smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)NC1CCN(Cc2c(F)cc(F)cc2F)CC1 ZINC000067801013 1030922086 /nfs/dbraw/zinc/92/20/86/1030922086.db2.gz UUFHFFBUZGEUFQ-UHFFFAOYSA-N 0 0 344.377 3.593 40 0 EHABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H]1CC(=O)O[C@@H]12 ZINC000061946552 1043988761 /nfs/dbraw/zinc/98/87/61/1043988761.db2.gz UHRRKAOLVBHHLU-NDKKHFGOSA-N 0 0 330.468 3.852 40 0 EHABRN Cc1cccc(N2CCN(C(=O)CCc3ccccc3F)CC2)c1C ZINC000047221058 1138042609 /nfs/dbraw/zinc/04/26/09/1138042609.db2.gz YQUKALKUYOSDOW-UHFFFAOYSA-N 0 0 340.442 3.724 40 0 EHABRN O=C(N[C@@H](Cc1ccccc1)c1[nH]nc2ncccc21)C1CCCCC1 ZINC000012088223 201824522 /nfs/dbraw/zinc/82/45/22/201824522.db2.gz IGZNNQPRJUBIQK-SFHVURJKSA-N 0 0 348.450 3.938 40 0 EHABRN COc1cc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc(OC)c1OC ZINC000013647892 201905561 /nfs/dbraw/zinc/90/55/61/201905561.db2.gz 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/nfs/dbraw/zinc/00/88/50/202008850.db2.gz LKWQLIZUQRKXRV-INIZCTEOSA-N 0 0 334.423 3.653 40 0 EHABRN CC(C)c1nc2cc(NC(=O)c3ccn(C(F)F)n3)ccc2n1C ZINC000019453825 202009326 /nfs/dbraw/zinc/00/93/26/202009326.db2.gz LNHXPCWGQMJHNL-UHFFFAOYSA-N 0 0 333.342 3.541 40 0 EHABRN Cc1noc(-c2cn[nH]c2[C@H]2CCCN2C(=O)c2ccccc2)c1C ZINC000019558059 202011755 /nfs/dbraw/zinc/01/17/55/202011755.db2.gz XVGXWPSMBBSPGH-MRXNPFEDSA-N 0 0 336.395 3.659 40 0 EHABRN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000039954000 213245179 /nfs/dbraw/zinc/24/51/79/213245179.db2.gz ZPBSAYSDHWHNQV-GFCCVEGCSA-N 0 0 346.349 3.879 40 0 EHABRN CCOc1cccc(CNC(=O)CSc2ccc(OC)cc2)c1 ZINC000019932737 202027038 /nfs/dbraw/zinc/02/70/38/202027038.db2.gz AAZQOSYUHOUQCM-UHFFFAOYSA-N 0 0 331.437 3.502 40 0 EHABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(OC)cc1OC ZINC000019934407 202027904 /nfs/dbraw/zinc/02/79/04/202027904.db2.gz SHFBMRKOTSFLEK-INIZCTEOSA-N 0 0 329.396 3.808 40 0 EHABRN CCOc1ccc(CCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1OCC ZINC000019934349 202027992 /nfs/dbraw/zinc/02/79/92/202027992.db2.gz PRFWYIXTZJMHLK-GVDBMIGSSA-N 0 0 331.456 3.721 40 0 EHABRN CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000020029944 202028975 /nfs/dbraw/zinc/02/89/75/202028975.db2.gz CCLOZFGOBZGKTH-GFCCVEGCSA-N 0 0 339.844 3.778 40 0 EHABRN COc1cc(NC(=O)c2ccc(F)cc2)ccc1-c1ccc(CO)o1 ZINC000020138213 202033636 /nfs/dbraw/zinc/03/36/36/202033636.db2.gz XYEXWPNPFDFKHJ-UHFFFAOYSA-N 0 0 341.338 3.839 40 0 EHABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000020453753 202042849 /nfs/dbraw/zinc/04/28/49/202042849.db2.gz MUETXVJFYCGMLO-ACJLOTCBSA-N 0 0 331.387 3.869 40 0 EHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1OC ZINC000020491313 202045071 /nfs/dbraw/zinc/04/50/71/202045071.db2.gz GWNGDAOLEYUROP-KRWDZBQOSA-N 0 0 331.387 3.650 40 0 EHABRN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 ZINC000020494496 202046670 /nfs/dbraw/zinc/04/66/70/202046670.db2.gz ABMKGTUONGAOLC-OAHLLOKOSA-N 0 0 340.423 3.976 40 0 EHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000020495459 202046720 /nfs/dbraw/zinc/04/67/20/202046720.db2.gz BHRQUBMWMYBAKG-UGSOOPFHSA-N 0 0 331.387 3.869 40 0 EHABRN CC[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000020492712 202046931 /nfs/dbraw/zinc/04/69/31/202046931.db2.gz ALCKECAUMCWHNK-QGZVFWFLSA-N 0 0 327.424 3.904 40 0 EHABRN CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(OC)cc1 ZINC000020493344 202047012 /nfs/dbraw/zinc/04/70/12/202047012.db2.gz SMELXIQXYFIQQG-MRXNPFEDSA-N 0 0 333.815 3.822 40 0 EHABRN CSc1ccccc1NC(=O)c1cn(C)c2ccc(F)cc2c1=O ZINC000022236464 202080856 /nfs/dbraw/zinc/08/08/56/202080856.db2.gz ZXFMHAADYCFNNO-UHFFFAOYSA-N 0 0 342.395 3.652 40 0 EHABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCc1ccco1 ZINC000022245719 202082565 /nfs/dbraw/zinc/08/25/65/202082565.db2.gz XSQRGULPADGCCI-UHFFFAOYSA-N 0 0 331.372 3.857 40 0 EHABRN COC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1C ZINC000022534192 202087286 /nfs/dbraw/zinc/08/72/86/202087286.db2.gz PTUNAPMZCPJSGN-LBPRGKRZSA-N 0 0 347.798 3.841 40 0 EHABRN COc1cccc(OC)c1/C=C/C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000022606199 202087635 /nfs/dbraw/zinc/08/76/35/202087635.db2.gz SOUXASUYPOMUAU-XZHRJIJLSA-N 0 0 329.371 3.734 40 0 EHABRN C[C@H](Sc1ccccc1)C(=O)NCCCN(C)c1ccccc1 ZINC000023428035 202105257 /nfs/dbraw/zinc/10/52/57/202105257.db2.gz DZNCASGWGKKXNK-INIZCTEOSA-N 0 0 328.481 3.810 40 0 EHABRN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000023530359 202106320 /nfs/dbraw/zinc/10/63/20/202106320.db2.gz GLUISWMPODIJOV-OLZOCXBDSA-N 0 0 333.815 3.993 40 0 EHABRN CC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000025514067 202133552 /nfs/dbraw/zinc/13/35/52/202133552.db2.gz NDGDTYGQYXXBJA-SCLBCKFNSA-N 0 0 331.387 3.869 40 0 EHABRN CC(C)(C)OC(=O)N1CC(Oc2ccc(OC(F)(F)F)cc2)C1 ZINC000039954240 202165648 /nfs/dbraw/zinc/16/56/48/202165648.db2.gz JZENRZOHLRPYLB-UHFFFAOYSA-N 0 0 333.306 3.583 40 0 EHABRN Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)c1ccncc1 ZINC000028220973 202166577 /nfs/dbraw/zinc/16/65/77/202166577.db2.gz 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PXNORATUDGHCQV-LBPRGKRZSA-N 0 0 331.437 3.917 40 0 EHABRN C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000030943907 202201758 /nfs/dbraw/zinc/20/17/58/202201758.db2.gz NSIPRSFXJOJQJA-QGZVFWFLSA-N 0 0 333.435 3.683 40 0 EHABRN Cc1cccc(NC(=O)Nc2ncn(Cc3cccc(Cl)c3)n2)c1 ZINC000032609910 212817394 /nfs/dbraw/zinc/81/73/94/212817394.db2.gz NRQXBCDYERRIHL-UHFFFAOYSA-N 0 0 341.802 3.932 40 0 EHABRN CC(C)(C)OC(=O)N1CCC[C@@H](C[S@](=O)c2ccc(F)cc2)C1 ZINC000072203989 216070324 /nfs/dbraw/zinc/07/03/24/216070324.db2.gz ISUSPTWNOAYTDW-JCQPUDPBSA-N 0 0 341.448 3.580 40 0 EHABRN CCc1ccccc1N1C(=O)C[C@H](Nc2c(C)cc(C)cc2C)C1=O ZINC000036635545 202328030 /nfs/dbraw/zinc/32/80/30/202328030.db2.gz BQMWJPSEPNEDNF-KRWDZBQOSA-N 0 0 336.435 3.918 40 0 EHABRN COc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 ZINC000038771541 202407121 /nfs/dbraw/zinc/40/71/21/202407121.db2.gz JTTNPLRLLQIXSS-GFCCVEGCSA-N 0 0 347.436 3.832 40 0 EHABRN CCCc1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)s1 ZINC000000148474 209452113 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ZINC000218971339 241354980 /nfs/dbraw/zinc/35/49/80/241354980.db2.gz VQCMNPPUXPAXLN-INIZCTEOSA-N 0 0 327.424 3.520 40 0 EHABRN CCCC(=O)NC(=S)Nc1nc2cc(Cl)c(OC)cc2s1 ZINC000000558532 201486537 /nfs/dbraw/zinc/48/65/37/201486537.db2.gz ZUDQSPOTUZFIAS-UHFFFAOYSA-N 0 0 343.861 3.571 40 0 EHABRN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Cl)cc3)oc2c1 ZINC000000557364 201486788 /nfs/dbraw/zinc/48/67/88/201486788.db2.gz DRGYFRLJWZUZTD-UHFFFAOYSA-N 0 0 329.743 3.692 40 0 EHABRN Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 ZINC000219309784 241377769 /nfs/dbraw/zinc/37/77/69/241377769.db2.gz RBRXFUUHKYOIIU-FUHWJXTLSA-N 0 0 341.451 3.963 40 0 EHABRN COc1ccc(CCCNC(=O)c2ccccc2OC(C)C)cc1 ZINC000219738996 241405843 /nfs/dbraw/zinc/40/58/43/241405843.db2.gz VVVJOLGARXOFGR-UHFFFAOYSA-N 0 0 327.424 3.845 40 0 EHABRN COc1ccccc1O[C@H](C)C(=O)NCCCc1cccc(C)c1 ZINC000219496525 241390595 /nfs/dbraw/zinc/39/05/95/241390595.db2.gz KKSTWEYITJZOEY-MRXNPFEDSA-N 0 0 327.424 3.520 40 0 EHABRN 