smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H](NC(=O)[C@@H](CC)SC)C(=O)OC(C)(C)C ZINC000161442238 520746516 /nfs/dbraw/zinc/74/65/16/520746516.db2.gz UBUSOMJZYLICPI-GHMZBOCLSA-N 0 0 289.441 2.755 10 70 CFIERN CCC[C@@H](NC(=O)[C@H]1CC1(C)C)C(=O)OC(C)(C)C ZINC000161383548 520748683 /nfs/dbraw/zinc/74/86/83/520748683.db2.gz QZEWWZQMQBRDSO-GHMZBOCLSA-N 0 0 269.385 2.659 10 70 CFIERN CCC[C@H](NC(=O)C1=CCCC1)C(=O)OC(C)(C)C ZINC000161387563 521121876 /nfs/dbraw/zinc/12/18/76/521121876.db2.gz OSWNMAFVANAHHN-LBPRGKRZSA-N 0 0 267.369 2.723 10 70 CFIERN CCC[C@H](NC(=O)C[C@@H](C)SC)C(=O)OC(C)(C)C ZINC000161298370 521127195 /nfs/dbraw/zinc/12/71/95/521127195.db2.gz HHKWOWNCSWNGEZ-MNOVXSKESA-N 0 0 289.441 2.755 10 70 CFIERN CCCN(CCO)c1ccnc2c(F)cc(F)cc12 ZINC000159581326 521668335 /nfs/dbraw/zinc/66/83/35/521668335.db2.gz AOMZJLZJGJZIHX-UHFFFAOYSA-N 0 0 266.291 2.722 10 70 CFIERN CN(C)c1nc(CNc2nc(C(C)(C)C)ns2)cs1 ZINC000159804425 522320925 /nfs/dbraw/zinc/32/09/25/522320925.db2.gz GSOXTEAXSFEFDK-UHFFFAOYSA-N 0 0 297.453 2.970 10 70 CFIERN CNc1ncc(C(=O)N2CCC[C@H]2c2ccco2)s1 ZINC000160220612 522695039 /nfs/dbraw/zinc/69/50/39/522695039.db2.gz AIWFVEAYFYPFJK-VIFPVBQESA-N 0 0 277.349 2.755 10 70 CFIERN Fc1cccc(CN2CCO[C@H](c3nccs3)C2)c1F ZINC000161440771 526386826 /nfs/dbraw/zinc/38/68/26/526386826.db2.gz FKSCKVMWLLRGLY-LBPRGKRZSA-N 0 0 296.342 2.995 10 70 CFIERN Clc1ccc(CN2CCO[C@@H](c3nccs3)C2)cn1 ZINC000161442509 526946892 /nfs/dbraw/zinc/94/68/92/526946892.db2.gz LISLGQGNMLALIE-LLVKDONJSA-N 0 0 295.795 2.765 10 70 CFIERN O=C(Cl)c1cc(S(=O)(=O)Cl)c(Cl)cc1F ZINC000159134091 348010704 /nfs/dbraw/zinc/01/07/04/348010704.db2.gz LRQAQLKSYUHFOH-UHFFFAOYSA-N 0 0 291.514 2.786 10 70 CFIERN CCCC[C@H](NC(=O)[C@H]1C[C@@H]1C)C(=O)OC(C)(C)C ZINC000161166424 348023583 /nfs/dbraw/zinc/02/35/83/348023583.db2.gz YYDFUNXKUJXGSM-SRVKXCTJSA-N 0 0 269.385 2.659 10 70 CFIERN Fc1ccc(CN2CCO[C@@H](c3nccs3)C2)cc1F ZINC000161439160 348024653 /nfs/dbraw/zinc/02/46/53/348024653.db2.gz ULGBIXSVYRIAIU-CYBMUJFWSA-N 0 0 296.342 2.995 10 70 CFIERN CCC(CC)CNC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000160563187 188480580 /nfs/dbraw/zinc/48/05/80/188480580.db2.gz REKSTZZHHAKWDE-HNNXBMFYSA-N 0 0 292.427 2.974 10 70 CFIERN C[C@H](NC(=O)N1CCC[C@](C)(O)C1)c1ccc(F)c(F)c1 ZINC000159629399 378721782 /nfs/dbraw/zinc/72/17/82/378721782.db2.gz MWELLNJVLNZWFE-BONVTDFDSA-N 0 0 298.333 2.582 10 70 CFIERN C[C@@H](NC(=O)N1CCC[C@](C)(O)C1)c1ccc(F)c(F)c1 ZINC000159629537 378721809 /nfs/dbraw/zinc/72/18/09/378721809.db2.gz MWELLNJVLNZWFE-BMIGLBTASA-N 0 0 298.333 2.582 10 70 CFIERN COC(=O)CCC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000159628834 378721977 /nfs/dbraw/zinc/72/19/77/378721977.db2.gz JHGHQKOQFVRMNU-RISCZKNCSA-N 0 0 275.348 2.694 10 70 CFIERN CC[C@@H](NC(=O)C[C@H](O)C(C)C)c1ccc(F)cc1F ZINC000160547854 378780466 /nfs/dbraw/zinc/78/04/66/378780466.db2.gz WTOIOUXWRZIMHM-KGLIPLIRSA-N 0 0 285.334 2.939 10 70 CFIERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCCO1 ZINC000161245073 378833119 /nfs/dbraw/zinc/83/31/19/378833119.db2.gz GVLLTGLTHSUXTP-AXFHLTTASA-N 0 0 279.302 2.793 10 70 CFIERN CCC[C@H](C(=O)Nc1cccc(COC)c1)[NH+](C)C ZINC000161487194 378851514 /nfs/dbraw/zinc/85/15/14/378851514.db2.gz DZYHUWIATHWDCM-CQSZACIVSA-N 0 0 264.369 2.502 10 70 CFIERN CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CCO1 ZINC000159879988 287158402 /nfs/dbraw/zinc/15/84/02/287158402.db2.gz MQTPGJJIGVYYCQ-RBSFLKMASA-N 0 0 265.397 2.840 10 70 CFIERN CC1(C)CN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CCO1 ZINC000160357162 278314762 /nfs/dbraw/zinc/31/47/62/278314762.db2.gz GLUSOUNQJOZRKV-UONOGXRCSA-N 0 0 265.397 2.840 10 70 CFIERN CC1(C)CN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CCO1 ZINC000160357301 281215359 /nfs/dbraw/zinc/21/53/59/281215359.db2.gz GLUSOUNQJOZRKV-KBPBESRZSA-N 0 0 265.397 2.840 10 70 CFIERN CCn1ccnc1C[S@](=O)c1ncc(C(C)(C)C)s1 ZINC000160548138 322339376 /nfs/dbraw/zinc/33/93/76/322339376.db2.gz LECUKYOARHNRRS-LJQANCHMSA-N 0 0 297.449 2.965 10 70 CFIERN CCC[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)C(=O)OC(C)(C)C ZINC000161485803 322352580 /nfs/dbraw/zinc/35/25/80/322352580.db2.gz ADSMEKAFLUXKMG-AGIUHOORSA-N 0 0 281.396 2.659 10 70 CFIERN CCC[C@H](NC(=O)[C@@H](C)CSC)C(=O)OC(C)(C)C ZINC000161390148 521135906 /nfs/dbraw/zinc/13/59/06/521135906.db2.gz QHMGKEDSLWIQCL-QWRGUYRKSA-N 0 0 289.441 2.612 10 70 CFIERN CN(C[C@H](O)C1CC1)c1ccnc2c(F)cc(F)cc12 ZINC000159875094 523088102 /nfs/dbraw/zinc/08/81/02/523088102.db2.gz MGCSEMRBNQIXHF-AWEZNQCLSA-N 0 0 278.302 2.720 10 70 CFIERN O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCSCC1 ZINC000160819494 526562970 /nfs/dbraw/zinc/56/29/70/526562970.db2.gz CMEPVIMAIRMJRH-OLZOCXBDSA-N 0 0 253.411 2.778 10 70 CFIERN O=S(=O)(Cl)Cc1c(F)ccc(F)c1Cl ZINC000113447757 539430297 /nfs/dbraw/zinc/43/02/97/539430297.db2.gz FRIVTZRLIXIWGW-UHFFFAOYSA-N 0 0 261.076 2.687 10 70 CFIERN CCOC(OCC)[C@H](C)NC(=O)OCc1ccccc1 ZINC000218277648 348166265 /nfs/dbraw/zinc/16/62/65/348166265.db2.gz SDPKDRFUFZADID-LBPRGKRZSA-N 0 0 281.352 2.700 10 70 CFIERN O=C(NC[C@H]1C[C@@H]1c1cncnc1)OCc1ccccc1 ZINC000218280251 348166462 /nfs/dbraw/zinc/16/64/62/348166462.db2.gz BEOIYXPWNLWSIL-HIFRSBDPSA-N 0 0 283.331 2.507 10 70 CFIERN CC(C)(C)[C@H](O)CNC(=O)CCOc1cccc(Cl)c1 ZINC000159640782 541003102 /nfs/dbraw/zinc/00/31/02/541003102.db2.gz CROINALHXXJIET-CYBMUJFWSA-N 0 0 299.798 2.632 10 70 CFIERN CCc1ncnc(N[C@@H]2COc3ccccc32)c1F ZINC000217996272 189713106 /nfs/dbraw/zinc/71/31/06/189713106.db2.gz GPOHFUCNHDAUFV-LLVKDONJSA-N 0 0 259.284 2.724 10 70 CFIERN COC[C@H](C)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000159523578 378713717 /nfs/dbraw/zinc/71/37/17/378713717.db2.gz AAKLJYJMMHKNPT-NSHDSACASA-N 0 0 281.783 2.770 10 70 CFIERN CC[C@H](NC(=O)C[C@@H](O)C(C)C)c1ccc(F)cc1F ZINC000160547979 378781398 /nfs/dbraw/zinc/78/13/98/378781398.db2.gz WTOIOUXWRZIMHM-UONOGXRCSA-N 0 0 285.334 2.939 10 70 CFIERN c1cncc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000160609442 378786239 /nfs/dbraw/zinc/78/62/39/378786239.db2.gz IVVKXSVYYHZEFH-OAHLLOKOSA-N 0 0 297.406 2.737 10 70 CFIERN CC(C)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000161188358 378828958 /nfs/dbraw/zinc/82/89/58/378828958.db2.gz XUCPBIFDSTWANA-CQSZACIVSA-N 0 0 299.378 2.538 10 70 CFIERN C/C=C/C=C/C(=O)N[C@H](CCC)C(=O)OC(C)(C)C ZINC000161290384 378836212 /nfs/dbraw/zinc/83/62/12/378836212.db2.gz LIHGPPJASFEBPY-XYLXBDMMSA-N 0 0 267.369 2.745 10 70 CFIERN CCCOc1cccc(CC(=O)N[C@H](C)[C@H]2CCCO2)c1 ZINC000161479670 378849168 /nfs/dbraw/zinc/84/91/68/378849168.db2.gz NAOQKOTXOOIYEN-CZUORRHYSA-N 0 0 291.391 2.702 10 70 CFIERN Cc1cccc([C@@H](C)CNC(=O)C[C@@H](O)C(C)C)c1 ZINC000160752975 322342554 /nfs/dbraw/zinc/34/25/54/322342554.db2.gz NKVYWBWHGKIVEL-DZGCQCFKSA-N 0 0 263.381 2.622 10 70 CFIERN COC(=O)[C@@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000159873164 322329325 /nfs/dbraw/zinc/32/93/25/322329325.db2.gz MJHZELJDRLTXNK-CYBMUJFWSA-N 