1270811575 /nfs/dbraw/zinc/81/15/75/1270811575.db2.gz DLQLXOGLSSELPL-YPMHNXCESA-N 0 1 370.413 0.256 10 0 FCAEMN CCO[C@@H](C(=O)N1CC[C@H](NC(=O)c2ncn[nH]2)[C@H]1C)C1CCOCC1 ZINC001573563328 1270831255 /nfs/dbraw/zinc/83/12/55/1270831255.db2.gz GCOGZSFMNVNLTL-KWCYVHTRSA-N 0 1 365.434 0.356 10 0 FCAEMN CCO[C@@H](C(=O)N1CC[C@H](NC(=O)c2nc[nH]n2)[C@H]1C)C1CCOCC1 ZINC001573563328 1270831260 /nfs/dbraw/zinc/83/12/60/1270831260.db2.gz GCOGZSFMNVNLTL-KWCYVHTRSA-N 0 1 365.434 0.356 10 0 FCAEMN Cc1ccc2n[nH]c(C(=O)N3CC[C@H](NC(=O)C4(C(N)=O)CC4)[C@H]3C)c2c1 ZINC001573587593 1270837912 /nfs/dbraw/zinc/83/79/12/1270837912.db2.gz DDJRKCHKEACALX-YPMHNXCESA-N 0 1 369.425 0.856 10 0 FCAEMN CCN(CC)C[C@@H](F)C(=O)N1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H]1C ZINC001573588062 1270839461 /nfs/dbraw/zinc/83/94/61/1270839461.db2.gz UNZGKYHGCNAFAN-UPJWGTAASA-N 0 1 356.442 0.037 10 0 FCAEMN CCOCCC(=O)N1C[C@H]2CN(C(=O)C3=NC(=O)N(C)C3)C[C@@]2(C)C1 ZINC001573712531 1270856566 /nfs/dbraw/zinc/85/65/66/1270856566.db2.gz VJBQKJZIXVVKQF-YVEFUNNKSA-N 0 1 350.419 0.473 10 0 FCAEMN CCC[C@H](OC)C(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH]nn3)C[C@]2(C)C1 ZINC001573766795 1270875140 /nfs/dbraw/zinc/87/51/40/1270875140.db2.gz UYWDAONROLMXPC-DHSIGJKJSA-N 0 1 363.462 0.859 10 0 FCAEMN CCC[C@H](OC)C(=O)N1C[C@@H]2CN(C(=O)CCc3cnn[nH]3)C[C@]2(C)C1 ZINC001573766795 1270875148 /nfs/dbraw/zinc/87/51/48/1270875148.db2.gz UYWDAONROLMXPC-DHSIGJKJSA-N 0 1 363.462 0.859 10 0 FCAEMN Cc1n[nH]c(C(=O)NC[C@@H]2CN(C(=O)CNC(=O)C3CC3)C[C@H]2C)c1C ZINC001573806855 1270887354 /nfs/dbraw/zinc/88/73/54/1270887354.db2.gz RPYYKVLBMMQDGI-QMTHXVAHSA-N 0 1 361.446 0.377 10 0 FCAEMN CC[N@@H+](C)CCC(=O)N1C[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])[C@H](C)C1 ZINC001573816764 1270891922 /nfs/dbraw/zinc/89/19/22/1270891922.db2.gz YZWWBBKTEUYCDD-DGCLKSJQSA-N 0 1 351.451 0.590 10 0 FCAEMN C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](CNC(=O)CN3CCCC3)[C@H](C)C2)C1 ZINC001573840165 1270901455 /nfs/dbraw/zinc/90/14/55/1270901455.db2.gz UHJLKYRGJFNPHP-ARFHVFGLSA-N 0 1 364.490 0.161 10 0 FCAEMN C[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1CNC(=O)CCc1cn[nH]c1 ZINC001573843650 1270903145 /nfs/dbraw/zinc/90/31/45/1270903145.db2.gz IRROVWGLWUOIDB-TZMCWYRMSA-N 0 1 359.434 0.304 10 0 FCAEMN C[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1CNC(=O)CCc1cn[nH]c1 ZINC001573843650 1270903149 /nfs/dbraw/zinc/90/31/49/1270903149.db2.gz IRROVWGLWUOIDB-TZMCWYRMSA-N 0 1 359.434 0.304 10 0 FCAEMN CCN(CC)C[C@H](F)C(=O)NC[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C ZINC001573847948 1270904476 /nfs/dbraw/zinc/90/44/76/1270904476.db2.gz BDWFACWJNMNQDP-KFWWJZLASA-N 0 1 368.457 0.169 10 0 FCAEMN C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001573861546 1270912609 /nfs/dbraw/zinc/91/26/09/1270912609.db2.gz NWXZBEONRGEFDU-SPYBWZPUSA-N 0 1 364.490 0.209 10 0 FCAEMN C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1CNC(=O)CCc1ncccn1 ZINC001573898013 1270923674 /nfs/dbraw/zinc/92/36/74/1270923674.db2.gz SSGGPTAMIQAJQT-HZPDHXFCSA-N 0 1 359.474 0.716 10 0 FCAEMN CCNC(=O)CCC(=O)NCC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001573955182 1270958062 /nfs/dbraw/zinc/95/80/62/1270958062.db2.gz DJEHBYQYBYMSGI-ZIAGYGMSSA-N 0 1 363.462 0.469 10 0 FCAEMN CCn1nncc1C(=O)NCC[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001573979073 1270973429 /nfs/dbraw/zinc/97/34/29/1270973429.db2.gz NHXJASDJLHKNLD-RBSFLKMASA-N 0 1 362.478 0.607 10 0 FCAEMN O=C(C[C@@H]1CCOC1)NC[C@]12CCC[C@H]1N(C(=O)Cc1ncn[nH]1)CC2 ZINC001574086481 1271063842 /nfs/dbraw/zinc/06/38/42/1271063842.db2.gz LZGBPGQXFCLROZ-PMUMKWKESA-N 0 1 361.446 0.661 10 0 FCAEMN CC(=O)NCC(=O)N1CC[C@@]2(CNC(=O)c3[nH]ncc3F)CCC[C@@H]12 ZINC001574116537 1271071489 /nfs/dbraw/zinc/07/14/89/1271071489.db2.gz UHXNPJGRAKEDBY-MLGOLLRUSA-N 0 1 351.382 0.186 10 0 FCAEMN O=C(Cc1nnc[nH]1)NC[C@]12CCC[C@H]1N(C(=O)C1=COCCO1)CC2 ZINC001574115558 1271071681 /nfs/dbraw/zinc/07/16/81/1271071681.db2.gz NMGVMUQIIDIPBM-CXAGYDPISA-N 0 1 361.402 0.123 10 0 FCAEMN