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CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)OC)N2 ZINC000409356243 564011853 /nfs/dbraw/zinc/01/18/53/564011853.db2.gz FUKNONXNLGZJOQ-RULNRJAQSA-N 0 0 336.354 3.528 40 0 EHABRN Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1C ZINC000006339863 564014773 /nfs/dbraw/zinc/01/47/73/564014773.db2.gz SMGSYGWKYHJGGT-QGZVFWFLSA-N 0 0 336.435 3.912 40 0 EHABRN S=c1[nH]ncn1NCc1ccc(OCc2ccccc2Cl)cc1 ZINC000007602529 564015710 /nfs/dbraw/zinc/01/57/10/564015710.db2.gz QVWLRHYMXNBYGT-UHFFFAOYSA-N 0 0 346.843 3.917 40 0 EHABRN Cc1ccc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)cc1 ZINC000010543258 564017497 /nfs/dbraw/zinc/01/74/97/564017497.db2.gz GVDCFASHSJPEKZ-UHFFFAOYSA-N 0 0 347.480 3.693 40 0 EHABRN CCOC(=O)c1ccccc1NC(=O)CSc1ccc(C)cc1 ZINC000011400469 564017669 /nfs/dbraw/zinc/01/76/69/564017669.db2.gz ZVHJFLKTBGMQLV-UHFFFAOYSA-N 0 0 329.421 3.903 40 0 EHABRN CCCOCc1nn(C2CCCC2)cc1I ZINC000408717229 564017735 /nfs/dbraw/zinc/01/77/35/564017735.db2.gz XDIPVDJTNRBVDY-UHFFFAOYSA-N 0 0 334.201 3.529 40 0 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326.396 3.668 40 0 EHABRN CCOc1ccc(CCCNC(=O)Cc2ccc(C)c(C)c2)cc1 ZINC000218808040 564034431 /nfs/dbraw/zinc/03/44/31/564034431.db2.gz QVSRGSQEMCLQOM-UHFFFAOYSA-N 0 0 325.452 3.994 40 0 EHABRN COc1ccc(OC[C@H](C)NC(=O)c2cc3ccccc3o2)cc1 ZINC000219945912 564035633 /nfs/dbraw/zinc/03/56/33/564035633.db2.gz HIZQLIXPUUQPAY-ZDUSSCGKSA-N 0 0 325.364 3.639 40 0 EHABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)n3C)N21 ZINC000222685291 564037465 /nfs/dbraw/zinc/03/74/65/564037465.db2.gz JSKRCOPIPBWRAC-IAOVAPTHSA-N 0 0 326.469 3.708 40 0 EHABRN CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000222733282 564037574 /nfs/dbraw/zinc/03/75/74/564037574.db2.gz BPWOIAKCSQLDDP-IAGOWNOFSA-N 0 0 326.469 3.601 40 0 EHABRN CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 ZINC000222762971 564037696 /nfs/dbraw/zinc/03/76/96/564037696.db2.gz HTZNSLYGKHFHDZ-IRXDYDNUSA-N 0 0 326.469 3.601 40 0 EHABRN CCCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)N[C@H](C)CC ZINC000223081603 564038882 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ZINC000026067718 564039002 /nfs/dbraw/zinc/03/90/02/564039002.db2.gz CXULPDNDZRAYLH-UHFFFAOYSA-N 0 0 346.430 3.837 40 0 EHABRN CCc1ccc([C@H](C)NS(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000223176105 564039156 /nfs/dbraw/zinc/03/91/56/564039156.db2.gz KKMNQMLXADKVSG-HNNXBMFYSA-N 0 0 347.480 3.914 40 0 EHABRN COc1cc(C)c(S(=O)(=O)NC2CCCCCCC2)c(C)c1 ZINC000223211077 564039254 /nfs/dbraw/zinc/03/92/54/564039254.db2.gz MWDLQENAPVGQFT-UHFFFAOYSA-N 0 0 325.474 3.703 40 0 EHABRN Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 ZINC000223248342 564039395 /nfs/dbraw/zinc/03/93/95/564039395.db2.gz XOIBNJIMLHALPQ-OAHLLOKOSA-N 0 0 329.465 3.832 40 0 EHABRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)ccc1F ZINC000223259103 564039436 /nfs/dbraw/zinc/03/94/36/564039436.db2.gz NYCIZVSBDTYSMD-CYBMUJFWSA-N 0 0 333.428 3.662 40 0 EHABRN COc1cc(C)c(S(=O)(=O)N[C@H](C)CCc2ccccc2)c(C)c1 ZINC000223267513 564039488 /nfs/dbraw/zinc/03/94/88/564039488.db2.gz KFWJCQRCNPUYKW-MRXNPFEDSA-N 0 0 347.480 3.612 40 0 EHABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1Cc1ccccc1 ZINC000223370821 564039683 /nfs/dbraw/zinc/03/96/83/564039683.db2.gz LNUJMBVMFFYWNJ-QZTJIDSGSA-N 0 0 334.448 3.582 40 0 EHABRN Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 ZINC000223393036 564039761 /nfs/dbraw/zinc/03/97/61/564039761.db2.gz LSXQUEZSIFPREL-MOPGFXCFSA-N 0 0 348.475 3.593 40 0 EHABRN Cc1ccc(S[C@@H](C)C(=O)NCCOc2ccccc2C)cc1 ZINC000223438586 564040006 /nfs/dbraw/zinc/04/00/06/564040006.db2.gz IOYKMXMDCRBUED-INIZCTEOSA-N 0 0 329.465 3.979 40 0 EHABRN Cc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1C ZINC000223446238 564040076 /nfs/dbraw/zinc/04/00/76/564040076.db2.gz JNASLMFMWJZPOE-HNNXBMFYSA-N 0 0 335.444 3.932 40 0 EHABRN COc1cc(C)c(S(=O)(=O)N2CCC(C)CC2)cc1C(C)C ZINC000223471661 564040154 /nfs/dbraw/zinc/04/01/54/564040154.db2.gz JMJPBQQPLBUDLO-UHFFFAOYSA-N 0 0 325.474 3.548 40 0 EHABRN COc1ccc(C(=O)N[C@@H](C)COc2ccccc2C)cc1Cl ZINC000223800191 564040895 /nfs/dbraw/zinc/04/08/95/564040895.db2.gz IMXDIIZJVZURSC-ZDUSSCGKSA-N 0 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564045655 /nfs/dbraw/zinc/04/56/55/564045655.db2.gz GKSXFSAALZGDJY-UHFFFAOYSA-N 0 0 327.472 3.959 40 0 EHABRN COC(=O)c1cc(NC(=S)NCc2ccc(C)cc2)ccc1Cl ZINC000225311212 564045866 /nfs/dbraw/zinc/04/58/66/564045866.db2.gz FRTHHUZLCWGMIT-UHFFFAOYSA-N 0 0 348.855 3.922 40 0 EHABRN C[C@]1(c2cccc(Br)c2)NC(=S)N(c2ccccc2)N1 ZINC000225342389 564046060 /nfs/dbraw/zinc/04/60/60/564046060.db2.gz KKNADCUOYBPZOH-HNNXBMFYSA-N 0 0 348.269 3.521 40 0 EHABRN CCOc1ccc(CCCNC(=O)c2ccc(OC)c(F)c2)cc1 ZINC000225393295 564046358 /nfs/dbraw/zinc/04/63/58/564046358.db2.gz YGAGUKWHTWENAX-UHFFFAOYSA-N 0 0 331.387 3.596 40 0 EHABRN CCc1ccc(CC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1 ZINC000225420240 564046536 /nfs/dbraw/zinc/04/65/36/564046536.db2.gz ICQXKZZTLDJKSW-OAHLLOKOSA-N 0 0 338.451 3.959 40 0 EHABRN COc1ccc(Nc2ccc(C(=O)OC(C)C)cc2N)c(OC)c1 ZINC000225432752 564046675 /nfs/dbraw/zinc/04/66/75/564046675.db2.gz TVGNDDAJZBPLME-UHFFFAOYSA-N 0 0 330.384 3.595 40 0 EHABRN Cc1ccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)c(C)c1 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3.923 40 0 EHABRN c1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)cc1 ZINC000329068024 564072104 /nfs/dbraw/zinc/07/21/04/564072104.db2.gz YMQZWCGEFKFZAI-UHFFFAOYSA-N 0 0 345.450 3.871 40 0 EHABRN C[C@@H](NC(=O)OC(C)(C)C)c1nc([C@@H]2CCCSCC2)no1 ZINC000575415037 564079051 /nfs/dbraw/zinc/07/90/51/564079051.db2.gz LORQEXBEJREYIS-GHMZBOCLSA-N 0 0 327.450 3.656 40 0 EHABRN Cc1cc2c(n1S(=O)(=O)c1ccc(C)cc1)C(=O)[C@@H](C)[C@H]2C(C)C ZINC000026897194 564090363 /nfs/dbraw/zinc/09/03/63/564090363.db2.gz WMTAJCNYQCEBJV-WMLDXEAASA-N 0 0 345.464 3.914 40 0 EHABRN COc1c(Br)cc(C(C)(C)C)cc1C(=O)N1CCCC1 ZINC000057339354 564091526 /nfs/dbraw/zinc/09/15/26/564091526.db2.gz ZAMQXMVBNDXBDB-UHFFFAOYSA-N 0 0 340.261 3.991 40 0 EHABRN COc1ccccc1C(=O)Nc1ccc(N2CCCC[C@H]2C)c(N)c1 ZINC000226267237 564117286 /nfs/dbraw/zinc/11/72/86/564117286.db2.gz CEIHPYVFRJMECD-CQSZACIVSA-N 0 0 339.439 3.909 40 0 EHABRN CCOc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)c1 ZINC000226267344 564117309 /nfs/dbraw/zinc/11/73/09/564117309.db2.gz 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ZINC000029977477 563909101 /nfs/dbraw/zinc/90/91/01/563909101.db2.gz DZFGTAQMZPSZFR-UHFFFAOYSA-N 0 0 342.449 3.695 40 0 EHABRN COc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c(OC)c1 ZINC000030753258 563910497 /nfs/dbraw/zinc/91/04/97/563910497.db2.gz UOPUDZZZHPTVOV-CQSZACIVSA-N 0 0 329.396 3.727 40 0 EHABRN CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1 ZINC000031055269 563912005 /nfs/dbraw/zinc/91/20/05/563912005.db2.gz NSMGIZGOFHSRAG-UHFFFAOYSA-N 0 0 333.771 3.778 40 0 EHABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccco1 ZINC000031252297 563912280 /nfs/dbraw/zinc/91/22/80/563912280.db2.gz HNOQJGGTESCBDR-GFCCVEGCSA-N 0 0 339.844 3.750 40 0 EHABRN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1cccc(C)c1C ZINC000031692380 563912936 /nfs/dbraw/zinc/91/29/36/563912936.db2.gz