0 0 281.396 2.614 10 70 CFIERN CCC[C@H](NC(=O)C1CCCC1)C(=O)OC(C)(C)C ZINC000161467232 322351926 /nfs/dbraw/zinc/35/19/26/322351926.db2.gz SPQQGDRREMDXND-LBPRGKRZSA-N 0 0 269.385 2.803 10 70 CFIERN CC(C)(C)c1nsc(N[C@@H](CO)c2ccco2)n1 ZINC000159763516 519142704 /nfs/dbraw/zinc/14/27/04/519142704.db2.gz HRXVAUXJUKEOMJ-QMMMGPOBSA-N 0 0 267.354 2.574 10 70 CFIERN CC1(CNC(=O)N2CCC(c3cc[nH]n3)CC2)CCCC1 ZINC000159471305 520711570 /nfs/dbraw/zinc/71/15/70/520711570.db2.gz AOMJRQRRYDKLRJ-UHFFFAOYSA-N 0 0 290.411 2.879 10 70 CFIERN CCCC[C@@H](CC)CN1CCOC[C@@H]1c1nc(C)no1 ZINC000161024487 521026954 /nfs/dbraw/zinc/02/69/54/521026954.db2.gz YAUBRMXFOZYVQK-ZIAGYGMSSA-N 0 0 281.400 2.968 10 70 CFIERN CCC[C@H](NC(=O)C[C@@H]1CCCCO1)C(=O)OC(C)(C)C ZINC000161469781 521128258 /nfs/dbraw/zinc/12/82/58/521128258.db2.gz SYODWVIBPJRCKU-STQMWFEESA-N 0 0 299.411 2.572 10 70 CFIERN COc1ccc(CN2CCO[C@H](c3nccs3)C2)cc1 ZINC000161441361 524035564 /nfs/dbraw/zinc/03/55/64/524035564.db2.gz ORGLZAODMGLWGS-AWEZNQCLSA-N 0 0 290.388 2.725 10 70 CFIERN C[C@@H](CO)[C@H](C)Nc1ccnc2c(F)cc(F)cc12 ZINC000159595923 524816321 /nfs/dbraw/zinc/81/63/21/524816321.db2.gz JEUWHTURUYIVLJ-IUCAKERBSA-N 0 0 266.291 2.942 10 70 CFIERN O=S(=O)(c1ccc(O)cc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000218041497 527277660 /nfs/dbraw/zinc/27/76/60/527277660.db2.gz IGNIJULBLPBCRT-IUODEOHRSA-N 0 0 295.404 2.736 10 70 CFIERN C[C@H](NC(=O)c1cc(F)cc2cccnc21)[C@@H]1CCCO1 ZINC000160273611 378760639 /nfs/dbraw/zinc/76/06/39/378760639.db2.gz UPSKWGNJDWWBSL-HZMBPMFUSA-N 0 0 288.322 2.671 10 70 CFIERN COc1ccc([C@@H](C)CCNC(=O)C[C@@H](O)C(C)C)cc1 ZINC000160862385 378803323 /nfs/dbraw/zinc/80/33/23/378803323.db2.gz QZXPLSBJXGBXND-XJKSGUPXSA-N 0 0 293.407 2.712 10 70 CFIERN CCC[C@H](NC(=O)C[C@@H]1C=CCC1)C(=O)OC(C)(C)C ZINC000161420041 378846363 /nfs/dbraw/zinc/84/63/63/378846363.db2.gz JFCGAAGTGDUUFG-OLZOCXBDSA-N 0 0 281.396 2.969 10 70 CFIERN C[C@H]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)c2ccccc21 ZINC000159465111 279748018 /nfs/dbraw/zinc/74/80/18/279748018.db2.gz UFFLENQPDAFHFX-XHDPSFHLSA-N 0 0 282.343 2.743 10 70 CFIERN Cc1cc(C)cc(C[C@@H](C)NC(=O)C[C@@H](O)C(C)C)c1 ZINC000161092346 322346894 /nfs/dbraw/zinc/34/68/94/322346894.db2.gz YNYSZHQKGBJIDY-GDBMZVCRSA-N 0 0 277.408 2.758 10 70 CFIERN C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000161474317 322352491 /nfs/dbraw/zinc/35/24/91/322352491.db2.gz LXNUBEZRLSSENE-FRRDWIJNSA-N 0 0 296.411 2.643 10 70 CFIERN CCC[C@@H](NC(=O)C[C@H](C)SC)C(=O)OC(C)(C)C ZINC000161298676 520734466 /nfs/dbraw/zinc/73/44/66/520734466.db2.gz HHKWOWNCSWNGEZ-WDEREUQCSA-N 0 0 289.441 2.755 10 70 CFIERN C[C@H]1CC[C@@H](NC(=O)Cc2cc[nH]n2)c2ccccc21 ZINC000159598201 541000775 /nfs/dbraw/zinc/00/07/75/541000775.db2.gz ULVZJBOTRXKQQQ-XHDPSFHLSA-N 0 0 269.348 2.707 10 70 CFIERN CCCC[C@@H](NC(=O)CC(F)(F)F)C(=O)OC(C)(C)C ZINC000161202920 322348690 /nfs/dbraw/zinc/34/86/90/322348690.db2.gz HANOAVIYIFNHNR-SECBINFHSA-N 0 0 297.317 2.956 10 70 CFIERN CC(C)[N@H+]1C[C@H](NC(=O)c2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000161382815 322350711 /nfs/dbraw/zinc/35/07/11/322350711.db2.gz GIIUXAVZUZVLRA-LRDDRELGSA-N 0 0 285.391 2.626 10 70 CFIERN CC(C)(C)c1nsc(NCCOc2cccnc2)n1 ZINC000159484129 519140740 /nfs/dbraw/zinc/14/07/40/519140740.db2.gz TZGXRAQCIHJRMT-UHFFFAOYSA-N 0 0 278.381 2.722 10 70 CFIERN CCC[C@H](NC(=O)CC(F)(F)F)C(=O)OC(C)(C)C ZINC000161495848 521123639 /nfs/dbraw/zinc/12/36/39/521123639.db2.gz PPUSUIPOPNTNPC-QMMMGPOBSA-N 0 0 283.290 2.565 10 70 CFIERN CCC[C@H](NC(=O)[C@H](C)CSC)C(=O)OC(C)(C)C ZINC000161390412 521140332 /nfs/dbraw/zinc/14/03/32/521140332.db2.gz QHMGKEDSLWIQCL-MNOVXSKESA-N 0 0 289.441 2.612 10 70 CFIERN CCc1ccc(CN2CCOC[C@H]2c2nc(C)no2)cc1 ZINC000161057928 523927597 /nfs/dbraw/zinc/92/75/97/523927597.db2.gz GBEMCPDNINVFSY-HNNXBMFYSA-N 0 0 287.363 2.514 10 70 CFIERN Cc1cc(C(N)=S)cc(NCc2ccccc2)n1 ZINC000161189581 348023594 /nfs/dbraw/zinc/02/35/94/348023594.db2.gz DYWFPZDHYLASJN-UHFFFAOYSA-N 0 0 257.362 2.636 10 70 CFIERN CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1C)C(=O)OC(C)(C)C ZINC000161166199 348023908 /nfs/dbraw/zinc/02/39/08/348023908.db2.gz YYDFUNXKUJXGSM-TUAOUCFPSA-N 0 0 269.385 2.659 10 70 CFIERN Fc1ccc(CN2CCO[C@H](c3nccs3)C2)cc1F ZINC000161439004 348024680 /nfs/dbraw/zinc/02/46/80/348024680.db2.gz ULGBIXSVYRIAIU-ZDUSSCGKSA-N 0 0 296.342 2.995 10 70 CFIERN CCCC(O)(CCC)CC(=O)N[C@@H]1COc2ccccc21 ZINC000160997642 188502842 /nfs/dbraw/zinc/50/28/42/188502842.db2.gz BUCQQPFCCMOGAD-CQSZACIVSA-N 0 0 291.391 2.958 10 70 CFIERN Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@@H]1C[C@@H]1C ZINC000161280608 188519042 /nfs/dbraw/zinc/51/90/42/188519042.db2.gz GPPKPWMZQCONPB-JOYOIKCWSA-N 0 0 289.766 2.972 10 70 CFIERN Cc1csc(C2(NC(=O)C[C@@H](O)C(C)C)CCCC2)n1 ZINC000159891012 378736966 /nfs/dbraw/zinc/73/69/66/378736966.db2.gz MHVCMQHGDOYOKF-GFCCVEGCSA-N 0 0 296.436 2.744 10 70 CFIERN COC[C@@H](C)C(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000160141768 378752066 /nfs/dbraw/zinc/75/20/66/378752066.db2.gz DKYJLLNJFWAVDK-PBHICJAKSA-N 0 0 298.386 2.878 10 70 CFIERN CC(C)COc1ccc([C@@H](C)NC(=O)[C@H]2CCOC2)cc1 ZINC000159765501 378728537 /nfs/dbraw/zinc/72/85/37/378728537.db2.gz DCUCQLUYKKNGCH-HIFRSBDPSA-N 0 0 291.391 2.935 10 70 CFIERN CCc1nnc(CN[C@@H](C)c2cccc(Cl)c2)[nH]1 ZINC000160265156 378760464 /nfs/dbraw/zinc/76/04/64/378760464.db2.gz XSTOLCMXQBPXLB-VIFPVBQESA-N 0 0 264.760 2.871 10 70 CFIERN CCCc1nnc(N[C@@H]2CCO[C@H](C3CC3)C2)s1 ZINC000160420790 378769942 /nfs/dbraw/zinc/76/99/42/378769942.db2.gz GIXRWLNZXGGSND-MNOVXSKESA-N 0 0 267.398 2.860 10 70 CFIERN CN(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000160253598 378758829 /nfs/dbraw/zinc/75/88/29/378758829.db2.gz ICAIUMRGVWOGKR-LSDHHAIUSA-N 0 0 275.396 2.595 10 70 CFIERN CN(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000160253328 378759685 /nfs/dbraw/zinc/75/96/85/378759685.db2.gz ICAIUMRGVWOGKR-HUUCEWRRSA-N 0 0 275.396 2.595 10 70 CFIERN CN(CC[N@H+](C)[C@@H]1CCSC1)Cc1ccc(F)cc1 ZINC000161049299 378817767 /nfs/dbraw/zinc/81/77/67/378817767.db2.gz KLFAGJISGBNVCR-OAHLLOKOSA-N 0 0 282.428 2.695 10 70 CFIERN CC(C)[C@@H](O)CC(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000161114553 378822594 /nfs/dbraw/zinc/82/25/94/378822594.db2.gz REWYIKYEWDYJSV-AAEUAGOBSA-N 0 0 299.798 2.631 10 70 CFIERN Cc1noc([C@@H]2COCCN2CC2CCC(C)(C)CC2)n1 ZINC000161127353 378824780 /nfs/dbraw/zinc/82/47/80/378824780.db2.gz QOHZIFVAMBMXMH-AWEZNQCLSA-N 0 0 293.411 2.968 10 70 CFIERN CCC[C@@H](NC(=O)[C@H]1CC=CCC1)C(=O)OC(C)(C)C ZINC000161317648 378839444 /nfs/dbraw/zinc/83/94/44/378839444.db2.gz SGNBVTGZTRZFNF-QWHCGFSZSA-N 0 0 281.396 2.969 10 70 CFIERN Cc1noc([C@H]2COCCN2C[C@@H](C)c2ccccc2)n1 ZINC000161104311 394367135 /nfs/dbraw/zinc/36/71/35/394367135.db2.gz SUIUUEJSNVTSIA-IUODEOHRSA-N 0 0 287.363 2.555 10 70 CFIERN CN(C)c1nccc(N[C@@H]2CCCc3cc(N)ccc32)n1 ZINC000159484376 273825944 /nfs/dbraw/zinc/82/59/44/273825944.db2.gz NOVVAYXEPQNYBS-CQSZACIVSA-N 