O=C(CCn1cccn1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1cnc[nH]1 ZINC001574176070 1271081344 /nfs/dbraw/zinc/08/13/44/1271081344.db2.gz UBCHQMQIQKKYNM-PMPSAXMXSA-N 0 1 356.430 0.877 10 0 FCAEMN CC(C)OCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NC(=O)N(C)C1 ZINC001574177950 1271082412 /nfs/dbraw/zinc/08/24/12/1271082412.db2.gz DTRFKYKPNZQFGU-DYEKYZERSA-N 0 1 350.419 0.803 10 0 FCAEMN CC(=O)N(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH]ncc31)C2 ZINC001574251628 1271120169 /nfs/dbraw/zinc/12/01/69/1271120169.db2.gz SDYBPHGGTUMDOL-OMNBBPDLSA-N 0 1 373.457 0.556 10 0 FCAEMN CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc2cncn2c1 ZINC001574269354 1271145441 /nfs/dbraw/zinc/14/54/41/1271145441.db2.gz OLCPVHZFBKUDHS-SNPRPXQTSA-N 0 1 370.413 0.125 10 0 FCAEMN O=C(CCCCc1cn[nH]n1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCC(=O)N1 ZINC001574309571 1271185067 /nfs/dbraw/zinc/18/50/67/1271185067.db2.gz YGWAQFFQCIJBDC-QPSCCSFWSA-N 0 1 374.445 0.044 10 0 FCAEMN CO[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH]cn1)c1cnn(C)c1 ZINC001574315118 1271192201 /nfs/dbraw/zinc/19/22/01/1271192201.db2.gz TWMKUPZGJRYACB-AESZEHBQSA-N 0 1 372.429 0.322 10 0 FCAEMN CC(=O)N[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncn[nH]1)C2)C1CCCC1 ZINC001574335229 1271214952 /nfs/dbraw/zinc/21/49/52/1271214952.db2.gz AJKLMXKGXLVVBK-QPSCCSFWSA-N 0 1 374.445 0.361 10 0 FCAEMN CC(=O)N[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc[nH]n1)C2)C1CCCC1 ZINC001574335229 1271214960 /nfs/dbraw/zinc/21/49/60/1271214960.db2.gz AJKLMXKGXLVVBK-QPSCCSFWSA-N 0 1 374.445 0.361 10 0 FCAEMN CN(C)Cc1ccoc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(N)=O)CC1)C2 ZINC001574353439 1271228675 /nfs/dbraw/zinc/22/86/75/1271228675.db2.gz KRSRWIAJGTYFEU-RDBSUJKOSA-N 0 1 374.441 0.468 10 0 FCAEMN CC[C@@H](NC(C)=O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1F)C2 ZINC001574360630 1271232994 /nfs/dbraw/zinc/23/29/94/1271232994.db2.gz CBCXVQOKYNPVMT-XEZLXBQYSA-N 0 1 351.382 0.325 10 0 FCAEMN Cc1cc(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCc2nc[nH]n2)no1 ZINC001574362799 1271233127 /nfs/dbraw/zinc/23/31/27/1271233127.db2.gz IWQZQGQHDKREHC-ILXRZTDVSA-N 0 1 372.429 0.915 10 0 FCAEMN C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCCn2cncn2)C1 ZINC001574371456 1271237544 /nfs/dbraw/zinc/23/75/44/1271237544.db2.gz CIEAZBMTULVHHT-YVSFHVDLSA-N 0 1 374.489 0.648 10 0 FCAEMN Cc1noc(CCCC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cnc[nH]2)C3)n1 ZINC001574379419 1271246803 /nfs/dbraw/zinc/24/68/03/1271246803.db2.gz HFSIPSGNUCOXEV-ILXRZTDVSA-N 0 1 372.429 0.915 10 0 FCAEMN 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364.450 0.666 10 0 FCAEMN CC[C@@H]1[C@@H](NC(=O)C2(C(=O)NC)CC2)CCN1C(=O)CCc1cnc[nH]1 ZINC001719551627 1288177427 /nfs/dbraw/zinc/17/74/27/1288177427.db2.gz UTAYCYRFQMVVFB-UONOGXRCSA-N 0 1 361.446 0.364 10 0 FCAEMN CCOCCOCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@@H]2C1 ZINC001719570886 1288188145 /nfs/dbraw/zinc/18/81/45/1288188145.db2.gz VIVVGLFGOMXBBQ-IKGGRYGDSA-N 0 1 367.490 0.441 10 0 FCAEMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1cnn(C)c1 ZINC001719899830 1288197739 /nfs/dbraw/zinc/19/77/39/1288197739.db2.gz JXSBYALQQLZTLM-DXEWXGHRSA-N 0 1 370.457 0.813 10 0 FCAEMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001719899927 1288198679 /nfs/dbraw/zinc/19/86/79/1288198679.db2.gz NHFCRJLUMPAXEB-CTGACOHQSA-N 0 1 358.442 0.729 10 0 FCAEMN CCC(=O)NCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C2 ZINC001719900183 1288198910 /nfs/dbraw/zinc/19/89/10/1288198910.db2.gz UBRRJNUGMRHIDQ-MYPMTAMASA-N 0 1 361.446 0.363 10 0 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359.386 0.367 10 0 FCAEMN C[C@@H](C(=O)N1CC[N@H+]2CC[C@H]1C2)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000861861394 1209886296 /nfs/dbraw/zinc/88/62/96/1209886296.db2.gz SYEGGTDMKAVDKR-KBPBESRZSA-N 0 1 366.462 0.371 10 0 FCAEMN CC(C)(C)OC(=O)N1CC[C@@H](c2[nH]ncc2C(=O)N2C[C@H](O)[C@@H](O)C2)C1 ZINC000862583912 1209914582 /nfs/dbraw/zinc/91/45/82/1209914582.db2.gz