WENPNKINORRNCS-CVEARBPZSA-N 0 0 327.424 3.957 40 0 EHABRN CC(C)Oc1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000031775281 563912983 /nfs/dbraw/zinc/91/29/83/563912983.db2.gz MILIFXLFRGKADK-UHFFFAOYSA-N 0 0 338.407 3.853 40 0 EHABRN COc1cccc(/C=C2\SC(=O)N(C(C)C)C2=O)c1OC(C)C ZINC000032109720 563913555 /nfs/dbraw/zinc/91/35/55/563913555.db2.gz NTFYZRBDFICEEI-ZROIWOOFSA-N 0 0 335.425 3.927 40 0 EHABRN CCCCc1ccc2[nH]c(=NC(=S)NC(=O)CC(C)C)sc2c1 ZINC000032119160 563913560 /nfs/dbraw/zinc/91/35/60/563913560.db2.gz JZYTUUXAMUNLFH-UHFFFAOYSA-N 0 0 349.525 3.920 40 0 EHABRN COC(=O)c1ccc2nc(-c3ccccc3C(=O)OC)sc2c1 ZINC000073740513 563921037 /nfs/dbraw/zinc/92/10/37/563921037.db2.gz MHXOHQFMNKECGR-UHFFFAOYSA-N 0 0 327.361 3.537 40 0 EHABRN O=C(COc1cccnc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000041091635 563924206 /nfs/dbraw/zinc/92/42/06/563924206.db2.gz AVNBNQMAXZTLIV-UHFFFAOYSA-N 0 0 330.693 3.771 40 0 EHABRN O=C(CCc1nc(-c2cccc(Cl)c2)no1)NC1CCCCC1 ZINC000041184785 563924397 /nfs/dbraw/zinc/92/43/97/563924397.db2.gz BQUNBCOFOSQUID-UHFFFAOYSA-N 0 0 333.819 3.772 40 0 EHABRN Cc1ccc([C@H](C)NC(=O)CN2c3cccc4cccc(c34)C2=O)cc1 ZINC000044884761 563927423 /nfs/dbraw/zinc/92/74/23/563927423.db2.gz BNYKLSWPMZAHGR-HNNXBMFYSA-N 0 0 344.414 3.986 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Cc1ccc(C(=O)N2NC(C(C)C)=C[C@]2(O)C(F)(F)F)cc1Cl ZINC000409098141 564009875 /nfs/dbraw/zinc/00/98/75/564009875.db2.gz NMEFYLJOYUZRAN-AWEZNQCLSA-N 0 0 348.752 3.757 40 0 EHABRN COCCN1C(=O)S/C(=C/c2cc(C)n(C(C)(C)C)c2C)C1=O ZINC000409132676 564010381 /nfs/dbraw/zinc/01/03/81/564010381.db2.gz JRYLWDWUCPIVPT-GXDHUFHOSA-N 0 0 336.457 3.543 40 0 EHABRN N=C(Nc1ccccc1)Nc1nc(=O)cc(-c2ccc(Cl)cc2)o1 ZINC000003138214 564012370 /nfs/dbraw/zinc/01/23/70/564012370.db2.gz VSUGXVQBLJHGND-UHFFFAOYSA-N 0 0 340.770 3.814 40 0 EHABRN COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1Cl ZINC000000571661 564012825 /nfs/dbraw/zinc/01/28/25/564012825.db2.gz PJKCXNDCKHVPEB-UHFFFAOYSA-N 0 0 325.817 3.766 40 0 EHABRN Cc1ccc(C)c(NC(=O)CSCC(=O)Nc2ccc(F)cc2)c1 ZINC000000581436 564012881 /nfs/dbraw/zinc/01/28/81/564012881.db2.gz ZWKNFBCGBUAWAM-UHFFFAOYSA-N 0 0 346.427 3.753 40 0 EHABRN COC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000005660605 564014266 /nfs/dbraw/zinc/01/42/66/564014266.db2.gz JATBIIGQTZXCHD-UHFFFAOYSA-N 0 0 347.798 3.924 40 0 EHABRN CCCCn1nnnc1NCc1c(OCC)ccc2ccccc21 ZINC000007262105 564015440 /nfs/dbraw/zinc/01/54/40/564015440.db2.gz PEJOIHRFKSSOMB-UHFFFAOYSA-N 0 0 325.416 3.637 40 0 EHABRN CCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2CC)C1 ZINC000007724162 564015765 /nfs/dbraw/zinc/01/57/65/564015765.db2.gz CXYXZXCFNXYIJK-KRWDZBQOSA-N 0 0 336.435 3.803 40 0 EHABRN Cc1ccc(C)c(N2C[C@H](C(=O)Nc3cccc(Cl)c3)CC2=O)c1 ZINC000007882283 564015779 /nfs/dbraw/zinc/01/57/79/564015779.db2.gz SMUQQQCGFOSANC-CQSZACIVSA-N 0 0 342.826 3.948 40 0 EHABRN Cc1ccc(C)c(N2C[C@H](C(=O)Nc3cccc(C)c3C)CC2=O)c1 ZINC000007882301 564015812 /nfs/dbraw/zinc/01/58/12/564015812.db2.gz UCFZGFNYXWVGLK-QGZVFWFLSA-N 0 0 336.435 3.912 40 0 EHABRN CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000010111061 564017095 /nfs/dbraw/zinc/01/70/95/564017095.db2.gz WHELUSNECSAXEF-OAHLLOKOSA-N 0 0 345.414 3.741 40 0 EHABRN CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 ZINC000010441843 564017432 /nfs/dbraw/zinc/01/74/32/564017432.db2.gz RZVQYJBJGIGZLU-GFCCVEGCSA-N 0 0 347.798 3.923 40 0 EHABRN COc1cccc(C(=O)NCCCc2cccc(OC(C)C)c2)c1 ZINC000010542304 564017456 /nfs/dbraw/zinc/01/74/56/564017456.db2.gz RMQDWHMKCJCHDU-UHFFFAOYSA-N 0 0 327.424 3.845 40 0 EHABRN CC[C@@H](C)OCc1nn(CCC(F)(F)F)cc1Br ZINC000408717053 564017738 /nfs/dbraw/zinc/01/77/38/564017738.db2.gz VHCGFGYSLHZBTL-MRVPVSSYSA-N 0 0 329.160 3.913 40 0 EHABRN COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3=C(C)C)[C@@H]2C1=O ZINC000013898962 564020711 /nfs/dbraw/zinc/02/07/11/564020711.db2.gz IBAUWIPXHSTXMF-LZDSYCOUSA-N 0 0 343.810 3.606 40 0 EHABRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)CC)c2)c1C ZINC000014405475 564023386 /nfs/dbraw/zinc/02/33/86/564023386.db2.gz LMLUSISYXXPGIO-UHFFFAOYSA-N 0 0 342.443 3.901 40 0 EHABRN COC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCC2 ZINC000016281519 564024547 /nfs/dbraw/zinc/02/45/47/564024547.db2.gz GBQJWZPKSNPYPG-UHFFFAOYSA-N 0 0 332.450 3.832 40 0 EHABRN Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2)CC1=O ZINC000096685812 564025129 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/nfs/dbraw/zinc/04/72/19/564047219.db2.gz QIQLIFXYWMGETC-OAHLLOKOSA-N 0 0 331.441 3.537 40 0 EHABRN CC[C@@H](NC(=S)Nc1ncccc1OC)c1ccc(OC)cc1 ZINC000225491351 564047223 /nfs/dbraw/zinc/04/72/23/564047223.db2.gz QHUUMYJIWQUZKI-CQSZACIVSA-N 0 0 331.441 3.537 40 0 EHABRN CCc1ccc(CC(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 ZINC000225580248 564047955 /nfs/dbraw/zinc/04/79/55/564047955.db2.gz VAAFKWZJUFJPGN-UHFFFAOYSA-N 0 0 333.435 3.602 40 0 EHABRN Cc1ccc(SCCNS(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000225601753 564048254 /nfs/dbraw/zinc/04/82/54/564048254.db2.gz GWFFMIJFBVYLIE-UHFFFAOYSA-N 0 0 339.457 3.513 40 0 EHABRN C[C@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(F)cc1 ZINC000225609274 564048361 /nfs/dbraw/zinc/04/83/61/564048361.db2.gz YSVVNGYMOAMXLD-AWEZNQCLSA-N 0 0 327.399 3.961 40 0 EHABRN COc1ccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)cc1 ZINC000225794072 564049753 /nfs/dbraw/zinc/04/97/53/564049753.db2.gz CJMUDYRLKUJQOJ-UHFFFAOYSA-N 0 0 333.391 3.637 40 0 EHABRN CC(C)(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2Cl)cc1 ZINC000059417461 564050743 /nfs/dbraw/zinc/05/07/43/564050743.db2.gz OIABJEIWKBLOCX-UHFFFAOYSA-N 0 0 344.842 3.892 40 0 EHABRN Cc1ccccc1[C@@H](O)CNC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000096475379 564051311 /nfs/dbraw/zinc/05/13/11/564051311.db2.gz DWRAWHFXEIYMHO-KKUMJFAQSA-N 0 0 329.362 3.513 40 0 EHABRN Cc1ccc(C[C@H]2CCCN(C(=O)CCc3cccs3)C2)cn1 ZINC000257294601 564054932 /nfs/dbraw/zinc/05/49/32/564054932.db2.gz QUVXEUGOXKQGAM-QGZVFWFLSA-N 0 0 328.481 3.865 40 0 EHABRN Cc1cccc(Nc2cc([C@H]3CCCN3Cc3ncc[nH]3)ccn2)n1 ZINC000257297081 564054972 /nfs/dbraw/zinc/05/49/72/564054972.db2.gz RFSYQGLIEIEHIO-MRXNPFEDSA-N 0 0 334.427 3.589 40 0 EHABRN Cc1nccc([C@@H]2CCCN2C(=O)c2ccc(OC(C)C)cc2)n1 ZINC000257296458 564055003 /nfs/dbraw/zinc/05/50/03/564055003.db2.gz RCXSAPPKBCLDSX-SFHVURJKSA-N 0 0 325.412 3.550 40 0 EHABRN Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCN2Cc2ccc(F)cc2)n1 ZINC000257304924 564055167 /nfs/dbraw/zinc/05/51/67/564055167.db2.gz SNRFIWLWUYIVIU-KRWDZBQOSA-N 0 0 337.402 3.651 40 0 EHABRN Cc1oc2c(c1C(=O)N1CCC[C@H](c3cncc(C)n3)C1)CCCC2 ZINC000257320573 564055404 /nfs/dbraw/zinc/05/54/04/564055404.db2.gz VXKBWNNRDMWKSA-HNNXBMFYSA-N 0 0 339.439 3.585 40 0 EHABRN Cc1cc(N2CCC(C)(c3ncc(Cc4ccccc4)o3)CC2)ncn1 ZINC000257344639 564055831 /nfs/dbraw/zinc/05/58/31/564055831.db2.gz ZYDDVGVOWUEVGM-UHFFFAOYSA-N 0 0 348.450 3.922 40 0 EHABRN CCN(C(=O)NCc1ccc(F)cc1)C(=O)Nc1ccccc1OC ZINC000027232083 564060167 /nfs/dbraw/zinc/06/01/67/564060167.db2.gz YWQDLUUZKSEOKY-UHFFFAOYSA-N 0 0 345.374 3.598 40 0 EHABRN CC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000004024141 564061080 /nfs/dbraw/zinc/06/10/80/564061080.db2.gz