0 0 283.379 2.614 10 70 CFIERN Cc1cnc(N[C@H]2CCCc3cc(N)ccc32)nc1 ZINC000159497341 292937966 /nfs/dbraw/zinc/93/79/66/292937966.db2.gz QVTIURPCEGAZSK-AWEZNQCLSA-N 0 0 254.337 2.857 10 70 CFIERN CC(C)(C)[C@H](O)CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC000159607432 322325254 /nfs/dbraw/zinc/32/52/54/322325254.db2.gz DFYWEDQANRPYKE-DUTNFGBUSA-N 0 0 279.424 2.582 10 70 CFIERN C[C@@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2O)O1 ZINC000159669034 322326251 /nfs/dbraw/zinc/32/62/51/322326251.db2.gz CCXBPHOLZWZPNL-RDDDGLTNSA-N 0 0 289.253 2.917 10 70 CFIERN CCCC[C@@H](NC(=O)CCC)C(=O)OC(C)(C)C ZINC000161127193 322347767 /nfs/dbraw/zinc/34/77/67/322347767.db2.gz RBJXXQPWTHAYHR-LLVKDONJSA-N 0 0 257.374 2.803 10 70 CFIERN CCCOC(=O)[C@@H](C)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000159998338 520215929 /nfs/dbraw/zinc/21/59/29/520215929.db2.gz IDJOQDKFZJTWQK-OLZOCXBDSA-N 0 0 296.436 2.973 10 70 CFIERN CCCOC(=O)[C@H](C)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000159998470 520219725 /nfs/dbraw/zinc/21/97/25/520219725.db2.gz IDJOQDKFZJTWQK-STQMWFEESA-N 0 0 296.436 2.973 10 70 CFIERN CCCCc1nc(CN2CC[C@]3(O)CCCC[C@@H]3C2)no1 ZINC000161106303 521300509 /nfs/dbraw/zinc/30/05/09/521300509.db2.gz IHQFCIXEFFJJRQ-CZUORRHYSA-N 0 0 293.411 2.539 10 70 CFIERN CCc1nc2c(s1)[C@@H](N(C)C(=O)[C@@H](C)COC)CCC2 ZINC000161024435 522470578 /nfs/dbraw/zinc/47/05/78/522470578.db2.gz NBTQGRWGFIOIHS-JQWIXIFHSA-N 0 0 296.436 2.824 10 70 CFIERN C[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)ccc2O)O1 ZINC000159655939 524637857 /nfs/dbraw/zinc/63/78/57/524637857.db2.gz SAEKQGSRRNSJPT-RDDDGLTNSA-N 0 0 255.701 2.552 10 70 CFIERN Cc1ccc([C@H](C)NC(=O)[C@H]2CCC(=O)C[C@@H]2C)o1 ZINC000159414139 188424185 /nfs/dbraw/zinc/42/41/85/188424185.db2.gz JLXHUWLNPPADDI-GAFUQQFSSA-N 0 0 263.337 2.771 10 70 CFIERN Cc1ccc([C@@H](C)CNC(=O)C[C@@H](O)C(C)C)cc1 ZINC000160550955 188480353 /nfs/dbraw/zinc/48/03/53/188480353.db2.gz HQOUKESWMRYYMR-DZGCQCFKSA-N 0 0 263.381 2.622 10 70 CFIERN COC[C@@H](C)C(=O)N(C)c1ccc(OC)c(Cl)c1 ZINC000160300589 378761921 /nfs/dbraw/zinc/76/19/21/378761921.db2.gz LQBKQCCPFSPBPC-SECBINFHSA-N 0 0 271.744 2.594 10 70 CFIERN COc1c(CN(C)Cc2ccc(C)cc2)c(C)nn1C ZINC000160638084 378787565 /nfs/dbraw/zinc/78/75/65/378787565.db2.gz JBFSYKMDWJFBRU-UHFFFAOYSA-N 0 0 273.380 2.678 10 70 CFIERN Cn1c2ccccc2nc1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160689801 378790830 /nfs/dbraw/zinc/79/08/30/378790830.db2.gz WOKQWHAQYRMLLO-DYVFJYSZSA-N 0 0 285.391 2.705 10 70 CFIERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCCO1 ZINC000161245178 378832579 /nfs/dbraw/zinc/83/25/79/378832579.db2.gz GVLLTGLTHSUXTP-HBNTYKKESA-N 0 0 279.302 2.793 10 70 CFIERN CC[C@](C)(O)CN(C)Cc1nc(C(F)(F)F)cs1 ZINC000161358499 378840967 /nfs/dbraw/zinc/84/09/67/378840967.db2.gz OWSHCPKWGXQBMH-JTQLQIEISA-N 0 0 282.331 2.755 10 70 CFIERN CCC[C@@H](NC(=O)c1oc(C)nc1C)C(=O)OC(C)(C)C ZINC000161428504 378846602 /nfs/dbraw/zinc/84/66/02/378846602.db2.gz LKTKTYDWHJISJK-LLVKDONJSA-N 0 0 296.367 2.532 10 70 CFIERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCc3sccc32)O1 ZINC000159980287 322330775 /nfs/dbraw/zinc/33/07/75/322330775.db2.gz XVTBPRUNXDIERZ-JLLWLGSASA-N 0 0 265.378 2.809 10 70 CFIERN CN(C)c1nccc(N[C@H]2CCCc3cc(N)ccc32)n1 ZINC000159484512 276904553 /nfs/dbraw/zinc/90/45/53/276904553.db2.gz NOVVAYXEPQNYBS-AWEZNQCLSA-N 0 0 283.379 2.614 10 70 CFIERN Cc1ccccc1[C@@H](C)N[C@@H]1CCCn2ncnc21 ZINC000159774346 281356643 /nfs/dbraw/zinc/35/66/43/281356643.db2.gz HYTRYDZSVCMVQZ-TZMCWYRMSA-N 0 0 256.353 2.772 10 70 CFIERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC2(CO)CC2)cc1 ZINC000160300478 322336349 /nfs/dbraw/zinc/33/63/49/322336349.db2.gz CVLBVJMZTDTTAQ-LSDHHAIUSA-N 0 0 273.376 2.555 10 70 CFIERN CCC[C@@H](NC(=O)[C@H](C)C(C)C)C(=O)OC(C)(C)C ZINC000161431413 322351229 /nfs/dbraw/zinc/35/12/29/322351229.db2.gz LJVXIPHZRNVHKA-VXGBXAGGSA-N 0 0 271.401 2.905 10 70 CFIERN CC(C)CCn1ccc(NC(=O)N2CCS[C@@H](C)C2)n1 ZINC000159763496 519703374 /nfs/dbraw/zinc/70/33/74/519703374.db2.gz HGYWDXGGSXBVBO-LBPRGKRZSA-N 0 0 296.440 2.898 10 70 CFIERN CCC1CCC(NC(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC000159406355 519856150 /nfs/dbraw/zinc/85/61/50/519856150.db2.gz NJRDYAXZXGWGOL-MOKVOYLWSA-N 0 0 275.396 2.531 10 70 CFIERN CCC[C@H](NC(=O)C[C@H]1CCCCO1)C(=O)OC(C)(C)C ZINC000161469959 521128037 /nfs/dbraw/zinc/12/80/37/521128037.db2.gz SYODWVIBPJRCKU-OLZOCXBDSA-N 0 0 299.411 2.572 10 70 CFIERN CCC(CC)CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000160583603 521528217 /nfs/dbraw/zinc/52/82/17/521528217.db2.gz HSQYZUDKPPKGME-UHFFFAOYSA-N 0 0 278.400 2.735 10 70 CFIERN CCc1nc(CN2CCO[C@@H](c3nccs3)C2)cs1 ZINC000161442758 522318904 /nfs/dbraw/zinc/31/89/04/522318904.db2.gz WPAXQIMUSLZZIV-LLVKDONJSA-N 0 0 295.433 2.736 10 70 CFIERN CN(CC1CC(O)C1)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000160990842 522612732 /nfs/dbraw/zinc/61/27/32/522612732.db2.gz WQKYXQQMWMYJSQ-YECOWLKZSA-N 0 0 293.329 2.584 10 70 CFIERN Fc1ccc(CN2CCO[C@@H](c3nccs3)C2)cc1 ZINC000161433969 526334810 /nfs/dbraw/zinc/33/48/10/526334810.db2.gz TYLITGMSVILYAF-CYBMUJFWSA-N 0 0 278.352 2.856 10 70 CFIERN Cc1noc([C@H]2COCCN2Cc2cccc(C)c2C)n1 ZINC000161059510 526672926 /nfs/dbraw/zinc/67/29/26/526672926.db2.gz LVIDYWBJSJLREB-OAHLLOKOSA-N 0 0 287.363 2.568 10 70 CFIERN C[C@@H](COc1ccc(O)cc1)NC(=O)OC(C)(C)C ZINC000218469888 348166564 /nfs/dbraw/zinc/16/65/64/348166564.db2.gz AMEKNAAOOSRMAQ-JTQLQIEISA-N 0 0 267.325 2.684 10 70 CFIERN O=S(=O)(Cl)c1cc2ccccc2nc1Cl ZINC000238566627 348247146 /nfs/dbraw/zinc/24/71/46/348247146.db2.gz HJCMFJJBSFJSFI-UHFFFAOYSA-N 0 0 262.117 2.816 10 70 CFIERN O=S(=O)(F)CCCCOc1ccccc1Cl ZINC000140087408 539681218 /nfs/dbraw/zinc/68/12/18/539681218.db2.gz QVTVLWGNTYVMGC-UHFFFAOYSA-N 0 0 266.721 2.798 10 70 CFIERN CC(C)CCN(C(=O)c1cnc2c(c1)ncn2C)C1CC1 ZINC000160073328 188454390 /nfs/dbraw/zinc/45/43/90/188454390.db2.gz FRDNBMPWMFUUMX-UHFFFAOYSA-N 0 0 286.379 2.619 10 70 CFIERN CCCc1nnc(N[C@H]2CCO[C@@H](C3CC3)C2)s1 ZINC000160421177 378769957 /nfs/dbraw/zinc/76/99/57/378769957.db2.gz GIXRWLNZXGGSND-WDEREUQCSA-N 0 0 267.398 2.860 10 70 CFIERN CSCC[C@H](CO)Nc1cc(Cl)nc(C2CC2)n1 ZINC000160663759 378789216 /nfs/dbraw/zinc/78/92/16/378789216.db2.gz DJZPYKQICOOSHL-SECBINFHSA-N 0 0 287.816 2.533 10 70 CFIERN CC(C)c1cccc(NC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000161283626 378835972 /nfs/dbraw/zinc/83/59/72/378835972.db2.gz GKHCQVROBFCAIO-CQSZACIVSA-N 0 0 299.378 2.538 10 70 CFIERN CCC[C@H](NC(=O)c1cccnc1C)C(=O)OC(C)(C)C ZINC000161303434 378838051 /nfs/dbraw/zinc/83/80/51/378838051.db2.gz PRHXUVHLJHTBLX-ZDUSSCGKSA-N 0 0 292.379 2.630 10 70 CFIERN Cn1cc([C@H]2CCCN2Cc2ccnc(Cl)c2)cn1 ZINC000216814391 382784833 /nfs/dbraw/zinc/78/48/33/382784833.db2.gz JUKMXZIEZBPJKW-CYBMUJFWSA-N 0 0 276.771 2.806 10 70 CFIERN COc1cc(OC)nc(N[C@H]2CCCc3ccccc32)n1 ZINC000159784451 286244294 /nfs/dbraw/zinc/24/42/94/286244294.db2.gz TVMMIRFNKGEDSL-ZDUSSCGKSA-N 