RCAZZYNPAYFROR-WXHSDQCUSA-N 0 1 366.418 0.312 10 0 FCAEMN COC(=O)C1=CC[C@H](NC(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)C1 ZINC000862668363 1209921289 /nfs/dbraw/zinc/92/12/89/1209921289.db2.gz LYIXHPUKLICDQY-LBPRGKRZSA-N 0 1 369.381 0.868 10 0 FCAEMN COc1ncc(CCNC(=O)c2cccc(N3CCN(C)CC3)n2)cn1 ZINC000863445421 1209941660 /nfs/dbraw/zinc/94/16/60/1209941660.db2.gz ZXBNCWZCOWTYGL-UHFFFAOYSA-N 0 1 356.430 0.605 10 0 FCAEMN CC(C)[C@H](CN1C(=O)N[C@@H](C[C@@H]2CCCOC2)C1=O)N1CCN(C)CC1 ZINC000863501478 1209943711 /nfs/dbraw/zinc/94/37/11/1209943711.db2.gz NAMFTNYXYUTPTC-ULQDDVLXSA-N 0 1 366.506 0.996 10 0 FCAEMN O=C(N[C@H](c1nn[nH]n1)c1ccccc1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000863861452 1209954445 /nfs/dbraw/zinc/95/44/45/1209954445.db2.gz XOUBRCAGRHDKAG-YWAHFTAISA-N 0 1 355.354 0.126 10 0 FCAEMN COc1ccc(N2C(=O)C[C@H](N3C[C@@H]4COC(=O)[C@@H]4C3)C2=O)cc1OC ZINC000864350675 1209958286 /nfs/dbraw/zinc/95/82/86/1209958286.db2.gz KOMBEGLLWUZDRK-RTXFEEFZSA-N 0 1 360.366 0.441 10 0 FCAEMN COc1ccc(N2C(=O)C[C@H](N3C[C@@H]4COC(=O)[C@@H]4C3)C2=O)c(OC)c1 ZINC000864351387 1209958314 /nfs/dbraw/zinc/95/83/14/1209958314.db2.gz RNVXVJQKMRUVDE-QKCSRTOESA-N 0 1 360.366 0.441 10 0 FCAEMN CCOC(=O)[C@]1(C)CC(=O)N(CN2C[C@H]3COCC[C@@]3(C(=O)OC)C2)C1 ZINC000794683237 1209958962 /nfs/dbraw/zinc/95/89/62/1209958962.db2.gz JCEJYKPDUYLAMB-MORSLUCNSA-N 0 1 368.430 0.257 10 0 FCAEMN CCN1CCN(c2ccc(CNC(=O)/C=C/CN3CCOCC3)cn2)CC1 ZINC000864895211 1209966977 /nfs/dbraw/zinc/96/69/77/1209966977.db2.gz HFPUKPAFCPAMFV-ONEGZZNKSA-N 0 1 373.501 0.728 10 0 FCAEMN CCO[C@@H](C(=O)NCc1ccnc(N2CCN(C)CC2)c1)[C@@H]1CCOC1 ZINC000864895472 1209967166 /nfs/dbraw/zinc/96/71/66/1209967166.db2.gz ORCADTGFOTUFHM-SJLPKXTDSA-N 0 1 362.474 0.891 10 0 FCAEMN CO[C@@H]1CN2C(=O)N(Cc3ccc(N4CCN(C)CC4)nc3)C(=O)[C@@]2(C)C1 ZINC000865299109 1209975581 /nfs/dbraw/zinc/97/55/81/1209975581.db2.gz SJQUXCAYXZGUOE-HNAYVOBHSA-N 0 1 373.457 0.775 10 0 FCAEMN Cn1nccc1-c1ccnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000865619982 1209981691 /nfs/dbraw/zinc/98/16/91/1209981691.db2.gz YAEULFYZIBUWKX-INIZCTEOSA-N 0 1 355.446 0.620 10 0 FCAEMN C[C@H](CNC(=O)c1coc2c1C(=O)NCC(C)(C)C2)N1CCN(C)CC1 ZINC000865816775 1209986553 /nfs/dbraw/zinc/98/65/53/1209986553.db2.gz REWOKSUFNNANTJ-CYBMUJFWSA-N 0 1 362.474 0.957 10 0 FCAEMN CCO[C@@H]1COCC[C@@H]1CC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000865905134 1209987778 /nfs/dbraw/zinc/98/77/78/1209987778.db2.gz XZPOFBDSUKHCMG-KZNAEPCWSA-N 0 1 369.506 0.341 10 0 FCAEMN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1cccn(C2CC2)c1=O ZINC000865904974 1209988062 /nfs/dbraw/zinc/98/80/62/1209988062.db2.gz VVUCQDDCJNRWEO-HNNXBMFYSA-N 0 1 360.458 0.320 10 0 FCAEMN Cc1nn(-c2cccnc2)nc1C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000866379009 1209996071 /nfs/dbraw/zinc/99/60/71/1209996071.db2.gz DSJFBYXMZQKKIP-OAHLLOKOSA-N 0 1 356.430 0.765 10 0 FCAEMN O=C1COC[C@]2(CN[C@@H](c3nnc[nH]3)c3ccc(F)cc3)COCCN12 ZINC000866552291 1209998196 /nfs/dbraw/zinc/99/81/96/1209998196.db2.gz HUNAGIJSMBNVSX-WBVHZDCISA-N 0 1 361.377 0.251 10 0 FCAEMN CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000866823174 1210006619 /nfs/dbraw/zinc/00/66/19/1210006619.db2.gz JWYZZEJAFJVDOI-CYBMUJFWSA-N 0 1 363.462 0.936 10 0 FCAEMN CC(C)(C)N1CC[C@@H]1CNC(=O)C(=O)N1CCCCCCNC(=O)CC1 ZINC000867696655 1210023617 /nfs/dbraw/zinc/02/36/17/1210023617.db2.gz QFUFZGVQKOEVDK-OAHLLOKOSA-N 0 1 366.506 0.884 10 0 FCAEMN CO[C@H]1CC[C@H](C)N(C(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)C1 ZINC000867718762 1210025587 /nfs/dbraw/zinc/02/55/87/1210025587.db2.gz NFKVQRRRFKMHCY-BBWFWOEESA-N 0 1 367.490 0.583 10 0 FCAEMN CN1CCN(C(=O)C(=O)NC[C@H]2CCN2C(C)(C)C)Cc2cccnc21 ZINC000867879199 1210035495 /nfs/dbraw/zinc/03/54/95/1210035495.db2.gz VISUUBFCGTVHPA-OAHLLOKOSA-N 0 1 359.474 0.849 10 0 FCAEMN C[C@H](CN1CCN(C)CC1)NC(=O)NC[C@H]1CC(=O)c2ccccc2O1 ZINC000868371948 1210056632 /nfs/dbraw/zinc/05/66/32/1210056632.db2.gz JAXICQDFWHXUSX-HUUCEWRRSA-N 0 1 360.458 0.956 10 0 FCAEMN COc1ccc([C@@H]2CN(C(=O)C(=O)N3C[C@H](C)NC[C@H]3C)CCO2)cc1 