WKAVAGKRWFGIEA-QWLXMNPYSA-N 0 0 328.452 3.903 40 0 biogenic EHABRN Cc1ccc(N2C[C@H](C(=O)OCc3cccc(Cl)c3)CC2=O)cc1 ZINC000000555912 564065488 /nfs/dbraw/zinc/06/54/88/564065488.db2.gz RMLKTAMURGDBSK-OAHLLOKOSA-N 0 0 343.810 3.745 40 0 EHABRN Fc1ccc(Nc2cc(Cl)nc(-c3ccccn3)n2)c(F)c1F ZINC000328986930 564071249 /nfs/dbraw/zinc/07/12/49/564071249.db2.gz 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/nfs/dbraw/zinc/11/17/49/564111749.db2.gz IMDGWKNOHSOJHJ-UPMCQBDUSA-N 0 0 333.478 3.604 40 0 EHABRN NC(=O)c1cc(N)ccc1N(Cc1ccccc1)Cc1ccccc1 ZINC000225484881 564118244 /nfs/dbraw/zinc/11/82/44/564118244.db2.gz WGCGHEKORLTWNG-UHFFFAOYSA-N 0 0 331.419 3.575 40 0 EHABRN O=C(OCc1ccccc1)C(=O)P(O)CCCCc1ccccc1 ZINC000071791170 564120570 /nfs/dbraw/zinc/12/05/70/564120570.db2.gz JCKIYOQDEUMEFZ-IBGZPJMESA-N 0 0 346.363 3.631 40 0 EHABRN COc1cc(Nc2cc(Cl)nc(C3CC3)n2)c(OC)cc1Cl ZINC000329015907 564120802 /nfs/dbraw/zinc/12/08/02/564120802.db2.gz NDRHHRHZLKUWRO-UHFFFAOYSA-N 0 0 340.210 3.844 40 0 EHABRN N#C/C(=C\c1cccs1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005769718 564125728 /nfs/dbraw/zinc/12/57/28/564125728.db2.gz CKMDJBUKFFUOFU-RMKNXTFCSA-N 0 0 333.756 3.855 40 0 EHABRN COc1ccc(-c2nnc(SC(=O)c3ccccc3)o2)c(OC)c1 ZINC000007939506 564126936 /nfs/dbraw/zinc/12/69/36/564126936.db2.gz RKPCADLCEKNROQ-UHFFFAOYSA-N 0 0 342.376 3.686 40 0 EHABRN Cc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1C ZINC000007929434 564126939 /nfs/dbraw/zinc/12/69/39/564126939.db2.gz GVJSPDSKEKTZRW-AWEZNQCLSA-N 0 0 343.810 3.915 40 0 EHABRN COc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000010298883 564127693 /nfs/dbraw/zinc/12/76/93/564127693.db2.gz OVIKGYVLNRAGBP-WJDWOHSUSA-N 0 0 348.402 3.954 40 0 EHABRN CCOc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1C ZINC000030287739 564128270 /nfs/dbraw/zinc/12/82/70/564128270.db2.gz AUSZXBYPJLLLFQ-UHFFFAOYSA-N 0 0 339.844 3.526 40 0 EHABRN CCC[C@H]1CO[C@@](Cn2cnnc2)(c2ccc(Cl)cc2Cl)O1 ZINC000077312595 564134214 /nfs/dbraw/zinc/13/42/14/564134214.db2.gz NZEKXQPHAKNDLR-SWLSCSKDSA-N 0 0 342.226 3.653 40 0 in-vitro EHABRN CC(C)c1ccc(C2=Nn3c(nnc3C(F)(F)F)SC2)cc1 ZINC000027752004 564134396 /nfs/dbraw/zinc/13/43/96/564134396.db2.gz LBRGRYLZMDMCJL-UHFFFAOYSA-N 0 0 326.347 3.778 40 0 EHABRN C[C@H](O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000004023398 564160075 /nfs/dbraw/zinc/16/00/75/564160075.db2.gz OFWWSHNAQHDEIN-DIFWEZOQSA-N 0 0 334.500 3.566 40 0 biogenic EHABRN CN1C(=O)c2c(c(-c3ccc(O)cc3)ccc2-c2ccc(O)cc2)C1=O ZINC000141653769 564167610 /nfs/dbraw/zinc/16/76/10/564167610.db2.gz PZJAVRSQMLUAME-UHFFFAOYSA-N 0 0 345.354 3.658 40 0 EHABRN Cc1[nH]c2c(I)cccc2c(=O)c1C(C)C ZINC000061688055 564177743 /nfs/dbraw/zinc/17/77/43/564177743.db2.gz LHYNODQKXNQULH-UHFFFAOYSA-N 0 0 327.165 3.565 40 0 EHABRN CC(C)(C)C(=O)Nc1ccc(Cl)cc1I ZINC000156940221 1020560482 /nfs/dbraw/zinc/56/04/82/1020560482.db2.gz DPUAVGIWYDXESF-UHFFFAOYSA-N 0 0 337.588 3.929 40 0 EHABRN CC/N=C1\S/C(=C/c2ccc(Br)cc2)C(=O)N1CC ZINC000109596750 1120121912 /nfs/dbraw/zinc/12/19/12/1120121912.db2.gz PMCCTCLJRGNFMM-XATUQZFKSA-N 0 0 339.258 3.761 40 0 EHABRN Cc1nc2ccc(NC(=O)N3[C@H](C)C[C@@H](c4ccccc4)[C@H]3C)cn2n1 ZINC000333158520 1137956827 /nfs/dbraw/zinc/95/68/27/1137956827.db2.gz GVEYNODYDXWSAX-HBUWYVDXSA-N 0 0 349.438 3.836 40 0 EHABRN COC(=O)C[C@H]1c2ccc3ccccc3c2CC[C@@]1(C)C(=O)OC ZINC000004721414 210260413 /nfs/dbraw/zinc/26/04/13/210260413.db2.gz 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535469702 /nfs/dbraw/zinc/46/97/02/535469702.db2.gz ZHJONGDVPWVKMZ-CQSZACIVSA-N 0 0 330.453 3.839 40 0 EHABRN CCOc1ccccc1CNC(=O)CSCc1ccccc1F ZINC000222709034 535506679 /nfs/dbraw/zinc/50/66/79/535506679.db2.gz BYTQOHUAVCFFTJ-UHFFFAOYSA-N 0 0 333.428 3.774 40 0 EHABRN CCNc1cc([C@@H]2CCCN2Cc2ccc(F)c(OC)c2)nc(C)n1 ZINC000257259963 535522096 /nfs/dbraw/zinc/52/20/96/535522096.db2.gz LAUKFCJDUBCDJQ-KRWDZBQOSA-N 0 0 344.434 3.702 40 0 EHABRN CCOc1cc(/C=C/C(=O)OC)ccc1OCc1ccc(F)cc1 ZINC000216943682 535659169 /nfs/dbraw/zinc/65/91/69/535659169.db2.gz LWSURRKKOWIUMW-YRNVUSSQSA-N 0 0 330.355 3.990 40 0 EHABRN CCOC(=O)c1cc(NC(=S)NC(CC)CC)ccc1Cl ZINC000225801473 535680112 /nfs/dbraw/zinc/68/01/12/535680112.db2.gz MJSNTEQWACPRDC-UHFFFAOYSA-N 0 0 328.865 3.992 40 0 EHABRN CCOC(=O)c1cccc(NC(=S)NCc2ccccc2C)c1 ZINC000225309696 535702107 /nfs/dbraw/zinc/70/21/07/535702107.db2.gz PRNXCHQNPCSHMZ-UHFFFAOYSA-N 0 0 328.437 3.658 40 0 EHABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCOc1ccc(C)cc1 ZINC000222965140 535817783 /nfs/dbraw/zinc/81/77/83/535817783.db2.gz LCQXTXYGWKUBTI-LJQANCHMSA-N 0 0 341.451 3.964 40 0 EHABRN CC[C@@H](Oc1cccc(C)c1)C(=O)NCCOc1ccc(C)c(C)c1 ZINC000224438766 535818106 /nfs/dbraw/zinc/81/81/06/535818106.db2.gz YCAXAERAQVOKRA-HXUWFJFHSA-N 0 0 341.451 3.964 40 0 EHABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCN(C)c1ccccc1 ZINC000219323456 536047918 /nfs/dbraw/zinc/04/79/18/536047918.db2.gz IJIVTJZVAPMLDR-SFHVURJKSA-N 0 0 346.858 3.750 40 0 EHABRN CC[C@H](Oc1ccccc1C)C(=O)NCCOc1cccc(C)c1 ZINC000224433675 536049695 /nfs/dbraw/zinc/04/96/95/536049695.db2.gz SVZSBVFEABSLRK-SFHVURJKSA-N 0 0 327.424 3.656 40 0 EHABRN CC[C@H](Oc1ccccc1F)C(=O)NCCCc1ccc(OC)cc1 ZINC000219573972 536054294 /nfs/dbraw/zinc/05/42/94/536054294.db2.gz UDJRAQYBJIADBA-SFHVURJKSA-N 0 0 345.414 3.741 40 0 EHABRN COc1ccc(/C=C/C(N)=O)cc1OCc1cccc2ccccc21 ZINC000216897822 536595318 /nfs/dbraw/zinc/59/53/18/536595318.db2.gz IQAZEEKLJHGAMW-ZRDIBKRKSA-N 0 0 333.387 3.926 40 0 EHABRN COc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000219510740 537030503 /nfs/dbraw/zinc/03/05/03/537030503.db2.gz AOVVRHPKMAGHLV-QGZVFWFLSA-N 0 0 341.451 3.828 40 0 EHABRN COC(=O)c1c(Br)c2ccccc2nc1C(F)(F)F ZINC000095830836 563977666 /nfs/dbraw/zinc/97/76/66/563977666.db2.gz JHMSXHOIEAWQCC-UHFFFAOYSA-N 0 0 334.091 3.803 40 0 EHABRN O=C1C[C@@H](c2cccc(F)c2)Cc2nc(Br)sc21 ZINC000085389931 563986177 /nfs/dbraw/zinc/98/61/77/563986177.db2.gz HZUNTHFMRMVFLB-QMMMGPOBSA-N 0 0 326.190 3.957 40 0 EHABRN CCOc1cc(C=O)cc(I)c1O[C@@H](C)CC ZINC000005656388 564014242 /nfs/dbraw/zinc/01/42/42/564014242.db2.gz PSLLAPLLTJDBIA-VIFPVBQESA-N 0 0 348.180 3.680 40 0 EHABRN Cc1cc(NC(=O)c2ccco2)ncc1NC(=O)c1cccc(F)c1 ZINC000000412304 563308393 /nfs/dbraw/zinc/30/83/93/563308393.db2.gz PGZVDSHGJRQGPJ-UHFFFAOYSA-N 0 0 339.326 3.627 40 0 EHABRN C[C@@H]1Oc2ccccc2N(Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000001328530 563383412 /nfs/dbraw/zinc/38/34/12/563383412.db2.gz XXNGDANDDPUZBC-NSHDSACASA-N 0 0 337.297 3.899 40 0 EHABRN O=C(Cc1nc2ccccc2o1)C(=O)Nc1ccccc1C(F)(F)F ZINC000001617133 563397110 /nfs/dbraw/zinc/39/71/10/563397110.db2.gz NHIQOMWPRPNUAZ-UHFFFAOYSA-N 0 0 348.280 3.597 40 0 EHABRN Cc1ccccc1C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000408530660 563416863 /nfs/dbraw/zinc/41/68/63/563416863.db2.gz JLBZNKXTOSTVKO-UHFFFAOYSA-N 0 0 346.184 3.592 40 0 EHABRN COc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1Cl ZINC000408585608 563485659 /nfs/dbraw/zinc/48/56/59/563485659.db2.gz GYNCNEOGABQVTF-UHFFFAOYSA-N 0 0 331.865 3.740 40 0 EHABRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C ZINC000005167167 563521749 /nfs/dbraw/zinc/52/17/49/563521749.db2.gz XHCCPSKYYJBSAA-HFLNPCQSSA-N 0 0 332.484 3.774 40 0 EHABRN