0 0 285.347 2.983 10 70 CFIERN C[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2O)O1 ZINC000159656324 322326391 /nfs/dbraw/zinc/32/63/91/322326391.db2.gz SAEKQGSRRNSJPT-CPCISQLKSA-N 0 0 255.701 2.552 10 70 CFIERN CC(C)(C)c1nsc(N[C@H]2CC[C@H](CO)CC2)n1 ZINC000159959954 519143984 /nfs/dbraw/zinc/14/39/84/519143984.db2.gz KMEFTKLKYRKJMK-AOOOYVTPSA-N 0 0 269.414 2.799 10 70 CFIERN CCC1CCC(NC(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000159406222 519856072 /nfs/dbraw/zinc/85/60/72/519856072.db2.gz NJRDYAXZXGWGOL-ROKHWSDSSA-N 0 0 275.396 2.531 10 70 CFIERN CCOC(=O)CCCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000159830431 520655494 /nfs/dbraw/zinc/65/54/94/520655494.db2.gz QDLRKXZTJQJHTI-ZIAGYGMSSA-N 0 0 281.396 2.662 10 70 CFIERN CCc1nc(CN2CCO[C@H](c3nccs3)C2)cs1 ZINC000161442632 522317045 /nfs/dbraw/zinc/31/70/45/522317045.db2.gz WPAXQIMUSLZZIV-NSHDSACASA-N 0 0 295.433 2.736 10 70 CFIERN Cc1ccc([C@H](C)NC(=O)c2cccc(-c3nc[nH]n3)c2)o1 ZINC000160393122 525911665 /nfs/dbraw/zinc/91/16/65/525911665.db2.gz FUZQYCVZURFXHI-NSHDSACASA-N 0 0 296.330 2.864 10 70 CFIERN Cc1nc(CNc2ccc(C(F)(F)F)nn2)oc1C ZINC000217986376 526897429 /nfs/dbraw/zinc/89/74/29/526897429.db2.gz YLZFRZJRDJRCKZ-UHFFFAOYSA-N 0 0 272.230 2.712 10 70 CFIERN O=C(Cl)c1cc(S(=O)(=O)Cl)cc(Cl)c1F ZINC000159132590 348010293 /nfs/dbraw/zinc/01/02/93/348010293.db2.gz AKFITVYIQWAJBT-UHFFFAOYSA-N 0 0 291.514 2.786 10 70 CFIERN COC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)CCC(C)(C)C)C1 ZINC000160412877 348018098 /nfs/dbraw/zinc/01/80/98/348018098.db2.gz YIXBWXQJYQFIBR-QWHCGFSZSA-N 0 0 298.427 2.796 10 70 CFIERN O=C(NCCc1cccnc1)[C@H]1C[C@H]1C1CCCCC1 ZINC000159812613 188442622 /nfs/dbraw/zinc/44/26/22/188442622.db2.gz BTJZVRDUTHEESQ-HOTGVXAUSA-N 0 0 272.392 2.957 10 70 CFIERN Cc1ccc([C@H](C)CNC(=O)C[C@@H](O)C(C)C)cc1 ZINC000160551069 188479923 /nfs/dbraw/zinc/47/99/23/188479923.db2.gz HQOUKESWMRYYMR-UKRRQHHQSA-N 0 0 263.381 2.622 10 70 CFIERN CC(C)[C@@H](O)CC(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000161114372 188508391 /nfs/dbraw/zinc/50/83/91/188508391.db2.gz REWYIKYEWDYJSV-YPMHNXCESA-N 0 0 299.798 2.631 10 70 CFIERN CCC[C@@H](NC(=O)c1cccnc1C)C(=O)OC(C)(C)C ZINC000161303535 188520752 /nfs/dbraw/zinc/52/07/52/188520752.db2.gz PRHXUVHLJHTBLX-CYBMUJFWSA-N 0 0 292.379 2.630 10 70 CFIERN CCC[C@H](NC(=O)c1ccco1)C(=O)OC(C)(C)C ZINC000161404299 188525640 /nfs/dbraw/zinc/52/56/40/188525640.db2.gz OGVDSIBAYGAGFD-JTQLQIEISA-N 0 0 267.325 2.520 10 70 CFIERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(C)(CC)CC ZINC000159450757 540993368 /nfs/dbraw/zinc/99/33/68/540993368.db2.gz JCEVZGGXVZXYOX-NSHDSACASA-N 0 0 278.400 2.618 10 70 CFIERN C[C@@H]1CC[C@H](NC(=O)Cc2cc[nH]n2)c2ccccc21 ZINC000159597830 541001178 /nfs/dbraw/zinc/00/11/78/541001178.db2.gz ULVZJBOTRXKQQQ-ABAIWWIYSA-N 0 0 269.348 2.707 10 70 CFIERN COC[C@H](C)C(=O)N[C@@H]1CCCc2sccc21 ZINC000159972535 378740966 /nfs/dbraw/zinc/74/09/66/378740966.db2.gz UMBRWHKCLLHFEG-GXSJLCMTSA-N 0 0 253.367 2.524 10 70 CFIERN Clc1ccc(C2=NO[C@@H](CN3CCSCC3)C2)cc1 ZINC000159751189 378728950 /nfs/dbraw/zinc/72/89/50/378728950.db2.gz GZGQPMMSWFLUOB-CYBMUJFWSA-N 0 0 296.823 2.882 10 70 CFIERN Clc1ccc(C2=NO[C@H](CN3CCSCC3)C2)cc1 ZINC000159751087 378729038 /nfs/dbraw/zinc/72/90/38/378729038.db2.gz GZGQPMMSWFLUOB-ZDUSSCGKSA-N 0 0 296.823 2.882 10 70 CFIERN COc1c(CN(C)Cc2cccc(F)c2)c(C)nn1C ZINC000160465344 378774739 /nfs/dbraw/zinc/77/47/39/378774739.db2.gz QSNCSBDJEHPSDP-UHFFFAOYSA-N 0 0 277.343 2.508 10 70 CFIERN CCC(CC)CNC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000160563307 378782901 /nfs/dbraw/zinc/78/29/01/378782901.db2.gz REKSTZZHHAKWDE-OAHLLOKOSA-N 0 0 292.427 2.974 10 70 CFIERN CCC[C@@H](NC(=O)C[C@@H]1C=CCC1)C(=O)OC(C)(C)C ZINC000161420157 378846237 /nfs/dbraw/zinc/84/62/37/378846237.db2.gz JFCGAAGTGDUUFG-CHWSQXEVSA-N 0 0 281.396 2.969 10 70 CFIERN CC(C)=Cc1nc(N2CCCC2)nn1CC(F)(F)F ZINC000217354275 382785780 /nfs/dbraw/zinc/78/57/80/382785780.db2.gz ZEQIBGXOJFGAHH-UHFFFAOYSA-N 0 0 274.290 2.864 10 70 CFIERN Cc1noc([C@H]2COCCN2Cc2ccc(C)cc2C)n1 ZINC000161058368 394366806 /nfs/dbraw/zinc/36/68/06/394366806.db2.gz NAVUMZFJGCCLCK-OAHLLOKOSA-N 0 0 287.363 2.568 10 70 CFIERN Nc1ccc2c(c1)CCC[C@H]2Nc1ncc(F)cn1 ZINC000159513262 295360007 /nfs/dbraw/zinc/36/00/07/295360007.db2.gz FHQDLFUKOAUBMG-CYBMUJFWSA-N 0 0 258.300 2.687 10 70 CFIERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCc3sccc32)O1 ZINC000159979995 322331142 /nfs/dbraw/zinc/33/11/42/322331142.db2.gz XVTBPRUNXDIERZ-YUSALJHKSA-N 0 0 265.378 2.809 10 70 CFIERN CCn1ccnc1C[S@@](=O)c1ncc(C(C)(C)C)s1 ZINC000160548019 322339602 /nfs/dbraw/zinc/33/96/02/322339602.db2.gz LECUKYOARHNRRS-IBGZPJMESA-N 0 0 297.449 2.965 10 70 CFIERN CCC[C@H](NC(=O)C(C)(C)C)C(=O)OC(C)(C)C ZINC000161318251 322350512 /nfs/dbraw/zinc/35/05/12/322350512.db2.gz ULCXCJCTLQTWIQ-JTQLQIEISA-N 0 0 257.374 2.659 10 70 CFIERN CC(C)(C)c1nsc(NC[C@@](C)(O)c2ccco2)n1 ZINC000159650386 519142261 /nfs/dbraw/zinc/14/22/61/519142261.db2.gz QUHQYRNXSDZFGB-CYBMUJFWSA-N 0 0 281.381 2.748 10 70 CFIERN CCOC(=O)CCCNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000159830708 520655517 /nfs/dbraw/zinc/65/55/17/520655517.db2.gz QDLRKXZTJQJHTI-UONOGXRCSA-N 0 0 281.396 2.662 10 70 CFIERN CCOC(=O)[C@H]1CC[C@@H](Nc2nc(C(C)(C)C)ns2)C1 ZINC000159994389 521314119 /nfs/dbraw/zinc/31/41/19/521314119.db2.gz XEVAQQXMASGDFU-VHSXEESVSA-N 0 0 297.424 2.979 10 70 CFIERN C[C@H](CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1)Cn1cccn1 ZINC000160722397 524444313 /nfs/dbraw/zinc/44/43/13/524444313.db2.gz DOMOQAALJBNEMG-FVQBIDKESA-N 0 0 289.423 2.852 10 70 CFIERN 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CC(C)(C)c1nsc(N2CC[C@@H]3OCCC[C@@H]3C2)n1 ZINC000160020952 378743609 /nfs/dbraw/zinc/74/36/09/378743609.db2.gz QTCTUBTZKCSSGI-MNOVXSKESA-N 0 0 281.425 2.841 10 70 CFIERN CCC[C@@H](NC(=O)C[C@H]1C=CCC1)C(=O)OC(C)(C)C ZINC000161419905 378845976 /nfs/dbraw/zinc/84/59/76/378845976.db2.gz JFCGAAGTGDUUFG-QWHCGFSZSA-N 0 0 281.396 2.969 10 70 CFIERN CCC[C@H](NC(=O)Cc1ccsc1)C(=O)OC(C)(C)C ZINC000161447166 378847776 /nfs/dbraw/zinc/84/77/76/378847776.db2.gz RMCBHNPLNLHDMJ-LBPRGKRZSA-N 0 0 297.420 2.917 10 70 CFIERN O=C(NCCc1ccccc1)Nc1ccc(O)cc1 ZINC000217304756 382785783 /nfs/dbraw/zinc/78/57/83/382785783.db2.gz UZJPAHJWEISDMZ-UHFFFAOYSA-N 0 0 256.305 2.756 10 70 CFIERN Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@H]1C[C@@H]1C ZINC000161280732 278999562 /nfs/dbraw/zinc/99/95/62/278999562.db2.gz GPPKPWMZQCONPB-CABZTGNLSA-N 0 0 289.766 2.972 10 70 CFIERN Nc1ccc2c(c1)CCC[C@@H]2Nc1ncc(F)cn1 ZINC000159513118 295358974 /nfs/dbraw/zinc/35/89/74/295358974.db2.gz FHQDLFUKOAUBMG-ZDUSSCGKSA-N 0 0 258.300 2.687 10 70 CFIERN C[C@H]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2O)O1 ZINC000159669436 322326085 /nfs/dbraw/zinc/32/60/85/322326085.db2.gz CCXBPHOLZWZPNL-CPCISQLKSA-N 0 0 289.253 2.917 10 70 CFIERN CCOC(=O)C[C@H](C)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000160853418 