ZINC000868386717 1210058751 /nfs/dbraw/zinc/05/87/51/1210058751.db2.gz KRUAYWMWQOBIGD-VBQJREDUSA-N 0 1 361.442 0.804 10 0 FCAEMN COc1ccc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H](F)[C@H](N)C3)CCO2)cc1 ZINC000868395444 1210062191 /nfs/dbraw/zinc/06/21/91/1210062191.db2.gz MIARGIZPYUYOAI-OAGGEKHMSA-N 0 1 365.405 0.493 10 0 FCAEMN O=C([C@@H](O)c1c[nH]cn1)N1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000869134078 1210085510 /nfs/dbraw/zinc/08/55/10/1210085510.db2.gz ODBUXVKNUAQVEF-INIZCTEOSA-N 0 1 356.361 0.807 10 0 FCAEMN C[C@H]1CN(C(=O)COC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CCO1 ZINC000869832123 1210096929 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/nfs/dbraw/zinc/91/59/36/1210915936.db2.gz CEQXRJHVQKDDSK-XGPLWKRDSA-N 0 1 361.486 0.930 10 0 FCAEMN C[C@H]1CCCN(C(=O)CNC/C=C/CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001274219461 1210916039 /nfs/dbraw/zinc/91/60/39/1210916039.db2.gz CEQXRJHVQKDDSK-BQCILVIBSA-N 0 1 361.486 0.930 10 0 FCAEMN C[C@@H](CNCc1nc2ccccc2n1C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001275309768 1211213791 /nfs/dbraw/zinc/21/37/91/1211213791.db2.gz LLFKDGBLFXKYMX-TUKIKUTGSA-N 0 1 359.430 0.201 10 0 FCAEMN CNC(=O)c1[nH]nnc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC001275431177 1211236015 /nfs/dbraw/zinc/23/60/15/1211236015.db2.gz DYWNIFIUHIADPT-UHFFFAOYSA-N 0 1 356.386 0.655 10 0 FCAEMN CCc1nnc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)o1 ZINC001276056798 1211341998 /nfs/dbraw/zinc/34/19/98/1211341998.db2.gz LCWCRNNBFPWHPP-VXGBXAGGSA-N 0 1 360.418 0.212 10 0 FCAEMN Cc1ncc(CN2CC(CCO)(NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)cn1 ZINC001276056912 1211342768 /nfs/dbraw/zinc/34/27/68/1211342768.db2.gz 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0.877 10 0 FCAEMN CC(=O)N[C@](C)(C(=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1C)C(C)C ZINC001513232968 1264980485 /nfs/dbraw/zinc/98/04/85/1264980485.db2.gz HQSKBJLDCLCUMP-DWQUBVKVSA-N 0 1 363.462 0.466 10 0 FCAEMN CNC(=O)NC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)C[C@@H]2C1 ZINC001325752760 1264984071 /nfs/dbraw/zinc/98/40/71/1264984071.db2.gz VFYTXCHFKMSNSV-GAUGTXIDSA-N 0 1 362.474 0.657 10 0 FCAEMN Cc1c(C(=O)N[C@@H]2CN(C(=O)CC(=O)N(C)C)C[C@H]2C)ccc2cncn21 ZINC001513239408 1264985654 /nfs/dbraw/zinc/98/56/54/1264985654.db2.gz KIJTVUDGHVIUKC-MLGOLLRUSA-N 0 1 371.441 0.698 10 0 FCAEMN CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@H]1C ZINC001513254221 1264996768 /nfs/dbraw/zinc/99/67/68/1264996768.db2.gz ZEDKDEMQOHFYTO-LALPHHSUSA-N 0 1 363.462 0.466 10 0 FCAEMN C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1NC(=O)COCC(F)F ZINC001513254724 1264997792 /nfs/dbraw/zinc/99/77/92/1264997792.db2.gz FWAIEDOVNBINCE-ZIAGYGMSSA-N 0 1 361.433 0.963 10 0 FCAEMN CC(C)C[C@@H]1C[C@H]1C(=O)NCCN1CCC(NCc2nnn(C)n2)CC1 ZINC001325806645 1264999104 /nfs/dbraw/zinc/99/91/04/1264999104.db2.gz UTZNRHGPODDPOZ-GDBMZVCRSA-N 0 1 363.510 0.563 10 0 FCAEMN O=C(Nc1ccc2c(c1)NC(=O)CC2)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC001325909796 1265021240 /nfs/dbraw/zinc/02/12/40/1265021240.db2.gz RDYMBWGCPBEFAZ-LBPRGKRZSA-N 0 1 353.382 0.907 10 0 FCAEMN Cc1ccccc1COCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001513316777 1265031523 /nfs/dbraw/zinc/03/15/23/1265031523.db2.gz VFWZGRBMRWRDAD-GDBMZVCRSA-N 0 1 371.441 0.836 10 0 FCAEMN C[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1NC(=O)CCc1c[nH]nn1 ZINC001513315188 1265031595 /nfs/dbraw/zinc/03/15/95/1265031595.db2.gz RQTAKSSLVZNZJK-BXKDBHETSA-N 0 1 350.810 0.996 10 0 FCAEMN C[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1NC(=O)CCc1cnn[nH]1 ZINC001513315188 1265031609 /nfs/dbraw/zinc/03/16/09/1265031609.db2.gz RQTAKSSLVZNZJK-BXKDBHETSA-N 0 1 350.810 0.996 10 0 FCAEMN CO[C@@H]1CN(C(=O)C[C@@H](C)C(C)C)C[C@H]1NC(=O)CCc1nc[nH]n1 ZINC001513356405 1265059953 /nfs/dbraw/zinc/05/99/53/1265059953.db2.gz UJKJHBBREGWAQG-MGPQQGTHSA-N 0 1 351.451 0.762 10 0 FCAEMN C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C[C@@H]1C(=O)[O-] ZINC001326187236 