CCc1ccccc1N1C[C@H](C(=O)Oc2cc(C)cc(C)c2)CC1=O ZINC000408660147 563524497 /nfs/dbraw/zinc/52/44/97/563524497.db2.gz LHUMIVSHLDSSEB-QGZVFWFLSA-N 0 0 337.419 3.824 40 0 EHABRN CCc1s/c(=N\c2cccc(Cl)c2)n(C(C)=O)c1OC(C)=O ZINC000005375745 563529783 /nfs/dbraw/zinc/52/97/83/563529783.db2.gz KXEDLASKAFJARM-ICFOKQHNSA-N 0 0 338.816 3.583 40 0 EHABRN CCOC(=O)c1c(=N)sc(-c2ccc(Cl)cc2)nc1SC ZINC000005832762 563551729 /nfs/dbraw/zinc/55/17/29/563551729.db2.gz YTRBXYLEBFRIGV-UHFFFAOYSA-N 0 0 340.857 3.842 40 0 EHABRN Cc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C[NH+]1CCCCC1 ZINC000006263557 563563047 /nfs/dbraw/zinc/56/30/47/563563047.db2.gz WDOOSDNCIQQEMX-ZDUSSCGKSA-N 0 0 340.254 3.818 40 0 EHABRN Cc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)o1 ZINC000006505032 563570352 /nfs/dbraw/zinc/57/03/52/563570352.db2.gz JJYLMMXPPJXDNS-UHFFFAOYSA-N 0 0 325.393 3.835 40 0 EHABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1ccc(OC)cc1 ZINC000408705733 563592660 /nfs/dbraw/zinc/59/26/60/563592660.db2.gz MJWQMCIOLLAKJO-IBGZPJMESA-N 0 0 343.423 3.520 40 0 EHABRN CCOCc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1OC ZINC000007068505 563595001 /nfs/dbraw/zinc/59/50/01/563595001.db2.gz WKUGEOYZEQEBJI-UHFFFAOYSA-N 0 0 333.815 3.815 40 0 EHABRN COc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1OC ZINC000007146348 563596417 /nfs/dbraw/zinc/59/64/17/563596417.db2.gz YNUZMEWWIQUHPA-UHFFFAOYSA-N 0 0 335.400 3.715 40 0 EHABRN COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 ZINC000007294620 563599287 /nfs/dbraw/zinc/59/92/87/563599287.db2.gz ZQVIPOXXLLKTAI-CYBMUJFWSA-N 0 0 331.437 3.501 40 0 EHABRN O=C(Cc1ccc2c(c1)OCCO2)Nc1cc(Cl)cc(Cl)c1 ZINC000008379727 563628308 /nfs/dbraw/zinc/62/83/08/563628308.db2.gz HOXFZMDTLZFCIA-UHFFFAOYSA-N 0 0 338.190 3.946 40 0 EHABRN COc1ccccc1CNC(=O)[C@H](C)Oc1cccc2ccccc21 ZINC000013709045 563713676 /nfs/dbraw/zinc/71/36/76/563713676.db2.gz FJKQSXSYCZDBSH-HNNXBMFYSA-N 0 0 335.403 3.932 40 0 EHABRN COc1ccc(NC(=S)NCCCc2ccccc2)cc1OC ZINC000013817377 563725240 /nfs/dbraw/zinc/72/52/40/563725240.db2.gz ADTKTUAXCOLLSI-UHFFFAOYSA-N 0 0 330.453 3.623 40 0 EHABRN COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Br)c1O ZINC000015017327 563772962 /nfs/dbraw/zinc/77/29/62/563772962.db2.gz QKYWLUVNWAQTIR-WDZFZDKYSA-N 0 0 346.180 3.656 40 0 EHABRN O=C1NC(c2ccccc2F)=N/C1=C\c1ccc(Br)cc1 ZINC000016449463 563811711 /nfs/dbraw/zinc/81/17/11/563811711.db2.gz ZYKROFJDCAWWAT-ZROIWOOFSA-N 0 0 345.171 3.506 40 0 EHABRN OC[C@H]1[C@@H](CO)[C@H]2CC[C@@H]1C2(Cc1ccccc1)Cc1ccccc1 ZINC000018129025 563848954 /nfs/dbraw/zinc/84/89/54/563848954.db2.gz NGWHDADMOCSJFM-COPRSSIGSA-N 0 0 336.475 3.715 40 0 EHABRN Cc1csc(C(=O)N2CC[C@@H](c3nc(C4CCCC4)no3)C2)c1 ZINC000019124452 563854043 /nfs/dbraw/zinc/85/40/43/563854043.db2.gz NGHRPBIJRJJHFU-CYBMUJFWSA-N 0 0 331.441 3.727 40 0 EHABRN Cc1ccc(C)c(CC(=O)N2CCN(c3cccc(C)c3C)CC2)c1 ZINC000020109144 563857647 /nfs/dbraw/zinc/85/76/47/563857647.db2.gz VFUCSVPXMOMSKQ-UHFFFAOYSA-N 0 0 336.479 3.812 40 0 EHABRN COc1ccc(CCC(=O)NCCSCc2ccc(C)cc2)cc1 ZINC000023951440 563867496 /nfs/dbraw/zinc/86/74/96/563867496.db2.gz XDOKIIIFUUMJOD-UHFFFAOYSA-N 0 0 343.492 3.986 40 0 EHABRN COc1ccc(S[C@H](C)C(=O)NCCOc2cccc(C)c2)cc1 ZINC000025368478 563884027 /nfs/dbraw/zinc/88/40/27/563884027.db2.gz RFGCIZIKRPDGLK-OAHLLOKOSA-N 0 0 345.464 3.679 40 0 EHABRN C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccco1 ZINC000031252299 563912269 /nfs/dbraw/zinc/91/22/69/563912269.db2.gz HNOQJGGTESCBDR-LBPRGKRZSA-N 0 0 339.844 3.750 40 0 EHABRN O=C(/C=C\C(=O)N1CCCc2ccccc21)N1CCCc2ccccc21 ZINC000031666779 563912895 /nfs/dbraw/zinc/91/28/95/563912895.db2.gz CCPMQLNGFFJOEA-YPKPFQOOSA-N 0 0 346.430 3.501 40 0 EHABRN CCc1ccccc1N[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000036635519 563920366 /nfs/dbraw/zinc/92/03/66/563920366.db2.gz RYVARZGAXWEFLK-GOSISDBHSA-N 0 0 336.435 3.918 40 0 EHABRN Cc1ccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3)C2=O)cc1C ZINC000036635459 563920374 /nfs/dbraw/zinc/92/03/74/563920374.db2.gz OLOVRNZRQNTAGK-INIZCTEOSA-N 0 0 328.799 3.701 40 0 EHABRN Cc1ccc(C)c(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3)C2=O)c1 ZINC000036635485 563920382 /nfs/dbraw/zinc/92/03/82/563920382.db2.gz NIAVWAAIGFDUFO-OAHLLOKOSA-N 0 0 328.799 3.701 40 0 EHABRN Cc1cccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000036635801 563920417 /nfs/dbraw/zinc/92/04/17/563920417.db2.gz TXARMMCIZDQUAE-MRXNPFEDSA-N 0 0 328.799 3.701 40 0 EHABRN COc1ccc(OC)c(NC(=O)c2cc3cccc(OC)c3o2)c1 ZINC000075485083 563921477 /nfs/dbraw/zinc/92/14/77/563921477.db2.gz QPWYSOFSPKOXFM-UHFFFAOYSA-N 0 0 327.336 3.711 40 0 EHABRN CSc1nnc(NC(=O)CCCOc2ccc(Cl)cc2)s1 ZINC000040990201 563923998 /nfs/dbraw/zinc/92/39/98/563923998.db2.gz AFFDJXDWIQVCDZ-UHFFFAOYSA-N 0 0 343.861 3.711 40 0 EHABRN COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000044949819 563928816 /nfs/dbraw/zinc/92/88/16/563928816.db2.gz ZEZALHUXIUTMLC-QWHCGFSZSA-N 0 0 333.815 3.993 40 0 EHABRN O=C(Nc1ccccc1O)c1ccccc1C(=O)Nc1ccccc1O ZINC000000037901 563964085 /nfs/dbraw/zinc/96/40/85/563964085.db2.gz YIZHYOFWPXTRAC-UHFFFAOYSA-N 0 0 348.358 3.602 40 0 EHABRN O=C(Nc1cccnc1Cl)C(O)(c1ccccc1)c1ccccc1 ZINC000000035406 563964210 /nfs/dbraw/zinc/96/42/10/563964210.db2.gz QUQDRJNDIXPZNO-UHFFFAOYSA-N 0 0 338.794 3.610 40 0 EHABRN COc1ccc(OC)c(-c2cc(-c3ccccc3F)nc(N)n2)c1 ZINC000071977637 563965984 /nfs/dbraw/zinc/96/59/84/563965984.db2.gz BZCNMLOIIHWQFV-UHFFFAOYSA-N 0 0 325.343 3.549 40 0 EHABRN CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1Cl ZINC000074949331 563967090 /nfs/dbraw/zinc/96/70/90/563967090.db2.gz ODIDHIVRANFHKQ-UHFFFAOYSA-N 0 0 332.787 3.949 40 0 EHABRN CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccsc2)c2cccnc2)CC1 ZINC000257255150 563967764 /nfs/dbraw/zinc/96/77/64/563967764.db2.gz KGIKZLHFEXYDNR-SZMVWBNQSA-N 0 0 344.480 3.748 40 0 EHABRN Cc1cccc(OC[C@H](O)Cn2c3ccccc3nc2C2CC2)c1C ZINC000076555371 563968099 /nfs/dbraw/zinc/96/80/99/563968099.db2.gz WMUFKYFHWTWPDW-QGZVFWFLSA-N 0 0 336.435 3.970 40 0 EHABRN O=Cc1ccccc1OCc1nc(-c2ccccc2OC(F)F)no1 ZINC000089262878 563974685 /nfs/dbraw/zinc/97/46/85/563974685.db2.gz AVVDYIJEYIYZLB-UHFFFAOYSA-N 0 0 346.289 3.730 40 0 EHABRN Cc1cccc(CN2C[C@@H]3C[C@@H](c4nc(C5CC5)cs4)O[C@@H]3C2)n1 ZINC000096045849 563977988 /nfs/dbraw/zinc/97/79/88/563977988.db2.gz NRDMAXPJBAUSGG-JCGIZDLHSA-N 0 0 341.480 3.686 40 0 EHABRN Cc1cc(C)c(N2C(=O)C[C@@H](Nc3c(C)cccc3C)C2=O)c(C)c1 ZINC000096248388 563980640 /nfs/dbraw/zinc/98/06/40/563980640.db2.gz NPNBMUKRYSICLW-QGZVFWFLSA-N 0 0 336.435 3.973 40 0 EHABRN 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3.915 40 0 EHABRN COc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2)c(OC)c1 ZINC000000149985 563987376 /nfs/dbraw/zinc/98/73/76/563987376.db2.gz ZGLQEOZUTRHEHZ-UXBLZVDNSA-N 0 0 331.799 3.687 40 0 EHABRN Cc1ccc(N2C(=O)C[C@@H](Nc3ccc4cc[nH]c4c3)C2=O)cc1C ZINC000113562194 563989948 /nfs/dbraw/zinc/98/99/48/563989948.db2.gz RVPJMVQZKPVKRM-GOSISDBHSA-N 0 0 333.391 3.529 40 0 EHABRN CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000113960543 563990574 /nfs/dbraw/zinc/99/05/74/563990574.db2.gz SVPFPABCVGHXSQ-YOEHRIQHSA-N 0 0 343.423 3.739 40 0 EHABRN CN(C)c1ccc(-c2nnn(Cc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000000416986 