520876418 /nfs/dbraw/zinc/87/64/18/520876418.db2.gz HORZGJHZXACKPX-YUTCNCBUSA-N 0 0 281.396 2.661 10 70 CFIERN CCOC(=O)[C@@H]1CC[C@@H](Nc2nc(C(C)(C)C)ns2)C1 ZINC000159994285 521134512 /nfs/dbraw/zinc/13/45/12/521134512.db2.gz XEVAQQXMASGDFU-NXEZZACHSA-N 0 0 297.424 2.979 10 70 CFIERN Cc1cccc(CS(=O)(=O)Cc2nccn2C(C)C)c1 ZINC000161211971 524450371 /nfs/dbraw/zinc/45/03/71/524450371.db2.gz HIHZMPWIPSBRHZ-UHFFFAOYSA-N 0 0 292.404 2.887 10 70 CFIERN O=C(C1CCC(F)(F)CC1)N1CCC[C@H]1CCCO ZINC000160987629 526291538 /nfs/dbraw/zinc/29/15/38/526291538.db2.gz ZKVSFRGMBKIAEU-LBPRGKRZSA-N 0 0 275.339 2.575 10 70 CFIERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCSCC1 ZINC000160819740 526500074 /nfs/dbraw/zinc/50/00/74/526500074.db2.gz CMEPVIMAIRMJRH-CHWSQXEVSA-N 0 0 253.411 2.778 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2.741 10 70 CFIERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC2(CO)CC2)cc1 ZINC000160300218 322336383 /nfs/dbraw/zinc/33/63/83/322336383.db2.gz CVLBVJMZTDTTAQ-GJZGRUSLSA-N 0 0 273.376 2.555 10 70 CFIERN CCCCC(=O)N[C@@H](CCC)C(=O)OC(C)(C)C ZINC000161318783 322350477 /nfs/dbraw/zinc/35/04/77/322350477.db2.gz SCMVJCVOYLZQIH-NSHDSACASA-N 0 0 257.374 2.803 10 70 CFIERN CC(C)(C)c1nsc(N[C@H](CO)c2ccco2)n1 ZINC000159763671 519143912 /nfs/dbraw/zinc/14/39/12/519143912.db2.gz HRXVAUXJUKEOMJ-MRVPVSSYSA-N 0 0 267.354 2.574 10 70 CFIERN CC(C)n1ccnc1CS(=O)(=O)Cc1cccc(F)c1 ZINC000161211311 520035486 /nfs/dbraw/zinc/03/54/86/520035486.db2.gz AVSPARAAVSCQMX-UHFFFAOYSA-N 0 0 296.367 2.718 10 70 CFIERN CCC[C@H](NC(=O)C[C@H](C)SC)C(=O)OC(C)(C)C ZINC000161298570 521127535 /nfs/dbraw/zinc/12/75/35/521127535.db2.gz HHKWOWNCSWNGEZ-QWRGUYRKSA-N 0 0 289.441 2.755 10 70 CFIERN CCC[C@H](NC(=O)[C@@H](CC)SC)C(=O)OC(C)(C)C ZINC000161442109 521135240 /nfs/dbraw/zinc/13/52/40/521135240.db2.gz UBUSOMJZYLICPI-WDEREUQCSA-N 0 0 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DRBYMQPJDAUELS-IUCAKERBSA-N 0 0 271.719 2.729 10 70 CFIERN CC(C)[C@H](O)CC(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000161114471 188508844 /nfs/dbraw/zinc/50/88/44/188508844.db2.gz REWYIKYEWDYJSV-WCQYABFASA-N 0 0 299.798 2.631 10 70 CFIERN CC(C)COc1ccc([C@H](C)NC(=O)[C@H]2CCOC2)cc1 ZINC000159765604 378728932 /nfs/dbraw/zinc/72/89/32/378728932.db2.gz DCUCQLUYKKNGCH-ZFWWWQNUSA-N 0 0 291.391 2.935 10 70 CFIERN CC(C)[C@H](O)CC(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000160721781 378793922 /nfs/dbraw/zinc/79/39/22/378793922.db2.gz BYUYBFSSLMNNQL-CQSZACIVSA-N 0 0 295.354 2.960 10 70 CFIERN COc1ccc([C@@H](C)CCNC(=O)C[C@H](O)C(C)C)cc1 ZINC000160862469 378804163 /nfs/dbraw/zinc/80/41/63/378804163.db2.gz QZXPLSBJXGBXND-BBRMVZONSA-N 0 0 293.407 2.712 10 70 CFIERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000161443503 378848443 /nfs/dbraw/zinc/84/84/43/378848443.db2.gz NSBKHCBNEPEYBH-RNJOBUHISA-N 0 0 279.405 2.844 10 70 CFIERN CC(C)Cc1ccc([C@@H](C)C(=O)NC2(CO)CC2)cc1 ZINC000160474320 322338628 /nfs/dbraw/zinc/33/86/28/322338628.db2.gz ZWSDVEAOHPQLTI-CYBMUJFWSA-N 0 0 275.392 2.630 10 70 CFIERN CCCOC(=O)[C@@H](C)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000160013104 520216105 /nfs/dbraw/zinc/21/61/05/520216105.db2.gz FTHMUNQREKOMTP-VXGBXAGGSA-N 0 0 295.383 2.672 10 70 CFIERN CCC[C@@H](NC(=O)CC(F)(F)F)C(=O)OC(C)(C)C ZINC000161495954 520729545 /nfs/dbraw/zinc/72/95/45/520729545.db2.gz PPUSUIPOPNTNPC-MRVPVSSYSA-N 0 0 283.290 2.565 10 70 CFIERN CCOC(=O)C[C@H](C)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000160853149 520877360 /nfs/dbraw/zinc/87/73/60/520877360.db2.gz HORZGJHZXACKPX-IACUBPJLSA-N 0 0 281.396 2.661 10 70 CFIERN CN(C[C@H]1CCOC1)c1ccnc2c(F)cc(F)cc12 ZINC000159840410 523143400 /nfs/dbraw/zinc/14/34/00/523143400.db2.gz BGEYFMBIDCMTMU-SNVBAGLBSA-N 0 0 278.302 2.986 10 70 CFIERN COC[C@H](C)C(=O)N[C@H]1CCCc2sccc21 ZINC000159972786 188449675 /nfs/dbraw/zinc/44/96/75/188449675.db2.gz UMBRWHKCLLHFEG-ONGXEEELSA-N 0 0 253.367 2.524 10 70 CFIERN CCC[C@H](NC(=O)c1ccccc1)C(=O)OC(C)(C)C ZINC000161500810 188532073 /nfs/dbraw/zinc/53/20/73/188532073.db2.gz BEACKJYGRBXJIB-ZDUSSCGKSA-N 0 0 277.364 2.927 10 70 CFIERN C[C@H]1CC[C@H](NC(=O)Cc2cc[nH]n2)c2ccccc21 ZINC000159597970 541001163 /nfs/dbraw/zinc/00/11/63/541001163.db2.gz ULVZJBOTRXKQQQ-NHYWBVRUSA-N 0 0 269.348 2.707 10 70 CFIERN CC(C)COc1ccc([C@@H](C)NC(=O)c2ccn[nH]2)cc1 ZINC000159751745 378729252 /nfs/dbraw/zinc/72/92/52/378729252.db2.gz LSORSBHJTZHZNL-GFCCVEGCSA-N 0 0 287.363 2.936 10 70 CFIERN C[C@@H]1CN(C(=O)c2cc(F)c(Cl)cc2F)C[C@@H](C)O1 ZINC000160490273 378776594 /nfs/dbraw/zinc/77/65/94/378776594.db2.gz AECOUWCIGGQGBG-HTQZYQBOSA-N 0 0 289.709 2.868 10 70 CFIERN O=C(NCc1nccs1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000160743985 378794568 /nfs/dbraw/zinc/79/45/68/378794568.db2.gz KPTOZFWBEJIYBC-NEPJUHHUSA-N 0 0 264.394 2.976 10 70 CFIERN CCC(CC)c1cc(CNC(=O)C[C@@H](O)C(C)C)on1 ZINC000160940600 378811777 /nfs/dbraw/zinc/81/17/77/378811777.db2.gz JNNGUXFTHFTFTD-CQSZACIVSA-N 0 0 282.384 2.601 10 70 CFIERN CCC[C@H](NC(=O)c1cccs1)C(=O)OC(C)(C)C ZINC000161297137 378838000 /nfs/dbraw/zinc/83/80/00/378838000.db2.gz OGZYIJVZUOYMMJ-JTQLQIEISA-N 0 0 283.393 2.988 10 70 CFIERN CCC[C@H](NC(=O)[C@@H](C)C(C)C)C(=O)OC(C)(C)C ZINC000161431004 322351565 /nfs/dbraw/zinc/35/15/65/322351565.db2.gz LJVXIPHZRNVHKA-RYUDHWBXSA-N 0 0 271.401 2.905 10 70 CFIERN Nc1nc(C(F)F)c(C(=O)c2ccccc2)s1 ZINC000217010865 382785533 /nfs/dbraw/zinc/78/55/33/382785533.db2.gz MMQOFSLVVSIAAR-UHFFFAOYSA-N 0 0 254.261 2.894 10 70 CFIERN CC[C@@H](NC(=O)c1ccc(OC)cc1F)C(C)C ZINC000218762047 382790525 /nfs/dbraw/zinc/79/05/25/382790525.db2.gz GHOPIRHSWHDBBV-CYBMUJFWSA-N 0 0 253.317 2.999 10 70 CFIERN Cc1cnc(N[C@@H]2CCCc3cc(N)ccc32)nc1 ZINC000159497208 394365661 /nfs/dbraw/zinc/36/56/61/394365661.db2.gz QVTIURPCEGAZSK-CQSZACIVSA-N 0 0 254.337 2.857 10 70 CFIERN CC(C)C[C@@H](CO)NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160188978 394366052 /nfs/dbraw/zinc/36/60/52/394366052.db2.gz UABXOGICWDOVOL-CGAUPDFVSA-N 0 0 279.424 2.582 10 70 CFIERN CC(C)n1ccnc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000160849381 394366887 /nfs/dbraw/zinc/36/68/87/394366887.db2.gz QUZDRHCOZPRUBA-UONOGXRCSA-N 0 0 263.385 2.607 10 70 CFIERN CC(C)C[C@H](CO)NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160189122 279168956 /nfs/dbraw/zinc/16/89/56/279168956.db2.gz UABXOGICWDOVOL-BAPHQMLMSA-N 0 0 279.424 2.582 10 70 CFIERN CC(C)(C)[C@@H](O)CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC000159607577 322324992 /nfs/dbraw/zinc/32/49/92/322324992.db2.gz DFYWEDQANRPYKE-BPHCLYMKSA-N 0 0 279.424 2.582 10 70 CFIERN C[C@@H]1COC[C@@H](C)N1C(=O)C1CCC(C)(C)CC1 ZINC000160639610 322340710 /nfs/dbraw/zinc/34/07/10/322340710.db2.gz QQCLMKZMWKFZAB-VXGBXAGGSA-N 0 0 253.386 2.839 10 70 CFIERN COc1c(CN(C)Cc2ccc(F)cc2)c(C)nn1C ZINC000161147540 322348167 /nfs/dbraw/zinc/34/81/67/322348167.db2.gz QMIYZWACUIKSLK-UHFFFAOYSA-N 0 0 277.343 2.508 10 70 CFIERN CCC[C@@H](NC(=O)CC(C)C)C(=O)OC(C)(C)C ZINC000161341442 322350448 /nfs/dbraw/zinc/35/04/48/322350448.db2.gz UOFPEQYFINZFHG-LLVKDONJSA-N 0 0 257.374 2.659 10 70 CFIERN CC(C)[C@@H](CO)Nc1ccnc2c(F)cc(F)cc12 ZINC000159866221 519795924 /nfs/dbraw/zinc/79/59/24/519795924.db2.gz PBFBWLJLYIECNS-CYBMUJFWSA-N 0 0 266.291 2.942 10 70 CFIERN CCSCCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160078148 521706669 /nfs/dbraw/zinc/70/66/69/521706669.db2.gz QITGDABNQBAZKL-CYBMUJFWSA-N 0 0 294.468 2.895 10 70 CFIERN CN(CC1CC(O)C1)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000160990966 522611613 /nfs/dbraw/zinc/61/16/13/522611613.db2.gz WQKYXQQMWMYJSQ-BFUDSRACSA-N 0 0 293.329 2.584 10 70 CFIERN CCn1c(C)nnc1CN1CCC[C@@H]1c1cccc(C)n1 ZINC000159933424 523150241 /nfs/dbraw/zinc/15/02/41/523150241.db2.gz IQMXUSJVSQBZSP-OAHLLOKOSA-N 0 0 285.395 2.647 10 70 CFIERN C[C@@H]1CC[C@@H](C(=O)N(Cc2cccc(O)c2)CC2CC2)O1 ZINC000159759836 524552284 /nfs/dbraw/zinc/55/22/84/524552284.db2.gz GZBNWNVAASRHHI-WBMJQRKESA-N 0 0 289.375 2.698 10 70 CFIERN C[C@H](CO)[C@H](C)Nc1ccnc2c(F)cc(F)cc12 ZINC000159596055 524572798 /nfs/dbraw/zinc/57/27/98/524572798.db2.gz JEUWHTURUYIVLJ-BDAKNGLRSA-N 0 0 266.291 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/nfs/dbraw/zinc/82/46/25/378824625.db2.gz QOHZIFVAMBMXMH-CQSZACIVSA-N 0 0 293.411 2.968 10 70 CFIERN CCC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)N(C)C ZINC000161172068 378828157 /nfs/dbraw/zinc/82/81/57/378828157.db2.gz LIRBXXZJXRMGRB-AWEZNQCLSA-N 0 0 262.353 2.558 10 70 CFIERN CCC[C@H](C(=O)NCc1ccc(COCC)cc1)[NH+](C)C ZINC000161495768 378851588 /nfs/dbraw/zinc/85/15/88/378851588.db2.gz NCAKSYWRPRPHOR-MRXNPFEDSA-N 0 0 292.423 2.570 10 70 CFIERN COC[C@H](C)C(=O)O[C@@H](c1ccccn1)C(F)(F)F ZINC000160514077 394366348 /nfs/dbraw/zinc/36/63/48/394366348.db2.gz OVOWBVMSTHPZND-WPRPVWTQSA-N 0 0 277.242 2.511 10 70 CFIERN Cc1ccccc1[C@H](C)N[C@H]1CCCn2ncnc21 ZINC000159774693 281383279 /nfs/dbraw/zinc/38/32/79/281383279.db2.gz HYTRYDZSVCMVQZ-JSGCOSHPSA-N 0 0 256.353 2.772 10 70 CFIERN Cc1ccnc(N[C@H]2CCCc3cc(N)ccc32)n1 ZINC000159486774 292790734 /nfs/dbraw/zinc/79/07/34/292790734.db2.gz XGJAJVPMRAORNP-AWEZNQCLSA-N 0 0 254.337 2.857 10 70 CFIERN O=S(=O)(c1ccc(O)cc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000218041432 304775303 /nfs/dbraw/zinc/77/53/03/304775303.db2.gz IGNIJULBLPBCRT-SWLSCSKDSA-N 0 0 295.404 2.736 10 70 CFIERN C[C@@H]1CC[C@@H](C(=O)Nc2cc(-c3ccccc3)on2)O1 ZINC000159815243 322328895 /nfs/dbraw/zinc/32/88/95/322328895.db2.gz TUKHFBOXWRPWAA-PWSUYJOCSA-N 0 0 272.304 2.848 10 70 CFIERN CC(C)n1nnnc1COc1ccc(Cl)c(F)c1 ZINC000161113580 322347696 /nfs/dbraw/zinc/34/76/96/322347696.db2.gz KWZYARBEVNUBCH-UHFFFAOYSA-N 0 0 270.695 2.626 10 70 CFIERN CCOC(=O)CCCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000159830588 520654901 /nfs/dbraw/zinc/65/49/01/520654901.db2.gz QDLRKXZTJQJHTI-KGLIPLIRSA-N 0 0 281.396 2.662 10 70 CFIERN CCC[C@H](NC(=O)CC1CCC1)C(=O)OC(C)(C)C ZINC000161484772 521123319 /nfs/dbraw/zinc/12/33/19/521123319.db2.gz ADLVXZCUSHAEQQ-LBPRGKRZSA-N 0 0 269.385 2.803 10 70 CFIERN COC(=O)c1ccc(NCC2(C3CC3)CC2)nc1C ZINC000218077743 522128229 /nfs/dbraw/zinc/12/82/29/522128229.db2.gz AYFZGGGCTUSSAH-UHFFFAOYSA-N 0 0 260.337 2.779 10 70 CFIERN CCc1nc2c(s1)[C@@H](N(C)C(=O)[C@H](C)COC)CCC2 ZINC000161024702 522472296 /nfs/dbraw/zinc/47/22/96/522472296.db2.gz NBTQGRWGFIOIHS-PWSUYJOCSA-N 0 0 296.436 2.824 10 70 CFIERN CCc1ccc(CN2CCOC[C@@H]2c2nc(C)no2)cc1 ZINC000161057792 523927690 /nfs/dbraw/zinc/92/76/90/523927690.db2.gz GBEMCPDNINVFSY-OAHLLOKOSA-N 0 0 287.363 2.514 10 70 CFIERN Cc1ccc(CS(=O)(=O)Cc2nccn2C(C)C)cc1 ZINC000161214874 524632991 /nfs/dbraw/zinc/63/29/91/524632991.db2.gz ACBPOHLXGOEPPX-UHFFFAOYSA-N 0 0 292.404 2.887 10 70 CFIERN COC[C@@H](C)C(=O)O[C@@H](c1ccccn1)C(F)(F)F ZINC000160514200 188477133 /nfs/dbraw/zinc/47/71/33/188477133.db2.gz OVOWBVMSTHPZND-SCZZXKLOSA-N 0 0 277.242 2.511 10 70 CFIERN COC[C@H](C)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000160141624 378749988 /nfs/dbraw/zinc/74/99/88/378749988.db2.gz DKYJLLNJFWAVDK-WMLDXEAASA-N 0 0 298.386 2.878 10 70 CFIERN COC(=O)CCC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000159629141 378721137 /nfs/dbraw/zinc/72/11/37/378721137.db2.gz JHGHQKOQFVRMNU-BXUZGUMPSA-N 0 0 275.348 2.694 10 70 CFIERN CC(C)[C@H](O)CC(=O)NC(C)(C)c1cccc(F)c1 ZINC000160491572 378776521 /nfs/dbraw/zinc/77/65/21/378776521.db2.gz FVRBMSOGEWOAFD-CYBMUJFWSA-N 0 0 267.344 2.584 10 70 CFIERN C/C=C/C=C/C(=O)N[C@@H](CCC)C(=O)OC(C)(C)C ZINC000161290306 378835886 /nfs/dbraw/zinc/83/58/86/378835886.db2.gz LIHGPPJASFEBPY-CKERLQFQSA-N 0 0 267.369 2.745 10 70 CFIERN Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@H]1C[C@H]1C ZINC000161280977 378835952 /nfs/dbraw/zinc/83/59/52/378835952.db2.gz GPPKPWMZQCONPB-SKDRFNHKSA-N 0 0 289.766 2.972 10 70 CFIERN CCC[C@@H](NC(=O)C(C)(C)C)C(=O)OC(C)(C)C ZINC000161318373 322350415 /nfs/dbraw/zinc/35/04/15/322350415.db2.gz ULCXCJCTLQTWIQ-SNVBAGLBSA-N 0 0 257.374 2.659 10 70 CFIERN CCCCC(=O)N[C@H](CCC)C(=O)OC(C)(C)C ZINC000161318919 322350458 /nfs/dbraw/zinc/35/04/58/322350458.db2.gz SCMVJCVOYLZQIH-LLVKDONJSA-N 0 0 257.374 2.803 10 70 CFIERN CC(C)CCn1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)n1 ZINC000159910386 519703473 /nfs/dbraw/zinc/70/34/73/519703473.db2.gz GJUDPJXTINURSW-CHWSQXEVSA-N 0 0 294.399 2.570 10 70 CFIERN CCC[C@@H](NC(=O)CC1CCC1)C(=O)OC(C)(C)C ZINC000161484896 520729195 /nfs/dbraw/zinc/72/91/95/520729195.db2.gz ADLVXZCUSHAEQQ-GFCCVEGCSA-N 0 0 269.385 2.803 10 70 CFIERN CCC[C@@H](NC(=O)[C@@H](C)CSC)C(=O)OC(C)(C)C ZINC000161390285 520743194 /nfs/dbraw/zinc/74/31/94/520743194.db2.gz QHMGKEDSLWIQCL-WDEREUQCSA-N 0 0 289.441 2.612 10 70 CFIERN CCC[C@H](NC(=O)[C@H]1CC1(C)C)C(=O)OC(C)(C)C ZINC000161383438 521140804 /nfs/dbraw/zinc/14/08/04/521140804.db2.gz QZEWWZQMQBRDSO-MNOVXSKESA-N 0 0 269.385 2.659 10 70 CFIERN CCCC[C@H](CC)CN1CCOC[C@@H]1c1nc(C)no1 ZINC000161024609 521169719 /nfs/dbraw/zinc/16/97/19/521169719.db2.gz YAUBRMXFOZYVQK-UONOGXRCSA-N 0 0 281.400 2.968 10 70 CFIERN COc1ccc(CN2CCO[C@@H](c3nccs3)C2)cc1 ZINC000161441497 524035379 /nfs/dbraw/zinc/03/53/79/524035379.db2.gz ORGLZAODMGLWGS-CQSZACIVSA-N 0 0 290.388 2.725 10 70 CFIERN CC1(O)CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000161201302 528043387 /nfs/dbraw/zinc/04/33/87/528043387.db2.gz XLXJEDCLLQMOAF-UHFFFAOYSA-N 0 0 297.782 2.553 10 70 CFIERN CCCC(=O)N[C@H]1CCCN(C(=O)NCC(CC)CC)C1 ZINC000160601085 348019201 /nfs/dbraw/zinc/01/92/01/348019201.db2.gz YHHJQHZBHRNRMF-AWEZNQCLSA-N 0 0 297.443 2.513 10 70 CFIERN COc1cccc(Cl)c1CC(=O)N1[C@H](C)COC[C@@H]1C ZINC000160134598 188457284 /nfs/dbraw/zinc/45/72/84/188457284.db2.gz SDWCDULEEFXJLJ-PHIMTYICSA-N 0 0 297.782 2.527 10 70 CFIERN CCOC1CC(Nc2cc(C(=O)N(C)C)ccc2C)C1 ZINC000160199841 188459413 /nfs/dbraw/zinc/45/94/13/188459413.db2.gz OAHNHISCXJZHCU-UHFFFAOYSA-N 0 0 276.380 2.676 10 70 CFIERN COC[C@@H](C)C(=O)N[C@@H]1CCCc2sccc21 ZINC000159972657 188449615 /nfs/dbraw/zinc/44/96/15/188449615.db2.gz UMBRWHKCLLHFEG-MWLCHTKSSA-N 0 0 253.367 2.524 10 70 