1265074941 /nfs/dbraw/zinc/07/49/41/1265074941.db2.gz HIFUKVREWXSCEZ-CABCVRRESA-N 0 1 361.446 0.558 10 0 FCAEMN CO[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001513381616 1265076960 /nfs/dbraw/zinc/07/69/60/1265076960.db2.gz UVFURQIQCAQSOP-APHBMKBZSA-N 0 1 357.414 0.639 10 0 FCAEMN CO[C@@H]1CN(C(=O)[C@@H](C)OCC2CC2)C[C@H]1NC(=O)CN1CCCC1 ZINC001513385298 1265081340 /nfs/dbraw/zinc/08/13/40/1265081340.db2.gz WXOFOCIARGYPTP-FVQBIDKESA-N 0 1 353.463 0.239 10 0 FCAEMN CO[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1NC(=O)C[C@H](C)C(F)(F)F ZINC001513422851 1265113613 /nfs/dbraw/zinc/11/36/13/1265113613.db2.gz ZPZFETKJCWQVRV-FXBDTBDDSA-N 0 1 363.340 0.657 10 0 FCAEMN CCN(C(=O)C(=O)N1CCN(CC2CCOCC2)CC1)[C@H]1CCCOC1 ZINC001326535407 1265128657 /nfs/dbraw/zinc/12/86/57/1265128657.db2.gz ZREQTBPPZGGTJE-KRWDZBQOSA-N 0 1 367.490 0.585 10 0 FCAEMN C/C=C(/C)C(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2Br)C[C@@H]1O ZINC001513488415 1265150051 /nfs/dbraw/zinc/15/00/51/1265150051.db2.gz UEOSAVGUBHDDBP-KMHQNLKDSA-N 0 1 357.208 0.440 10 0 FCAEMN CCON(C)C(=O)CNC(=O)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC001326701041 1265153427 /nfs/dbraw/zinc/15/34/27/1265153427.db2.gz AXCTULISUVAUQL-CQSZACIVSA-N 0 1 368.409 0.071 10 0 FCAEMN O=C(CN1CCCC1)N[C@@H]1CN(C(=O)CCCc2ccccn2)C[C@@H]1O ZINC001513520041 1265173657 /nfs/dbraw/zinc/17/36/57/1265173657.db2.gz VESZHWQTVJUEIA-SJORKVTESA-N 0 1 360.458 0.188 10 0 FCAEMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H]1O ZINC001513523976 1265178550 /nfs/dbraw/zinc/17/85/50/1265178550.db2.gz DCQLROVCJGZJMH-XZJROXQQSA-N 0 1 360.389 0.729 10 0 FCAEMN CCN(CC)C[C@H](F)C(=O)N[C@@H]1CN(C(=O)/C=C/C(C)(C)C)C[C@@H]1O ZINC001513533663 1265186219 /nfs/dbraw/zinc/18/62/19/1265186219.db2.gz OXJVBCFVDCXGLT-DHDSJRAHSA-N 0 1 357.470 0.957 10 0 FCAEMN CN(CC(=O)N[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@@H]1O)C1CCC1 ZINC001513539388 1265191645 /nfs/dbraw/zinc/19/16/45/1265191645.db2.gz PNXCEUHTQZWYPA-NEPJUHHUSA-N 0 1 355.435 0.673 10 0 FCAEMN Cn1ccnc1CN1CCC(C(=O)N2CCN(Cc3nnc[nH]3)CC2)CC1 ZINC001326892890 1265193177 /nfs/dbraw/zinc/19/31/77/1265193177.db2.gz IRFGFBFZHPRQQR-UHFFFAOYSA-N 0 1 372.477 0.095 10 0 FCAEMN O=C(NCCc1ccc2ccccc2c1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001326902081 1265194555 /nfs/dbraw/zinc/19/45/55/1265194555.db2.gz SPJLKXMITDSLCI-RBUKOAKNSA-N 0 1 367.449 0.776 10 0 FCAEMN CC(C)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC2(F)F)C1)N1CCN(C)CC1 ZINC001326950040 1265206157 /nfs/dbraw/zinc/20/61/57/1265206157.db2.gz YLTCZZUSFBNBRW-PBHICJAKSA-N 0 1 372.460 0.632 10 0 FCAEMN CC(C)[C@H](F)C(=O)N1C[C@@H](NC(=O)CCCCc2cn[nH]n2)[C@@H](O)C1 ZINC001513573869 1265220616 /nfs/dbraw/zinc/22/06/16/1265220616.db2.gz VUGJJEVOGBSLNQ-IPYPFGDCSA-N 0 1 355.414 0.200 10 0 FCAEMN CC[C@@H]1CCO[C@@H]1C(=O)N(C)CCCN(C)CC(=O)NC1CCOCC1 ZINC001327212429 1265256507 /nfs/dbraw/zinc/25/65/07/1265256507.db2.gz FKMJZHWMORRVIS-QAPCUYQASA-N 0 1 369.506 0.877 10 0 FCAEMN CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3ccc4[nH]nnc4c3)C[C@H]21 ZINC001513758447 1265273875 /nfs/dbraw/zinc/27/38/75/1265273875.db2.gz DDHGWWYIBNRDFQ-OWRWGESLSA-N 0 1 370.413 0.155 10 0 FCAEMN COC1CC(CCNC(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)C1 ZINC001327322786 1265285311 /nfs/dbraw/zinc/28/53/11/1265285311.db2.gz JKCAWVWYNMOWIT-AQFXKWCLSA-N 0 1 367.490 0.489 10 0 FCAEMN Cc1nc([C@@H]2COCCN2C(=O)C(=O)NC[C@@H]2CCN2C(C)(C)C)no1 ZINC001327369342 1265292607 /nfs/dbraw/zinc/29/26/07/1265292607.db2.gz TUMFXTVZWNEJDK-STQMWFEESA-N 0 1 365.434 0.267 10 0 FCAEMN CCN(CC)C[C@@H](F)C(=O)N1C[C@H]2CCN(C(=O)c3ccncn3)C[C@H]21 ZINC001513926170 1265297742 /nfs/dbraw/zinc/29/77/42/1265297742.db2.gz QTBTYRSJWGPASC-IIAWOOMASA-N 0 1 363.437 0.829 10 0 FCAEMN CCCOCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CN1CCOCC1 ZINC001514286913 1265334557 /nfs/dbraw/zinc/33/45/57/1265334557.db2.gz BRYJLPCCYKZNDS-BRWVUGGUSA-N 0 1 369.506 0.925 10 0 FCAEMN CN1CC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CO[C@H]2CCOC2)=NC1=O ZINC001514387551 1265346279 /nfs/dbraw/zinc/34/62/79/1265346279.db2.gz VCGXBMXLESEKRP-YNEHKIRRSA-N 0 1 366.418 0.088 10 0 FCAEMN CC[C@H](CNC(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21)N1CCc2ccccc2C1 ZINC001327506495 1265346636 /nfs/dbraw/zinc/34/66/36/1265346636.db2.gz NAMJGUGXRZUIFA-BDXSIMOUSA-N 0 1 357.454 0.701 10 0 FCAEMN CN(C[C@@H]1CCN1C(=O)[C@@H]1CCO[C@H]1C1CC1)C(=O)CCc1c[nH]nn1 ZINC001514746802 1265370502 /nfs/dbraw/zinc/37/05/02/1265370502.db2.gz KBVQJGRKODBOBL-UXLLHSPISA-N 0 1 361.446 0.612 10 0 FCAEMN CN(C[C@@H]1CCN1C(=O)[C@@H]1CCO[C@H]1C1CC1)C(=O)CCc1cnn[nH]1 ZINC001514746802 1265370508 /nfs/dbraw/zinc/37/05/08/1265370508.db2.gz KBVQJGRKODBOBL-UXLLHSPISA-N 0 1 361.446 0.612 10 0 FCAEMN CNC(=O)CCCC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001514823310 1265378899 /nfs/dbraw/zinc/37/88/99/1265378899.db2.gz MJXXMPIVMWGOKW-XJFOESAGSA-N 0 1 361.446 0.441 10 0 FCAEMN CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001514885351 1265383073 /nfs/dbraw/zinc/38/30/73/1265383073.db2.gz PECCUQQGSROJJD-XJFOESAGSA-N 0 1 361.446 0.439 10 0 FCAEMN CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C)C1 ZINC001515001593 1265396912 /nfs/dbraw/zinc/39/69/12/1265396912.db2.gz CVQIABYFMZEZII-RRFJBIMHSA-N 0 1 352.479 0.396 10 0 FCAEMN CCN(Cc1c[nH]c2ccccc12)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001327698168 1265399455 /nfs/dbraw/zinc/39/94/55/1265399455.db2.gz AECVXYHVOAAKCX-JKSUJKDBSA-N 0 1 370.453 0.794 10 0 FCAEMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2cc[nH]n2)C1 ZINC001515017207 1265399436 /nfs/dbraw/zinc/39/94/36/1265399436.db2.gz JYVYZHIHYBPRAD-HZSPNIEDSA-N 0 1 358.446 0.955 10 0 FCAEMN CCCn1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)CN3CCCC3)C2)nn1 ZINC001515050510 1265407136 /nfs/dbraw/zinc/40/71/36/1265407136.db2.gz HNNBZGKUFFLTPH-LSDHHAIUSA-N 0 1 362.478 0.799 10 0 FCAEMN CNC(=O)CC(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2[nH]nc3ccccc32)C1 ZINC001515067773 1265413641 /nfs/dbraw/zinc/41/36/41/1265413641.db2.gz KHMCJWCPZRPHTC-QWHCGFSZSA-N 0 1 371.441 0.643 10 0 FCAEMN O=C(COC1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1nc[nH]n1 ZINC001522235813 1266432663 /nfs/dbraw/zinc/43/26/63/1266432663.db2.gz NGJQJAKNALVYKW-YUELXQCFSA-N 0 1 361.446 0.945 10 0 FCAEMN CN(C[C@@H](O)CNCc1cc(C2CC2)no1)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001332575029 1266433930 /nfs/dbraw/zinc/43/39/30/1266433930.db2.gz JWRKNMFOJZPNSB-RDBSUJKOSA-N 0 1 364.446 0.363 10 0 FCAEMN CC(C)n1cnc(NC(=O)C(=O)NC[C@@H](c2nc[nH]n2)c2ccccc2)n1 ZINC001332610440 1266441842 /nfs/dbraw/zinc/44/18/42/1266441842.db2.gz IIOQJAJSPACKSP-CYBMUJFWSA-N 0 1 368.401 0.864 10 0 FCAEMN C[C@@H]1CN(C(=O)CN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CC(C)(C)O1 ZINC001332653415 1266451894 /nfs/dbraw/zinc/45/18/94/1266451894.db2.gz OFESFTVCWZJUMF-KZULUSFZSA-N 0 1 366.462 0.322 10 0 FCAEMN O=C(CCc1ccncn1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH]cn1 ZINC001522285158 1266465298 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FCAEMN CCN(C(=O)C(=O)N1CC[C@@H](n2cc(Cl)cn2)C1)[C@H]1CCN(C)C1 ZINC000658800995 493059351 /nfs/dbraw/zinc/05/93/51/493059351.db2.gz DWQMWOJOHTZXQF-UONOGXRCSA-N 0 1 353.854 0.863 10 0 FCAEMN COc1cccc([C@@H](CNC(=O)[C@H]2CCN=C3C2=NNN3C)N(C)C)c1 ZINC000646573642 493059996 /nfs/dbraw/zinc/05/99/96/493059996.db2.gz RUMFKJOJFSVVGX-LSDHHAIUSA-N 0 1 358.446 0.639 10 0 FCAEMN CCN(C(=O)C(=O)N1CCN(c2cccs2)CC1)[C@H]1CCN(C)C1 ZINC000658802521 493060715 /nfs/dbraw/zinc/06/07/15/493060715.db2.gz OGIXJLZJMNYUID-AWEZNQCLSA-N 0 1 350.488 0.949 10 0 FCAEMN CC[C@@H]1CN(C(=O)C(=O)N(CC)[C@H]2CCN(C)C2)C[C@@]2(CCOC2)O1 ZINC000658804971 493061230 /nfs/dbraw/zinc/06/12/30/493061230.db2.gz YYFLVAHQAZTGGT-HDMKZQKVSA-N 0 1 353.463 0.336 10 0 FCAEMN CCN(C(=O)C(=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1)[C@@H]1CCN(C)C1 ZINC000658803732 493061273 /nfs/dbraw/zinc/06/12/73/493061273.db2.gz PWCIUFVTURJLGC-IXDOHACOSA-N 0 1 351.491 0.939 10 0 FCAEMN CCN(C(=O)C(=O)N1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000658803874 493061686 /nfs/dbraw/zinc/06/16/86/493061686.db2.gz