563997131 /nfs/dbraw/zinc/99/71/31/563997131.db2.gz QTHJVPWZOMSZDQ-UHFFFAOYSA-N 0 0 335.455 3.752 40 0 EHABRN C/C(=C\C[C@@H](O)/C(C)=C/CO)CC/C=C(\C)[C@H]1CC=C(C)C(=O)O1 ZINC000077257266 563999476 /nfs/dbraw/zinc/99/94/76/563999476.db2.gz AQSHRPRBLNBKLZ-PEJWGLTLSA-N 0 0 334.456 3.611 40 0 biogenic,in-vitro EHABRN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN1C(=O)OCC(C)C ZINC000000260549 564000133 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341.451 3.883 40 0 EHABRN Cc1cccc(OCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 ZINC000224609701 564043231 /nfs/dbraw/zinc/04/32/31/564043231.db2.gz WICNPTDDYVGIJI-QGZVFWFLSA-N 0 0 327.424 3.574 40 0 EHABRN CC[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000224807337 564043763 /nfs/dbraw/zinc/04/37/63/564043763.db2.gz KOVBPKKNGYFGFC-MRXNPFEDSA-N 0 0 331.387 3.653 40 0 EHABRN CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)cc1 ZINC000224859331 564043831 /nfs/dbraw/zinc/04/38/31/564043831.db2.gz KLULFEGNVJMMGT-UHFFFAOYSA-N 0 0 339.844 3.872 40 0 EHABRN O=C(CCc1ncc(-c2ccc(Br)cc2)o1)N1CCCC1 ZINC000224879291 564043883 /nfs/dbraw/zinc/04/38/83/564043883.db2.gz QJYOEGWFVRMRQM-UHFFFAOYSA-N 0 0 349.228 3.659 40 0 EHABRN CCOc1ccc(C(=O)N[C@@H](C)COc2ccccc2)cc1Cl ZINC000224974940 564044120 /nfs/dbraw/zinc/04/41/20/564044120.db2.gz OGXUFSHCCPHGDA-ZDUSSCGKSA-N 0 0 333.815 3.936 40 0 EHABRN CCC(=O)N(Cc1ccccc1C)[C@@H](CC)C(=O)NC1CCCCC1 ZINC000225065917 564044642 /nfs/dbraw/zinc/04/46/42/564044642.db2.gz 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FFKDSIVQPYQZGP-UHFFFAOYSA-N 0 0 330.859 3.915 40 0 EHABRN CCOC(=O)c1cccc(NC(=S)NCc2ccccc2C)c1C ZINC000225309741 564045853 /nfs/dbraw/zinc/04/58/53/564045853.db2.gz IJOCZOQUIBEPKQ-UHFFFAOYSA-N 0 0 342.464 3.967 40 0 EHABRN CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(F)c2)c(C)c1 ZINC000225390409 564046343 /nfs/dbraw/zinc/04/63/43/564046343.db2.gz LYJSNWAUGUSUQI-UHFFFAOYSA-N 0 0 331.343 3.572 40 0 EHABRN CC[C@@H](NC(=O)c1ccc(OC)c(F)c1)c1ccc(OC)c(OC)c1 ZINC000225395082 564046391 /nfs/dbraw/zinc/04/63/91/564046391.db2.gz JZPNHXKKDDTRPZ-OAHLLOKOSA-N 0 0 347.386 3.733 40 0 EHABRN COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(OC)c(F)c1 ZINC000225394738 564046418 /nfs/dbraw/zinc/04/64/18/564046418.db2.gz GXQZZFFZJMEVCR-QGZVFWFLSA-N 0 0 329.371 3.650 40 0 EHABRN Cc1cccc(NC(=S)NCCSCc2ccccc2F)n1 ZINC000225414611 564046519 /nfs/dbraw/zinc/04/65/19/564046519.db2.gz KSCCWZWDZLFXKY-UHFFFAOYSA-N 0 0 335.473 3.749 40 0 EHABRN COc1ccc(Nc2ccc(N)cc2C(=O)OC(C)C)c(OC)c1 ZINC000225480761 564047159 /nfs/dbraw/zinc/04/71/59/564047159.db2.gz RCTBVHHQSGPONQ-UHFFFAOYSA-N 0 0 330.384 3.595 40 0 EHABRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1C ZINC000225518762 564047503 /nfs/dbraw/zinc/04/75/03/564047503.db2.gz WKEJKZDIGJAMSH-HNNXBMFYSA-N 0 0 333.453 3.660 40 0 EHABRN CCC[C@](C)(OC)C(=O)Nc1ccc(OCCOC)c(Cl)c1 ZINC000225614245 564048419 /nfs/dbraw/zinc/04/84/19/564048419.db2.gz AHNIHRBTZVTJPD-INIZCTEOSA-N 0 0 329.824 3.509 40 0 EHABRN CCOc1ccc(CCCNC(=S)Nc2ccc(C)cn2)cc1 ZINC000225623456 564048552 /nfs/dbraw/zinc/04/85/52/564048552.db2.gz TYDRSMGXGYUZHR-UHFFFAOYSA-N 0 0 329.469 3.708 40 0 EHABRN CCCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NCC(C)C ZINC000225675792 564049331 /nfs/dbraw/zinc/04/93/31/564049331.db2.gz KVVHHQOLXBVGNP-CQSZACIVSA-N 0 0 338.879 3.629 40 0 EHABRN COc1cc(C)c(S(=O)(=O)Nc2cccc(SC)c2)cc1C ZINC000225690039 564049384 /nfs/dbraw/zinc/04/93/84/564049384.db2.gz FPXBERMLEMCBAE-UHFFFAOYSA-N 0 0 337.466 3.835 40 0 EHABRN CC1(NC(=S)Nc2ccc(N3CCCC3=O)cc2)CCCCC1 ZINC000225865540 564049878 /nfs/dbraw/zinc/04/98/78/564049878.db2.gz KFANMSKBIJZHOT-UHFFFAOYSA-N 0 0 331.485 3.823 40 0 EHABRN Cc1ccc(N2C[C@H](C(=O)Nc3c(C)cccc3C)CC2=O)c(C)c1 ZINC000059227384 564050503 /nfs/dbraw/zinc/05/05/03/564050503.db2.gz GDDXGKCYWQSTAK-QGZVFWFLSA-N 0 0 336.435 3.912 40 0 EHABRN c1cc2n(c1)C[C@H](OCc1ccncc1)CN(Cc1ccsc1)C2 ZINC000247958920 564052869 /nfs/dbraw/zinc/05/28/69/564052869.db2.gz NOLSKKTZMDZKBJ-LJQANCHMSA-N 0 0 339.464 3.546 40 0 EHABRN COc1ccc([C@@H]2Cn3ccnc3CN2Cc2cccs2)cc1 ZINC000257296802 564054967 /nfs/dbraw/zinc/05/49/67/564054967.db2.gz RELXNYDWJCYTDC-KRWDZBQOSA-N 0 0 325.437 3.710 40 0 EHABRN O=C(c1cncnc1)N1CCC[C@H](Cc2cncc3ccccc32)CC1 ZINC000257316542 564055338 /nfs/dbraw/zinc/05/53/38/564055338.db2.gz VGAQXEPMVJLKLF-INIZCTEOSA-N 0 0 346.434 3.510 40 0 EHABRN Cc1cnc(NC(=O)c2ccnc(Cc3ccc(F)cc3)c2)s1 ZINC000257329839 564055537 /nfs/dbraw/zinc/05/55/37/564055537.db2.gz XLTHBAGAXYKYJB-UHFFFAOYSA-N 0 0 327.384 3.829 40 0 EHABRN O=C(c1cccnn1)N1CCC[C@H](Cc2ccc3ncccc3c2)CC1 ZINC000257339500 564055698 /nfs/dbraw/zinc/05/56/98/564055698.db2.gz ZBZRFROFYPVSKZ-INIZCTEOSA-N 0 0 346.434 3.510 40 0 EHABRN CC[C@@H](C)Nc1nc(Nc2cccc(SC)c2)cc(C2CC2)n1 ZINC000328980376 564071232 /nfs/dbraw/zinc/07/12/32/564071232.db2.gz GLWAEUZMDYAZKF-GFCCVEGCSA-N 0 0 328.485 3.874 40 0 EHABRN CNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(C2CC2)n1 ZINC000329032878 564071767 /nfs/dbraw/zinc/07/17/67/564071767.db2.gz QQTQZSOSEYRTCA-UHFFFAOYSA-N 0 0 342.752 3.655 40 0 EHABRN Clc1cc(NCc2ccccc2Cl)nc(-c2ccncc2)n1 ZINC000329059639 564072031 /nfs/dbraw/zinc/07/20/31/564072031.db2.gz WINRKRQLTDEUMI-UHFFFAOYSA-N 0 0 331.206 3.879 40 0 EHABRN O=c1c2cc(Br)ccc2ccn1Cc1cc(C2CC2)no1 ZINC000664105724 564077301 /nfs/dbraw/zinc/07/73/01/564077301.db2.gz YOYXJAMIGUUELS-UHFFFAOYSA-N 0 0 345.196 3.678 40 0 EHABRN Cc1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000003388260 564078707 /nfs/dbraw/zinc/07/87/07/564078707.db2.gz XIDVAYBXXLNHNG-UHFFFAOYSA-N 0 0 348.196 3.553 40 0 EHABRN CCOC(=O)c1sc(NC(=S)Nc2ccc(F)cc2)nc1C ZINC000027515712 564079177 /nfs/dbraw/zinc/07/91/77/564079177.db2.gz USISGUMTFLXDOM-UHFFFAOYSA-N 0 0 339.417 3.576 40 0 EHABRN Nc1ccc(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000015442364 564084095 /nfs/dbraw/zinc/08/40/95/564084095.db2.gz VJOQFKOBRVOEEP-UHFFFAOYSA-N 0 0 333.356 3.714 40 0 EHABRN CCOc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1 ZINC000018204424 564085676 /nfs/dbraw/zinc/08/56/76/564085676.db2.gz DSNMQLOUZRNALW-CYBMUJFWSA-N 0 0 329.396 3.594 40 0 EHABRN Cc1cc(-c2ccc(C=O)o2)cc(C)c1I ZINC000045888742 564090973 /nfs/dbraw/zinc/09/09/73/564090973.db2.gz NUXAHIBNJABOLH-UHFFFAOYSA-N 0 0 326.133 3.981 40 0 EHABRN CC[C@@](O)(c1ccc(OC)cc1)[C@@](O)(CC)c1ccc(OC)cc1 ZINC000001599965 564096093 /nfs/dbraw/zinc/09/60/93/564096093.db2.gz VJQGJQJEDTZCKS-WOJBJXKFSA-N 0 0 330.424 3.599 40 0 EHABRN CC(=O)NC(=O)c1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000085346759 564116088 /nfs/dbraw/zinc/11/60/88/564116088.db2.gz SRFSFFNNTRNZNM-UHFFFAOYSA-N 0 0 342.576 3.639 40 0 EHABRN CC1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2N)CC1 ZINC000226266416 564117259 /nfs/dbraw/zinc/11/72/59/564117259.db2.gz CDXAIJHVFKIBOZ-UHFFFAOYSA-N 0 0 327.403 3.897 40 0 EHABRN CC1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2N)CC1 ZINC000226266499 564117265 /nfs/dbraw/zinc/11/72/65/564117265.db2.gz GLZDQDARJQJKPN-UHFFFAOYSA-N 0 0 327.403 3.897 40 0 EHABRN CCOC(=O)c1cc(N)ccc1N1CCC(Cc2ccccc2)CC1 ZINC000225485645 564118209 /nfs/dbraw/zinc/11/82/09/564118209.db2.gz LCQRWXQHKXRSCT-UHFFFAOYSA-N 0 0 338.451 3.905 40 0 EHABRN Cc1ccc(OCc2nnc3n2N=C(c2ccccc2)CS3)cc1 ZINC000005415542 