CFIERN CO[C@@]1(CNc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000160642265 540677115 /nfs/dbraw/zinc/67/71/15/540677115.db2.gz PKQYJKSNBOFDDG-GFCCVEGCSA-N 0 0 275.270 2.923 10 70 CFIERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCSCC1 ZINC000160819608 296072862 /nfs/dbraw/zinc/07/28/62/296072862.db2.gz CMEPVIMAIRMJRH-QWHCGFSZSA-N 0 0 253.411 2.778 10 70 CFIERN COC[C@@H](C)C(=O)N[C@H]1CCCc2sccc21 ZINC000159972910 378740102 /nfs/dbraw/zinc/74/01/02/378740102.db2.gz UMBRWHKCLLHFEG-KOLCDFICSA-N 0 0 253.367 2.524 10 70 CFIERN CCc1ccc([C@H](C)NC(=O)[C@@H]2CCCCO2)cc1 ZINC000159958943 378740722 /nfs/dbraw/zinc/74/07/22/378740722.db2.gz QUUBFMJLPPCEKS-WFASDCNBSA-N 0 0 261.365 2.995 10 70 CFIERN COC(=O)[C@H](C)CN(C)c1ccnc2c(F)cc(F)cc12 ZINC000160025416 378743031 /nfs/dbraw/zinc/74/30/31/378743031.db2.gz KDFQWHYJZIVINR-SECBINFHSA-N 0 0 294.301 2.758 10 70 CFIERN CNC(=O)[C@H]1CCCC[C@H]1Nc1nc(C(C)(C)C)ns1 ZINC000160042234 378745178 /nfs/dbraw/zinc/74/51/78/378745178.db2.gz VJUKCZIHEJIBKL-VHSXEESVSA-N 0 0 296.440 2.552 10 70 CFIERN COC[C@@H](C)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000159523705 378714250 /nfs/dbraw/zinc/71/42/50/378714250.db2.gz AAKLJYJMMHKNPT-LLVKDONJSA-N 0 0 281.783 2.770 10 70 CFIERN Cc1noc([C@H]2COCCN2Cc2cc(C)cc(C)c2)n1 ZINC000161000460 394366773 /nfs/dbraw/zinc/36/67/73/394366773.db2.gz ROHCMUIBIWYMBB-OAHLLOKOSA-N 0 0 287.363 2.568 10 70 CFIERN CC1(C)C[C@H](NC(=O)CCn2cccn2)c2ccccc2O1 ZINC000159997849 275864718 /nfs/dbraw/zinc/86/47/18/275864718.db2.gz JQDMHGYMXZODLF-AWEZNQCLSA-N 0 0 299.374 2.692 10 70 CFIERN CC(C)c1cc(N2CC[C@]3(O)CCCC[C@@H]3C2)ncn1 ZINC000160670333 278019357 /nfs/dbraw/zinc/01/93/57/278019357.db2.gz BSKYRAQMTHEEAT-CZUORRHYSA-N 0 0 275.396 2.731 10 70 CFIERN CC(C)c1cc(N2CC[C@@]3(O)CCCC[C@@H]3C2)ncn1 ZINC000160670494 278019366 /nfs/dbraw/zinc/01/93/66/278019366.db2.gz BSKYRAQMTHEEAT-CJNGLKHVSA-N 0 0 275.396 2.731 10 70 CFIERN Cc1ccccc1[C@@H](C)N[C@H]1CCCn2ncnc21 ZINC000159774556 281356462 /nfs/dbraw/zinc/35/64/62/281356462.db2.gz HYTRYDZSVCMVQZ-OCCSQVGLSA-N 0 0 256.353 2.772 10 70 CFIERN Cc1nccnc1N[C@H]1CCCc2cc(N)ccc21 ZINC000159502929 293660023 /nfs/dbraw/zinc/66/00/23/293660023.db2.gz QNQWOJDBCRLHSS-AWEZNQCLSA-N 0 0 254.337 2.857 10 70 CFIERN C[C@@H]1CC[C@@H](C(=O)Nc2cccc3cnccc32)O1 ZINC000159602420 322325003 /nfs/dbraw/zinc/32/50/03/322325003.db2.gz MRJMGGCDAWCRMF-YGRLFVJLSA-N 0 0 256.305 2.741 10 70 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/nfs/dbraw/zinc/14/53/57/521145357.db2.gz XUFNHPWHVIUZQA-LBPRGKRZSA-N 0 0 281.352 2.828 10 70 CFIERN Cc1ccc([C@@H](C)NC(=O)c2cccc(-c3nc[nH]n3)c2)o1 ZINC000160392985 525718266 /nfs/dbraw/zinc/71/82/66/525718266.db2.gz FUZQYCVZURFXHI-LLVKDONJSA-N 0 0 296.330 2.864 10 70 CFIERN Fc1cccc(CN2CCO[C@H](c3nccs3)C2)c1 ZINC000161439299 526386289 /nfs/dbraw/zinc/38/62/89/526386289.db2.gz NBSXXGZYSBMQMA-ZDUSSCGKSA-N 0 0 278.352 2.856 10 70 CFIERN CCNc1ccnc(CC[C@H]2COc3ccccc3O2)n1 ZINC000218268641 348166434 /nfs/dbraw/zinc/16/64/34/348166434.db2.gz QJBCZQOCGQVVFK-LBPRGKRZSA-N 0 0 285.347 2.681 10 70 CFIERN CO[C@]1(CNc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000160642126 540677322 /nfs/dbraw/zinc/67/73/22/540677322.db2.gz PKQYJKSNBOFDDG-LBPRGKRZSA-N 0 0 275.270 2.923 10 70 CFIERN CO[C@@H](C)C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159493596 378711925 /nfs/dbraw/zinc/71/19/25/378711925.db2.gz OABQJHHEHPECIG-STQMWFEESA-N 0 0 279.380 2.934 10 70 CFIERN CC(C)COc1ccc([C@H](C)NC(=O)c2ccn[nH]2)cc1 ZINC000159751886 378729093 /nfs/dbraw/zinc/72/90/93/378729093.db2.gz LSORSBHJTZHZNL-LBPRGKRZSA-N 0 0 287.363 2.936 10 70 CFIERN CCC(CC)CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000160604085 378786653 /nfs/dbraw/zinc/78/66/53/378786653.db2.gz PISDNYGZHHBZTC-UHFFFAOYSA-N 0 0 292.427 2.745 10 70 CFIERN C[C@@H]1COC[C@@H](C)N1C(=O)Cc1ccc(F)cc1Cl ZINC000160637916 378788340 /nfs/dbraw/zinc/78/83/40/378788340.db2.gz VXMROYXAZCMHIR-NXEZZACHSA-N 0 0 285.746 2.657 10 70 CFIERN O=C(NCc1nccs1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000160744124 378795148 /nfs/dbraw/zinc/79/51/48/378795148.db2.gz KPTOZFWBEJIYBC-NWDGAFQWSA-N 0 0 264.394 2.976 10 70 CFIERN CCCOc1cccc(CC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000161479316 378849755 /nfs/dbraw/zinc/84/97/55/378849755.db2.gz NAOQKOTXOOIYEN-BBRMVZONSA-N 0 0 291.391 2.702 10 70 CFIERN Cc1ccc2c(c1)N(C(=O)[C@@H]1CC[C@H](C)O1)C[C@H](C)O2 ZINC000159521425 292329971 /nfs/dbraw/zinc/32/99/71/292329971.db2.gz OYJHOJVNEMCQBQ-HUBLWGQQSA-N 0 0 275.348 2.676 10 70 CFIERN C[C@@H]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)c2ccccc21 ZINC000159464965 287703800 /nfs/dbraw/zinc/70/38/00/287703800.db2.gz UFFLENQPDAFHFX-IAQYHMDHSA-N 0 0 282.343 2.743 10 70 CFIERN CC(C)c1ccccc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161106630 276061723 /nfs/dbraw/zinc/06/17/23/276061723.db2.gz ZGGXSUVSSVUGID-GFCCVEGCSA-N 0 0 299.378 2.538 10 70 CFIERN C[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2O)O1 ZINC000159656205 322326091 /nfs/dbraw/zinc/32/60/91/322326091.db2.gz SAEKQGSRRNSJPT-HQJQHLMTSA-N 0 0 255.701 2.552 10 70 CFIERN C[C@H]1CC[C@H](C(=O)Nc2cc(Cl)ccc2O)O1 ZINC000159656070 322326215 /nfs/dbraw/zinc/32/62/15/322326215.db2.gz SAEKQGSRRNSJPT-WRWORJQWSA-N 0 0 255.701 2.552 10 70 CFIERN C[C@@H]1CC[C@H](C(=O)Nc2cc(-c3ccccc3)on2)O1 ZINC000159814964 322328623 /nfs/dbraw/zinc/32/86/23/322328623.db2.gz TUKHFBOXWRPWAA-ZYHUDNBSSA-N 0 0 272.304 2.848 10 70 CFIERN CCC[C@@H](NC(=O)[C@H](C)C1CC1)C(=O)OC(C)(C)C ZINC000161343111 322350268 /nfs/dbraw/zinc/35/02/68/322350268.db2.gz ZTEJWZUYAACHMA-ZYHUDNBSSA-N 0 0 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/nfs/dbraw/zinc/33/51/46/322335146.db2.gz NIOOSAOVPUMLJO-CYBMUJFWSA-N 0 0 258.369 2.847 10 70 CFIERN CCc1noc([C@H](C)N[C@@H](CC)c2nccs2)n1 ZINC000161075310 322346994 /nfs/dbraw/zinc/34/69/94/322346994.db2.gz MSXGZSXJVAAJAF-IUCAKERBSA-N 0 0 266.370 2.890 10 70 CFIERN CC(C)n1ccnc1CS(=O)(=O)CCc1ccccc1 ZINC000161220989 520032896 /nfs/dbraw/zinc/03/28/96/520032896.db2.gz UGUXDECPFWIFIR-UHFFFAOYSA-N 0 0 292.404 2.622 10 70 CFIERN CCOC(=O)[C@H]1CC[C@H](Nc2nc(C(C)(C)C)ns2)C1 ZINC000159994165 521316201 /nfs/dbraw/zinc/31/62/01/521316201.db2.gz XEVAQQXMASGDFU-UWVGGRQHSA-N 0 0 297.424 2.979 10 70 CFIERN CCOc1cncc(N[C@@H]2CCCc3cc(N)ccc32)n1 ZINC000159478825 521600479 /nfs/dbraw/zinc/60/04/79/521600479.db2.gz XXRFZNASEQAZIJ-CQSZACIVSA-N 0 0 284.363 2.947 10 70 CFIERN CN(CC(C)(C)O)c1ccnc2c(F)cc(F)cc12 ZINC000159493999 522554912 /nfs/dbraw/zinc/55/49/12/522554912.db2.gz PRQCIHFNYUJGOE-UHFFFAOYSA-N 0 0 266.291 2.720 10 70 CFIERN CN(CCn1cccn1)c1ccnc2c(F)cc(F)cc12 ZINC000159426347 523009950 /nfs/dbraw/zinc/00/99/50/523009950.db2.gz YWRWLBWQABXJEE-UHFFFAOYSA-N 0 0 288.301 2.846 10 70 CFIERN C[C@@H](CO)[C@@H](C)Nc1ccnc2c(F)cc(F)cc12 ZINC000159595636 524812506 /nfs/dbraw/zinc/81/25/06/524812506.db2.gz JEUWHTURUYIVLJ-DTWKUNHWSA-N 0 0 266.291 2.942 10 70 CFIERN C[C@H](O)CCNc1ccnc2c(F)cc(F)cc12 ZINC000159493104 525731431 /nfs/dbraw/zinc/73/14/31/525731431.db2.gz RSZCYEVGZCVIOD-QMMMGPOBSA-N 0 0 252.264 2.696 10 70 CFIERN Fc1cccc(CN2CCO[C@@H](c3nccs3)C2)c1 ZINC000161439436 526387202 /nfs/dbraw/zinc/38/72/02/526387202.db2.gz NBSXXGZYSBMQMA-CYBMUJFWSA-N 0 0 278.352 2.856 10 70 CFIERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(C)(CC)CC ZINC000159450892 540993143 /nfs/dbraw/zinc/99/31/43/540993143.db2.gz JCEVZGGXVZXYOX-LLVKDONJSA-N 0 0 278.400 2.618 10 70 CFIERN Cc1ccnc(N[C@@H]2CCCc3cc(N)ccc32)n1 ZINC000159486632 378712553 /nfs/dbraw/zinc/71/25/53/378712553.db2.gz XGJAJVPMRAORNP-CQSZACIVSA-N 0 0 254.337 2.857 10 70 CFIERN CC(C)COc1ccc([C@@H](C)NC(=O)c2cn[nH]c2)cc1 ZINC000159536133 378715586 /nfs/dbraw/zinc/71/55/86/378715586.db2.gz VSTJTBPAJIKQPL-GFCCVEGCSA-N 0 0 287.363 2.936 10 70 CFIERN COc1ccc(C(F)(F)C(=O)N[C@@H](C)C2CC2)cc1 ZINC000159704513 378726464 /nfs/dbraw/zinc/72/64/64/378726464.db2.gz JTXADBMPQYMKHI-VIFPVBQESA-N 0 0 269.291 2.702 10 70 CFIERN O=C(NCCc1cccnc1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000159812474 378732213 /nfs/dbraw/zinc/73/22/13/378732213.db2.gz BTJZVRDUTHEESQ-JKSUJKDBSA-N 0 0 272.392 2.957 10 70 CFIERN COC[C@H](C)C(=O)N(C)c1ccc(OC)c(Cl)c1 ZINC000160300475 378762038 /nfs/dbraw/zinc/76/20/38/378762038.db2.gz LQBKQCCPFSPBPC-VIFPVBQESA-N 0 0 271.744 2.594 10 70 CFIERN CCC[C@@H](NC(=O)c1ccco1)C(=O)OC(C)(C)C ZINC000161404418 378844725 /nfs/dbraw/zinc/84/47/25/378844725.db2.gz OGVDSIBAYGAGFD-SNVBAGLBSA-N 0 0 267.325 2.520 10 70 CFIERN C[C@H]1COC[C@H](C)N1C(=O)C1CCC(C)(C)CC1 ZINC000160639506 322340674 /nfs/dbraw/zinc/34/06/74/322340674.db2.gz QQCLMKZMWKFZAB-RYUDHWBXSA-N 0 0 253.386 2.839 10 70 CFIERN CC(C)(C)OC(=O)N1CCC[C@@H](n2cccn2)CC1 ZINC000218217228 382789273 /nfs/dbraw/zinc/78/92/73/382789273.db2.gz OVLAPXXKUAKLCV-GFCCVEGCSA-N 0 0 265.357 2.845 10 70 CFIERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NC2(CO)CC2)cc1 ZINC000160300593 322336393 /nfs/dbraw/zinc/33/63/93/322336393.db2.gz CVLBVJMZTDTTAQ-HUUCEWRRSA-N 0 0 273.376 2.555 10 70 CFIERN Cn1ccc(NC(=O)N[C@H]2CCCc3cc(F)ccc32)n1 ZINC000160756010 322342462 /nfs/dbraw/zinc/34/24/62/322342462.db2.gz TUBFSIFENHTCLR-ZDUSSCGKSA-N 0 0 288.326 2.758 10 70 CFIERN CCc1noc([C@@H](C)N[C@@H](CC)c2nccs2)n1 ZINC000161075195 322347050 /nfs/dbraw/zinc/34/70/50/322347050.db2.gz MSXGZSXJVAAJAF-BDAKNGLRSA-N 0 0 266.370 2.890 10 70 CFIERN CCc1noc([C@H](C)N[C@H](CC)c2nccs2)n1 ZINC000161075559 322347131 /nfs/dbraw/zinc/34/71/31/322347131.db2.gz MSXGZSXJVAAJAF-DTWKUNHWSA-N 0 0 266.370 2.890 10 70 CFIERN CCc1nc(CN2CCC(c3ccnn3C)CC2)cs1 ZINC000160532827 522300773 /nfs/dbraw/zinc/30/07/73/522300773.db2.gz GPIRPFOBWYQHFQ-UHFFFAOYSA-N 0 0 290.436 2.819 10 70 CFIERN CNC(=O)[C@@H]1CCCC[C@@H]1Nc1nc(C(C)(C)C)ns1 ZINC000160042650 188452831 /nfs/dbraw/zinc/45/28/31/188452831.db2.gz VJUKCZIHEJIBKL-ZJUUUORDSA-N 0 0 296.440 2.552 10 70 CFIERN COc1ccc([C@H](C)CCNC(=O)C[C@@H](O)C(C)C)cc1 ZINC000160862207 188495681 /nfs/dbraw/zinc/49/56/81/188495681.db2.gz QZXPLSBJXGBXND-CZUORRHYSA-N 0 0 293.407 2.712 10 70 CFIERN CCOCC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159609949 378719875 /nfs/dbraw/zinc/71/98/75/378719875.db2.gz JZBTUSMEGITEKJ-ZDUSSCGKSA-N 0 0 279.380 2.935 10 70 CFIERN O=C(NCCc1cccnc1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000159812338 378731401 /nfs/dbraw/zinc/73/14/01/378731401.db2.gz BTJZVRDUTHEESQ-CVEARBPZSA-N 0 0 272.392 2.957 10 70 CFIERN CC(C)Nc1cc(F)ccc1NC(=O)C[C@@H](O)C(C)C ZINC000160702603 378791734 /nfs/dbraw/zinc/79/17/34/378791734.db2.gz DGXSZWXMQMYTPI-CQSZACIVSA-N 0 0 282.359 2.992 10 70 CFIERN Cc1ccccc1[C@H](C)NC(=O)NO[C@H]1CCCCO1 ZINC000161103831 378821325 /nfs/dbraw/zinc/82/13/25/378821325.db2.gz YNEVYWLGJPNTOR-JSGCOSHPSA-N 0 0 278.352 2.813 10 70 CFIERN COC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2C)C1 ZINC000161367859 378842351 /nfs/dbraw/zinc/84/23/51/378842351.db2.gz INIKUOJMDSQSKY-LLVKDONJSA-N 0 0 295.766 2.674 10 70 CFIERN CCC[C@H](NC(=O)c1ccc(C)o1)C(=O)OC(C)(C)C ZINC000161381987 378843309 /nfs/dbraw/zinc/84/33/09/378843309.db2.gz RAXIVEZVJDRCFW-NSHDSACASA-N 0 0 281.352 2.828 10 70 CFIERN CCC[C@@H](C(=O)Nc1cccc(COC)c1)[NH+](C)C ZINC000161487087 378850662 /nfs/dbraw/zinc/85/06/62/378850662.db2.gz DZYHUWIATHWDCM-AWEZNQCLSA-N 0 0 264.369 2.502 10 70 CFIERN CCC[C@@H](C(=O)NCc1ccc(COCC)cc1)[NH+](C)C ZINC000161495655 378851425 /nfs/dbraw/zinc/85/14/25/378851425.db2.gz NCAKSYWRPRPHOR-INIZCTEOSA-N 0 0 292.423 2.570 10 70 CFIERN CC1(C)CN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CCO1 ZINC000160357052 281215415 /nfs/dbraw/zinc/21/54/15/281215415.db2.gz GLUSOUNQJOZRKV-KGLIPLIRSA-N 0 0 265.397 2.840 10 70 CFIERN CCc1noc([C@@H](C)N[C@H](CC)c2nccs2)n1 ZINC000161075442 322346901 /nfs/dbraw/zinc/34/69/01/322346901.db2.gz MSXGZSXJVAAJAF-RKDXNWHRSA-N 0 0 266.370 2.890 10 70 CFIERN CCC[C@@H](NC(=O)C[C@H]1CCCCO1)C(=O)OC(C)(C)C ZINC000161470054 520733995 /nfs/dbraw/zinc/73/39/95/520733995.db2.gz SYODWVIBPJRCKU-CHWSQXEVSA-N 0 0 299.411 2.572 10 70 CFIERN Cc1noc([C@@H]2COCCN2Cc2cccc(C)c2C)n1 ZINC000161059633 526658403 /nfs/dbraw/zinc/65/84/03/526658403.db2.gz LVIDYWBJSJLREB-HNNXBMFYSA-N 0 0 287.363 2.568 10 70 CFIERN Cc1nccc(N[C@H]2CCCc3cc(N)ccc32)n1 ZINC000159491078 282191706 /nfs/dbraw/zinc/19/17/06/282191706.db2.gz BJKDSSQYYYSRDO-AWEZNQCLSA-N 0 0 254.337 2.857 10 70 CFIERN Cc1nccc(N[C@@H]2CCCc3cc(N)ccc32)n1 ZINC000159490928 282191238 /nfs/dbraw/zinc/19/12/38/282191238.db2.gz BJKDSSQYYYSRDO-CQSZACIVSA-N 0 0 254.337 2.857 10 70 CFIERN Cc1cnn(CCNC(=O)C2CCC(C)(C)CC2)c1 ZINC000160507606 188477826 /nfs/dbraw/zinc/47/78/26/188477826.db2.gz KRBWNRZXGHIXKW-UHFFFAOYSA-N 0 0 263.385 2.524 10 70 CFIERN CCOc1ccccc1N(C)Cc1nnc(CC)o1 ZINC000159422049 378708604 /nfs/dbraw/zinc/70/86/04/378708604.db2.gz VSPBXYLWCXKVFX-UHFFFAOYSA-N 0 0 261.325 2.667 10 70 CFIERN COCCC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159817705 378731735 /nfs/dbraw/zinc/73/17/35/378731735.db2.gz AARXJCIMZJEAGC-ZDUSSCGKSA-N 0 0 279.380 2.935 10 70 CFIERN C[C@@H](NC(=O)c1cc(F)cc2cccnc21)[C@@H]1CCCO1 ZINC000160273748 378760544 /nfs/dbraw/zinc/76/05/44/378760544.db2.gz UPSKWGNJDWWBSL-YGRLFVJLSA-N 0 0 288.322 2.671 10 70 CFIERN CC(C)[C@H](O)CC(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000161114243 378822812 /nfs/dbraw/zinc/82/28/12/378822812.db2.gz REWYIKYEWDYJSV-DGCLKSJQSA-N 0 0 299.798 2.631 10 70 CFIERN O=c1cc(C(F)F)c2sc(N3CCCCC3)nc2[nH]1 ZINC000217014337 382785517 /nfs/dbraw/zinc/78/55/17/382785517.db2.gz IQJXKHPTRSMVKL-UHFFFAOYSA-N 0 0 285.319 2.913 10 70 CFIERN CC(C)(C)OC(=O)N1CCC[C@H](n2cccn2)CC1 ZINC000218217145 382789240 /nfs/dbraw/zinc/78/92/40/382789240.db2.gz OVLAPXXKUAKLCV-LBPRGKRZSA-N 0 0 265.357 2.845 10 70 CFIERN C[C@@H]1CC[C@@H](C(=O)Nc2cc(-c3cccs3)[nH]n2)O1 ZINC000159651286 322325767 /nfs/dbraw/zinc/32/57/67/322325767.db2.gz NHZPSDWWEJDEMB-SCZZXKLOSA-N 0 0 277.349 2.644 10 70 CFIERN C[C@H]1CC[C@H](C(=O)Nc2cc(-c3cccs3)[nH]n2)O1 ZINC000159651160 322325784 /nfs/dbraw/zinc/32/57/84/322325784.db2.gz NHZPSDWWEJDEMB-WCBMZHEXSA-N 0 0 277.349 2.644 10 70 CFIERN