RDKUACGLNGYHBJ-ZACQAIPSSA-N 0 1 372.469 0.267 10 0 FCAEMN CCN(C(=O)C(=O)N1CCN(Cc2cccs2)CC1)[C@H]1CCN(C)C1 ZINC000658809117 493064308 /nfs/dbraw/zinc/06/43/08/493064308.db2.gz ZOVMGMSTZGUTIK-HNNXBMFYSA-N 0 1 364.515 0.945 10 0 FCAEMN CCN(C(=O)C(=O)N1CCN(C(=O)C(C)(C)C)CC1)[C@H]1CCN(C)C1 ZINC000658807668 493064577 /nfs/dbraw/zinc/06/45/77/493064577.db2.gz QHHBNBRYBOTKHD-AWEZNQCLSA-N 0 1 352.479 0.256 10 0 FCAEMN CCN1C(=O)CO[C@H](C(=O)N2CCN3CCC2CC3)[C@H]1c1ccnn1C ZINC000632714545 493070965 /nfs/dbraw/zinc/07/09/65/493070965.db2.gz CIXKNFDCCRGKHA-SJORKVTESA-N 0 1 361.446 0.015 10 0 FCAEMN CC(C)(C)N1CC[C@H]1CNC(=O)C(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000632736190 493080249 /nfs/dbraw/zinc/08/02/49/493080249.db2.gz SZZJISMJXZUYMN-SDDRHHMPSA-N 0 1 365.396 0.605 10 0 FCAEMN COCC1(CCNC(=O)N2CCN(C(=O)N3CCNCC3)CC2)CC1 ZINC000627107185 493088131 /nfs/dbraw/zinc/08/81/31/493088131.db2.gz PCOUXJJUOHSBLP-UHFFFAOYSA-N 0 1 353.467 0.156 10 0 FCAEMN CO[C@@H]1CCCC[C@H]1NC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000627110657 493089044 /nfs/dbraw/zinc/08/90/44/493089044.db2.gz JSUBBHSGLQRBTO-HUUCEWRRSA-N 0 1 353.467 0.296 10 0 FCAEMN CN1CCN(Cc2cccc(NC(=O)C(=O)N3CCC4(COC4)C3)c2)CC1 ZINC000658863931 493089119 /nfs/dbraw/zinc/08/91/19/493089119.db2.gz FSOAYFJETIPYDG-UHFFFAOYSA-N 0 1 372.469 0.621 10 0 FCAEMN CCCN(C(=O)C(=O)Nc1cccnc1OCCOC)[C@H]1CCN(C)C1 ZINC000646766982 493093723 /nfs/dbraw/zinc/09/37/23/493093723.db2.gz JDYUVYCESBFYJC-AWEZNQCLSA-N 0 1 364.446 0.988 10 0 FCAEMN CN(CCCN(C)C(=O)C(=O)N1CCc2nccnc2C1)Cc1ccco1 ZINC000658896560 493103212 /nfs/dbraw/zinc/10/32/12/493103212.db2.gz SBXLRWBMEDQJHC-UHFFFAOYSA-N 0 1 371.441 0.935 10 0 FCAEMN CC[C@@H]1CO[C@@H](CC)CN1C(=O)C(=O)NCCCCN1CCOCC1 ZINC000653370361 493105054 /nfs/dbraw/zinc/10/50/54/493105054.db2.gz LTCLLNJJTZMYSV-CVEARBPZSA-N 0 1 355.479 0.631 10 0 FCAEMN O=C(NC[C@@H]1COCCN1)N1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000627190384 493105405 /nfs/dbraw/zinc/10/54/05/493105405.db2.gz IVUBRLAZCNACQX-CQSZACIVSA-N 0 1 374.420 0.522 10 0 FCAEMN O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000627225423 493110698 /nfs/dbraw/zinc/11/06/98/493110698.db2.gz XKRYAPVXYSFWJI-FGTMMUONSA-N 0 1 359.474 0.818 10 0 FCAEMN CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCN2CCOC)[C@H](CC)CO1 ZINC000653388835 493114144 /nfs/dbraw/zinc/11/41/44/493114144.db2.gz NGKKFBKSXLOCBI-BZUAXINKSA-N 0 1 355.479 0.629 10 0 FCAEMN CC1CC(n2nnc3c2CN(C(=O)C(=O)N2C[C@@H](C)NC[C@H]2C)CC3)C1 ZINC000633103789 493127235 /nfs/dbraw/zinc/12/72/35/493127235.db2.gz VQAUFIPNRFQMQC-CEUNDQEZSA-N 0 1 360.462 0.343 10 0 FCAEMN CN1CCc2cc(NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)N4)ccc2C1=O ZINC000659086448 493146384 /nfs/dbraw/zinc/14/63/84/493146384.db2.gz WPMKQIVITSKFPO-GASCZTMLSA-N 0 1 356.426 0.606 10 0 FCAEMN COCCN1CC[C@H](NC(=O)C(=O)N(Cc2ccc(C)nc2)CC2CC2)C1 ZINC000647029057 493149481 /nfs/dbraw/zinc/14/94/81/493149481.db2.gz JGOJFTOISNBSND-SFHVURJKSA-N 0 1 374.485 0.966 10 0 FCAEMN C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000647033095 493149874 /nfs/dbraw/zinc/14/98/74/493149874.db2.gz NUBRDZFUKNSMEN-LLVKDONJSA-N 0 1 350.394 0.150 10 0 FCAEMN COCc1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCN2C)cc1OC ZINC000627323711 493153071 /nfs/dbraw/zinc/15/30/71/493153071.db2.gz CYQZEDHTUDVNHY-HNNXBMFYSA-N 0 1 364.446 0.142 10 0 FCAEMN Cc1nnc(-c2cccc(NC(=O)C(=O)N3CC[C@@H](F)[C@H](N)C3)c2)n1C ZINC000659108649 493156399 /nfs/dbraw/zinc/15/63/99/493156399.db2.gz PMXCIRYIHZZVLV-ZIAGYGMSSA-N 0 1 360.393 0.627 10 0 FCAEMN N[C@@H]1CN(C(=O)C(=O)Nc2cc(C3CC3)nn2-c2ncccn2)CC[C@H]1F ZINC000659108636 493156429 /nfs/dbraw/zinc/15/64/29/493156429.db2.gz PFRMAIQJMQUNIG-VXGBXAGGSA-N 0 1 373.392 0.376 10 0 FCAEMN CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)c(C)c1 ZINC000659109288 493157416 /nfs/dbraw/zinc/15/74/16/493157416.db2.gz CFPRNAIJJLCWNS-CHWSQXEVSA-N 0 1 350.394 0.581 10 0 FCAEMN CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1Cl ZINC000659109866 493157842 /nfs/dbraw/zinc/15/78/42/493157842.db2.gz PUYKBUJGURSHAG-VXGBXAGGSA-N 