564125700 /nfs/dbraw/zinc/12/57/00/564125700.db2.gz SODMPPIECDLFSZ-UHFFFAOYSA-N 0 0 336.420 3.524 40 0 EHABRN CC(C)(C)c1ccc(CCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000007911800 564126865 /nfs/dbraw/zinc/12/68/65/564126865.db2.gz HQSRTKMQSSDWPE-UHFFFAOYSA-N 0 0 339.435 3.962 40 0 EHABRN Cc1cc(C)cc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 ZINC000007928896 564126895 /nfs/dbraw/zinc/12/68/95/564126895.db2.gz NYSKNGGTJJUMST-AWEZNQCLSA-N 0 0 343.810 3.915 40 0 EHABRN CCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1OCC ZINC000015231474 564127873 /nfs/dbraw/zinc/12/78/73/564127873.db2.gz UGDNVWPXPBOFKK-UHFFFAOYSA-N 0 0 339.391 3.670 40 0 EHABRN CC(C)C(=O)Nc1nc(-c2cn(C)nc2-c2ccccc2F)cs1 ZINC000019697082 564128071 /nfs/dbraw/zinc/12/80/71/564128071.db2.gz NOFKTFIQCFXOMP-UHFFFAOYSA-N 0 0 344.415 3.944 40 0 EHABRN COc1ccc(CSCC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000020237821 564128082 /nfs/dbraw/zinc/12/80/82/564128082.db2.gz PNBYOQKLAJDMMS-UHFFFAOYSA-N 0 0 331.437 3.884 40 0 EHABRN CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1N(CC)CC ZINC000064874603 564134109 /nfs/dbraw/zinc/13/41/09/564134109.db2.gz SKEUXRRTMCBWCY-UHFFFAOYSA-N 0 0 336.819 3.920 40 0 EHABRN CC(C)(C)OC(=O)N1CCC(c2nnc(-c3cccc(F)c3)[nH]2)CC1 ZINC000064875508 564134145 /nfs/dbraw/zinc/13/41/45/564134145.db2.gz VHCXYYVWDUEERR-UHFFFAOYSA-N 0 0 346.406 3.725 40 0 EHABRN C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCCCCC1 ZINC000225435553 564134683 /nfs/dbraw/zinc/13/46/83/564134683.db2.gz KOCXCVAALIEWGX-LBPRGKRZSA-N 0 0 332.375 3.550 40 0 biogenic,in-vitro EHABRN CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)C(C)(C)C)C=C1C ZINC000030882408 564158043 /nfs/dbraw/zinc/15/80/43/564158043.db2.gz UIMHGVXJCBCURJ-ULQDDVLXSA-N 0 0 337.504 3.957 40 0 biogenic,in-vitro EHABRN Cc1cc(C(=O)Nc2ccc(Br)cn2)c2ccccc2n1 ZINC000046085538 1023964755 /nfs/dbraw/zinc/96/47/55/1023964755.db2.gz GUPRRHUHUZTXSX-UHFFFAOYSA-N 0 0 342.196 3.953 40 0 EHABRN C[C@@H]1CN(C(=O)Nc2cccnc2-c2ccccc2)CC(C)(C)O1 ZINC000156939783 1039887536 /nfs/dbraw/zinc/88/75/36/1039887536.db2.gz JWMWHBNTPBOWMO-CQSZACIVSA-N 0 0 325.412 3.780 40 0 EHABRN C[C@@H](NC(=O)NC[C@H]1CCCC12CC2)c1nccn1-c1ccccc1 ZINC000624066258 1127244460 /nfs/dbraw/zinc/24/44/60/1127244460.db2.gz BKJONGMYVDDYHZ-HZPDHXFCSA-N 0 0 338.455 3.813 40 0 EHABRN CC[C@@H](C)n1cc(C(=O)OC)c(=O)c2cc(F)c(C(F)(F)F)cc21 ZINC000390822636 1120647913 /nfs/dbraw/zinc/64/79/13/1120647913.db2.gz FOEJVIXLLBRJPL-MRVPVSSYSA-N 0 0 345.292 3.917 40 0 EHABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)CCc1ccc(F)cc1 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MOVUZZVOWUGUKU-UHFFFAOYSA-N 0 0 341.392 3.729 40 0 EHABRN Cc1nn(-c2ccc(C)c(Cl)c2)nc1C(=O)N1CCCC[C@H]1C ZINC000059843346 564050884 /nfs/dbraw/zinc/05/08/84/564050884.db2.gz OTOYNLKQCCOIQD-GFCCVEGCSA-N 0 0 332.835 3.552 40 0 EHABRN Cc1nn(-c2ccc(C)c(Cl)c2)nc1C(=O)N1CCCC[C@@H]1C ZINC000059843344 564050913 /nfs/dbraw/zinc/05/09/13/564050913.db2.gz OTOYNLKQCCOIQD-LBPRGKRZSA-N 0 0 332.835 3.552 40 0 EHABRN C[C@H](CC(=O)N[C@@H]1[C@@H](c2ccccc2)[C@@H]2CCCC[C@@H]21)n1cccn1 ZINC000060016540 564050925 /nfs/dbraw/zinc/05/09/25/564050925.db2.gz LIZKWFWPBUVLLX-UTYXMITFSA-N 0 0 337.467 3.923 40 0 EHABRN O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000014373237 564051450 /nfs/dbraw/zinc/05/14/50/564051450.db2.gz BVDKBVOOPASGDF-NSHDSACASA-N 0 0 349.217 3.985 40 0 EHABRN Clc1cccc(Cc2cnc([C@H]3CCN(c4ncccn4)C3)o2)c1 ZINC000257283956 564054721 /nfs/dbraw/zinc/05/47/21/564054721.db2.gz PAQDSABFKNVWSG-AWEZNQCLSA-N 0 0 340.814 3.703 40 0 EHABRN O=C(c1ccccc1F)N1CCCC[C@H]1c1ncn2ccsc12 ZINC000257292413 564054875 /nfs/dbraw/zinc/05/48/75/564054875.db2.gz QLHRUIAHOISHTH-AWEZNQCLSA-N 0 0 329.400 3.902 40 0 EHABRN Cc1cnc(C2(C)CCN(C(=O)c3noc4c3CCCC4)CC2)s1 ZINC000257302514 564055069 /nfs/dbraw/zinc/05/50/69/564055069.db2.gz SDEMKFRFCJLKJT-UHFFFAOYSA-N 0 0 345.468 3.512 40 0 EHABRN Cc1ccccc1C(=O)N1CCCC[C@H]1c1nnc(-c2ccncc2)o1 ZINC000257330664 564055557 /nfs/dbraw/zinc/05/55/57/564055557.db2.gz XPJRZGAZQMDBNO-KRWDZBQOSA-N 0 0 348.406 3.807 40 0 EHABRN Cc1cn(C)c([C@H]2CCCN2C(=O)Cc2ccc3ccccc3c2)n1 ZINC000257340139 564055771 /nfs/dbraw/zinc/05/57/71/564055771.db2.gz ZESXHEWMYXDQOL-LJQANCHMSA-N 0 0 333.435 3.788 40 0 EHABRN Cc1cccc(-c2cnc3n2CCN(C(=O)Cc2ccccc2C)C3)c1 ZINC000306135902 564062251 /nfs/dbraw/zinc/06/22/51/564062251.db2.gz PECCMOXBLJAVJO-UHFFFAOYSA-N 0 0 345.446 3.752 40 0 EHABRN COc1ccc(-c2cnc3n2CCN(C(=O)c2cccc(C)c2)C3)cc1 ZINC000306144832 564062395 /nfs/dbraw/zinc/06/23/95/564062395.db2.gz ZPUBKHHSSOSRSV-UHFFFAOYSA-N 0 0 347.418 3.523 40 0 EHABRN COc1ccc(Br)cc1C(=O)Nc1ccc(C)cc1N ZINC000070462865 564063701 /nfs/dbraw/zinc/06/37/01/564063701.db2.gz GMKNARGRMRLFKE-UHFFFAOYSA-N 0 0 335.201 3.601 40 0 EHABRN CC(=O)c1sc(NC(=O)CCCOc2ccccc2C)nc1C ZINC000001903823 564065581 /nfs/dbraw/zinc/06/55/81/564065581.db2.gz XRGSBYHDGPHLGW-UHFFFAOYSA-N 0 0 332.425 3.760 40 0 EHABRN COc1ccc(-n2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 ZINC000002755953 564065681 /nfs/dbraw/zinc/06/56/81/564065681.db2.gz CGPNJSRDXFPZAE-LLVKDONJSA-N 0 0 340.448 3.889 40 0 EHABRN CC[C@@H](C)c1ccc([C@H](CC)NC(=O)c2nc3ncccn3n2)cc1 ZINC000002808234 564065771 /nfs/dbraw/zinc/06/57/71/564065771.db2.gz PSVOWIMFUABBDX-CJNGLKHVSA-N 0 0 337.427 3.519 40 0 EHABRN O=Cc1ccc(OCc2ccccc2)c(I)c1 ZINC000005773715 564066202 /nfs/dbraw/zinc/06/62/02/564066202.db2.gz LFBVGTWHSFEHHA-UHFFFAOYSA-N 0 0 338.144 3.683 40 0 EHABRN CCOc1cc(C=O)cc(Br)c1OCc1cccnc1 ZINC000008702324 564066678 /nfs/dbraw/zinc/06/66/78/564066678.db2.gz XUAZOQWWMAPFIZ-UHFFFAOYSA-N 0 0 336.185 3.634 40 0 EHABRN COc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)ncn1)C2 ZINC000329023952 564071654 /nfs/dbraw/zinc/07/16/54/564071654.db2.gz OWYDVYPGKJSFGW-UHFFFAOYSA-N 0 0 346.434 3.660 40 0 EHABRN CC1(C)Cc2ccccc2CN1c1cc(C2CC2)nc(NC2CC2)n1 ZINC000329041294 564071837 /nfs/dbraw/zinc/07/18/37/564071837.db2.gz SHTVVNIZKYDXDI-UHFFFAOYSA-N 0 0 334.467 3.692 40 0 EHABRN CC(C)Nc1cc(N2CCc3ccc(Br)cc3C2)ncn1 ZINC000329053362 564071956 /nfs/dbraw/zinc/07/19/56/564071956.db2.gz VGARHMGGTKMFRR-UHFFFAOYSA-N 0 0 347.260 3.622 40 0 EHABRN Clc1cccc(CNc2cc(Cl)nc(-c3cccnc3)n2)c1 ZINC000329071562 564072174 /nfs/dbraw/zinc/07/21/74/564072174.db2.gz ZQWOKNFADDHYBO-UHFFFAOYSA-N 0 0 331.206 3.879 40 0 EHABRN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000000582874 564078370 /nfs/dbraw/zinc/07/83/70/564078370.db2.gz VCODMPMKYCKFCO-UHFFFAOYSA-N 0 0 347.436 3.589 40 0 EHABRN CCOC(=O)C1=C/C(=C/c2ccccc2)C(=O)N(C)[C@H]1c1ccccc1 ZINC000001751797 564099117 /nfs/dbraw/zinc/09/91/17/564099117.db2.gz SJLMIOUFVLFDBN-BXWQOUMASA-N 0 0 347.414 3.773 40 0 EHABRN O=c1[nH]c(Br)ccc1-c1ccc(Br)cc1 ZINC000002570560 564116912 /nfs/dbraw/zinc/11/69/12/564116912.db2.gz MGMRCGFKUDAYMR-UHFFFAOYSA-N 0 0 328.991 3.567 40 0 EHABRN Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1cc(C)ccn1 ZINC000006969462 564126522 /nfs/dbraw/zinc/12/65/22/564126522.db2.gz MWZNQUJOBACBAE-PDGQHHTCSA-N 0 0 348.450 3.763 40 0 EHABRN CCc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccc(OC)cc1 ZINC000008080603 564127044 /nfs/dbraw/zinc/12/70/44/564127044.db2.gz WJLBQAVJJRGABT-HNENSFHCSA-N 0 0 342.420 3.659 40 0 EHABRN COc1ccccc1O[C@@H](C)C(=O)NCCSc1ccc(C)cc1 