0 1 356.785 0.536 10 0 FCAEMN N[C@@H]1CN(C(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)CC[C@H]1F ZINC000659110575 493158049 /nfs/dbraw/zinc/15/80/49/493158049.db2.gz MXQKPMJRYMGEPT-CHWSQXEVSA-N 0 1 373.388 0.179 10 0 FCAEMN N[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2-n2cncn2)CC[C@H]1F ZINC000659110367 493158600 /nfs/dbraw/zinc/15/86/00/493158600.db2.gz DKBADRPAPSNCNQ-GHMZBOCLSA-N 0 1 366.784 0.757 10 0 FCAEMN C[C@H]1CC[C@H](NC(=O)N(C)CCCN2CCN(C)CC2)CS1(=O)=O ZINC000666382377 493174383 /nfs/dbraw/zinc/17/43/83/493174383.db2.gz UTVGNVBTRPYOSM-GJZGRUSLSA-N 0 1 360.524 0.231 10 0 FCAEMN C[C@H]1CC[C@H](NC(=O)N2CCC(CN3CCOCC3)CC2)CS1(=O)=O ZINC000666390412 493178152 /nfs/dbraw/zinc/17/81/52/493178152.db2.gz KZFNQJUYXLXHII-HOCLYGCPSA-N 0 1 373.519 0.706 10 0 FCAEMN Cn1[nH]cnc1=NC(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000666421604 493182045 /nfs/dbraw/zinc/18/20/45/493182045.db2.gz OEJQGVZNAPNGGB-UHFFFAOYSA-N 0 1 355.446 0.713 10 0 FCAEMN Cn1cnnc1N1CCN(CCC(=O)N2CCc3sccc3C2)CC1 ZINC000653818102 493183383 /nfs/dbraw/zinc/18/33/83/493183383.db2.gz FCGQUMRADDVABI-UHFFFAOYSA-N 0 1 360.487 0.974 10 0 FCAEMN Nc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000659456184 493183962 /nfs/dbraw/zinc/18/39/62/493183962.db2.gz JAOWDBZXJHOYST-HKUYNNGSSA-N 0 1 373.501 0.962 10 0 FCAEMN CC(C)[C@@H]1CNCCN1C(=O)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000627378609 493187945 /nfs/dbraw/zinc/18/79/45/493187945.db2.gz QFDKSUTTZOFTKA-INIZCTEOSA-N 0 1 359.474 0.623 10 0 FCAEMN CS(=O)(=O)C1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCCCC1 ZINC000666483804 493189665 /nfs/dbraw/zinc/18/96/65/493189665.db2.gz CVURQCLKDAEAIJ-UONOGXRCSA-N 0 1 359.492 0.194 10 0 FCAEMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O ZINC000633800592 493190002 /nfs/dbraw/zinc/19/00/02/493190002.db2.gz UPALTXPLBZPNGE-ZFWWWQNUSA-N 0 1 356.426 0.984 10 0 FCAEMN CC[C@H](NCC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O)[C@@H]1CCCCO1 ZINC000653877177 493192041 /nfs/dbraw/zinc/19/20/41/493192041.db2.gz PSWCMQCTFTUVLE-AAEUAGOBSA-N 0 1 368.434 0.298 10 0 FCAEMN C[C@@H]1OCC[C@H]1c1nnc(N2CCN(CCC(=O)N(C)C)CC2)n1C ZINC000647358329 493196455 /nfs/dbraw/zinc/19/64/55/493196455.db2.gz PRGZIWBTZPCFEV-UONOGXRCSA-N 0 1 350.467 0.308 10 0 FCAEMN COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCc2cc(C)[nH]n2)CC1 ZINC000672539182 493197651 /nfs/dbraw/zinc/19/76/51/493197651.db2.gz UEGSXEQCZGQFFZ-UHFFFAOYSA-N 0 1 358.402 0.087 10 0 FCAEMN Cc1cc(CNC(=O)C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)n[nH]1 ZINC000672538961 493198987 /nfs/dbraw/zinc/19/89/87/493198987.db2.gz KHKVEOWBYJRWPQ-OAHLLOKOSA-N 0 1 355.398 0.598 10 0 FCAEMN CN1CCN(c2cc(CNC(=O)c3ccnc4c3CC(=O)N4)ccn2)CC1 ZINC000666536041 493200989 /nfs/dbraw/zinc/20/09/89/493200989.db2.gz ZAOLSOXJDVJDIF-UHFFFAOYSA-N 0 1 366.425 0.653 10 0 FCAEMN CCN1CCN(c2ccc(CNC(=O)C[C@@H]3CCC(=O)N3C)cn2)CC1 ZINC000666536759 493201170 /nfs/dbraw/zinc/20/11/70/493201170.db2.gz HMUUDJHCEFMGJV-INIZCTEOSA-N 0 1 359.474 0.851 10 0 FCAEMN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000681787628 493217008 /nfs/dbraw/zinc/21/70/08/493217008.db2.gz NBFOHDXLWKADJI-NEPJUHHUSA-N 0 1 356.386 0.318 10 0 FCAEMN CCN1CCN(c2ccc(CNC(=O)N3CC[C@H](CC(N)=O)C3)cn2)CC1 ZINC000672725134 493241327 /nfs/dbraw/zinc/24/13/27/493241327.db2.gz ZLGGCSWGGUGCLO-OAHLLOKOSA-N 0 1 374.489 0.630 10 0 FCAEMN Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)n[nH]1 ZINC000672748064 493244896 /nfs/dbraw/zinc/24/48/96/493244896.db2.gz BSTZCQUKXKYHDA-NILFDRSVSA-N 0 1 350.419 0.172 10 0 FCAEMN N[C@@H]1CN(C(=O)C(=O)NCc2ccc(Br)cc2)CC[C@H]1F ZINC000659680671 493248124 /nfs/dbraw/zinc/24/81/24/493248124.db2.gz QATZRNQOWQCEKW-VXGBXAGGSA-N 0 1 358.211 0.963 10 0 FCAEMN N[C@@H]1CN(C(=O)C(=O)NCc2cccc(Cn3cccn3)c2)CC[C@H]1F ZINC000659680852 493249249 /nfs/dbraw/zinc/24/92/49/493249249.db2.gz SBYWAPVOQZUYNM-HZPDHXFCSA-N 0 1 359.405 0.445 10 0 FCAEMN N[C@@H]1CN(C(=O)C(=O)NCc2csc(-c3ccco3)n2)CC[C@H]1F ZINC000659683237 493249957 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