ZINC000008558660 564127525 /nfs/dbraw/zinc/12/75/25/564127525.db2.gz MZFAJVIUPMSWEG-HNNXBMFYSA-N 0 0 345.464 3.679 40 0 EHABRN CCCCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000009063710 564127625 /nfs/dbraw/zinc/12/76/25/564127625.db2.gz SJUJUKSCUSISCB-UHFFFAOYSA-N 0 0 340.870 3.998 40 0 EHABRN CCCC(=O)Nc1nc(-c2cnn(C)c2-c2ccccc2)cs1 ZINC000019697063 564128045 /nfs/dbraw/zinc/12/80/45/564128045.db2.gz GESWXLKNMHAUSV-UHFFFAOYSA-N 0 0 326.425 3.949 40 0 EHABRN CC[C@H](C)Oc1c(Cl)cc(C=C2SC(=O)NC2=O)cc1OC ZINC000033914537 564128437 /nfs/dbraw/zinc/12/84/37/564128437.db2.gz RZWDGJDUXSRLDG-OTIXFSKASA-N 0 0 341.816 3.850 40 0 EHABRN CC(C)(C)OC(=O)N1CCC(c2nc(-c3cccs3)n[nH]2)CC1 ZINC000064875515 564134137 /nfs/dbraw/zinc/13/41/37/564134137.db2.gz UXDJXSQQJVXICU-UHFFFAOYSA-N 0 0 334.445 3.648 40 0 EHABRN Cc1sc(-c2ccccc2F)nc1C(=O)NCc1ccncc1 ZINC000011867531 564135031 /nfs/dbraw/zinc/13/50/31/564135031.db2.gz PGXCFPCBSIYHQJ-UHFFFAOYSA-N 0 0 327.384 3.583 40 0 EHABRN CCOc1ccc(NC(=O)N2C(=O)CSc3ccccc32)cc1 ZINC000028527209 564151188 /nfs/dbraw/zinc/15/11/88/564151188.db2.gz FCMQVDAFOVANCS-UHFFFAOYSA-N 0 0 328.393 3.756 40 0 EHABRN COc1cccc(/C=C2/SC(=O)N(CNc3ccccc3)C2=O)c1 ZINC000003132072 564155401 /nfs/dbraw/zinc/15/54/01/564155401.db2.gz VAGQDKHORYLPLK-LFIBNONCSA-N 0 0 340.404 3.801 40 0 EHABRN C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc2c(c1)CCC2=O ZINC000622765784 564177389 /nfs/dbraw/zinc/17/73/89/564177389.db2.gz OYOKCERMWGKYJD-AWEZNQCLSA-N 0 0 349.434 3.688 40 0 EHABRN CNc1cncc([C@H]2CCCN2C(=O)Cc2ccc3ccccc3c2)n1 ZINC000230566065 1127906063 /nfs/dbraw/zinc/90/60/63/1127906063.db2.gz QMCXFUHTRPERKN-LJQANCHMSA-N 0 0 346.434 3.578 40 0 EHABRN COc1ccc(N)cc1-c1ccc(C(=O)N(C)C2CCCCC2)o1 ZINC000226303717 1120325990 /nfs/dbraw/zinc/32/59/90/1120325990.db2.gz HTBAGICUCLVMMU-UHFFFAOYSA-N 0 0 328.412 3.942 40 0 EHABRN CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000223731094 1120651376 /nfs/dbraw/zinc/65/13/76/1120651376.db2.gz HUADWAZXLYEBLX-UHFFFAOYSA-N 0 0 335.444 3.944 40 0 EHABRN CCc1ccccc1N1C[C@@H](C(=O)Oc2ccccc2Cl)CC1=O ZINC000252021552 1124964243 /nfs/dbraw/zinc/96/42/43/1124964243.db2.gz YTEHRGXSNWVONE-AWEZNQCLSA-N 0 0 343.810 3.861 40 0 EHABRN Cc1cc(Nc2cc(C(F)(F)F)nc(NC(C)C)n2)ccc1F ZINC000329063331 1137889062 /nfs/dbraw/zinc/88/90/62/1137889062.db2.gz XCTBPZJNKYVIJY-UHFFFAOYSA-N 0 0 328.313 3.929 40 0 EHABRN COc1ccc(CN(C)C(=O)CCc2ccc(Cl)cc2)cc1OC ZINC000053663596 214192378 /nfs/dbraw/zinc/19/23/78/214192378.db2.gz ICGACTVBTKJHGX-UHFFFAOYSA-N 0 0 347.842 3.948 40 0 EHABRN CCOc1ccccc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000064762375 214803862 /nfs/dbraw/zinc/80/38/62/214803862.db2.gz ASDDYNDSRFLZTA-ZDUSSCGKSA-N 0 0 333.815 3.822 40 0 EHABRN Cc1ccc(C)c(N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000101276764 219120430 /nfs/dbraw/zinc/12/04/30/219120430.db2.gz RKBBPXQDWIBSFU-INIZCTEOSA-N 0 0 328.799 3.701 40 0 EHABRN CC(=O)C(C(C)=O)C(c1ccc2ccccc2c1)C(C(C)=O)C(C)=O ZINC000101403511 219126223 /nfs/dbraw/zinc/12/62/23/219126223.db2.gz DEWPQKQFJBQSHP-UHFFFAOYSA-N 0 0 338.403 3.512 40 0 EHABRN Fc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCCC2)cc1 ZINC000004190575 210142325 /nfs/dbraw/zinc/14/23/25/210142325.db2.gz ZARJHHCDMYLLLQ-KRWDZBQOSA-N 0 0 329.423 3.503 40 0 EHABRN Fc1ccc([C@H](c2nnnn2C2CCCC2)N2CCCCC2)cc1 ZINC000004190610 210142366 /nfs/dbraw/zinc/14/23/66/210142366.db2.gz SPWKYDUDUAOVHB-QGZVFWFLSA-N 0 0 329.423 3.503 40 0 EHABRN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004023075 210101765 /nfs/dbraw/zinc/10/17/65/210101765.db2.gz HSNVQLQKVPNOCK-PBEPXJRFSA-N 0 0 348.483 3.501 40 0 biogenic EHABRN COc1ccccc1N1C(=O)[C@H]2[C@H]3CCCC3=C3CCC[C@H]3[C@@H]2C1=O ZINC000103551966 219313375 /nfs/dbraw/zinc/31/33/75/219313375.db2.gz UPNRCAQBCOCIQE-QXGSTGNESA-N 0 0 337.419 3.711 40 0 EHABRN O=C(c1cccc(-c2nc3cc(Cl)ccc3o2)c1)N1CCOCC1 ZINC000041127548 213420518 /nfs/dbraw/zinc/42/05/18/213420518.db2.gz ZAWKGXDJBFWOKB-UHFFFAOYSA-N 0 0 342.782 3.621 40 0 EHABRN COc1ccc(Cc2cncc3cc(OC)c(OC)cc32)cc1OC ZINC000001704011 209784140 /nfs/dbraw/zinc/78/41/40/209784140.db2.gz MGDZAXIOQRQEIT-UHFFFAOYSA-N 0 0 339.391 3.860 40 0 EHABRN CC(C)(C)OC(=O)N1CC[C@@H](COc2c(F)cc(F)cc2F)C1 ZINC000039954461 213245289 /nfs/dbraw/zinc/24/52/89/213245289.db2.gz OZUBUOJWUKTKRT-SNVBAGLBSA-N 0 0 331.334 3.740 40 0 EHABRN CC1(C)C(=O)[C@@]2(C(=O)Nc3ccc(Br)cc3)CC[C@@H]1C2 ZINC000001448514 209750922 /nfs/dbraw/zinc/75/09/22/209750922.db2.gz QHKABSAFIANXBY-QLJPJBMISA-N 0 0 336.229 3.783 40 0 EHABRN CCc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000036666490 213108309 /nfs/dbraw/zinc/10/83/09/213108309.db2.gz POGDMQZFPLYQQG-OAHLLOKOSA-N 0 0 336.435 3.867 40 0 EHABRN CC(C)NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 ZINC000036182056 213076218 /nfs/dbraw/zinc/07/62/18/213076218.db2.gz OJTCSPHVFUBINB-UHFFFAOYSA-N 0 0 337.448 3.939 40 0 EHABRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Nc2ccccc2)cc1 ZINC000035709641 213047137 /nfs/dbraw/zinc/04/71/37/213047137.db2.gz NHYYYTRBRZJGAJ-SLDRDFCHSA-N 0 0 330.387 3.742 40 0 EHABRN CCC1=Nc2nc3ccccc3n2[C@@H](c2ccccc2)C1C(=O)OC ZINC000035315884 213021198 /nfs/dbraw/zinc/02/11/98/213021198.db2.gz ORFLSFQAZTVRED-SFHVURJKSA-N 0 0 333.391 3.888 40 0 EHABRN Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cccc(F)c2)cc1 ZINC000035289369 213018542 /nfs/dbraw/zinc/01/85/42/213018542.db2.gz OAWLBYSTYLGNMV-QGZVFWFLSA-N 0 0 341.386 3.769 40 0 EHABRN O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1cccc(F)c1 ZINC000000430373 209596468 /nfs/dbraw/zinc/59/64/68/209596468.db2.gz IPVJEAUXXSDZKI-NTEUORMPSA-N 0 0 346.155 3.933 40 0 EHABRN Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2C)cc1 ZINC000035289609 213018277 /nfs/dbraw/zinc/01/82/77/213018277.db2.gz GPUYPDJYRILUKI-SFHVURJKSA-N 0 0 337.423 3.938 40 0 EHABRN COC(=O)c1sccc1NC(=S)N(CC(C)C)CC(C)C ZINC000072265013 216087205 /nfs/dbraw/zinc/08/72/05/216087205.db2.gz RDPWVZLGUCWRAH-UHFFFAOYSA-N 0 0 328.503 3.846 40 0 EHABRN Cc1cccc(Oc2nccnc2[C@@H]2CCCN(C(=O)C3CC3)C2)c1 ZINC000072362025 216168803 /nfs/dbraw/zinc/16/88/03/216168803.db2.gz AHZYCHBWNGSWIO-MRXNPFEDSA-N 0 0 337.423 3.693 40 0 EHABRN COc1ccccc1/C=C1\N=C(c2cc(Cl)ccc2OC)OC1=O ZINC000000197229 209477779 /nfs/dbraw/zinc/47/77/79/209477779.db2.gz FIMUPOGCLYHWBZ-ZROIWOOFSA-N 0 0 343.766 3.702 40 0 EHABRN CCC(=O)N1CCCC[C@H]1c1nc(C)cc(Nc2nc(C)cs2)n1 ZINC000072383823 216184651 /nfs/dbraw/zinc/18/46/51/216184651.db2.gz NOCRJLRXQXNQIE-ZDUSSCGKSA-N 0 0 345.472 3.757 40 0 EHABRN CCn1cc(C(=O)Nc2ccccc2)c(=O)c2cc(Cl)ccc21 ZINC000000143611 209447951 /nfs/dbraw/zinc/44/79/51/209447951.db2.gz HKYVFQZELVDDGW-UHFFFAOYSA-N 0 0 326.783 3.927 40 0 EHABRN Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)c1 ZINC000000050157 209390704 /nfs/dbraw/zinc/39/07/04/209390704.db2.gz YHPIPFVAZNPUMG-GOSISDBHSA-N 0 0 338.407 3.735 40 0 EHABRN COc1ccc(NC(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000027920603 212585990 /nfs/dbraw/zinc/58/59/90/212585990.db2.gz WFLZIBPAURNEGO-UHFFFAOYSA-N 0 0 340.358 3.723 40 0 EHABRN CCOc1cc(CNC(=O)Cc2ccccc2Cl)ccc1OC ZINC000074627373 216504668 /nfs/dbraw/zinc/50/46/68/216504668.db2.gz UQRSRYQLLBIOGZ-UHFFFAOYSA-N 0 0 333.815 3.606 40 0 EHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1ccc(OC)cc1 ZINC000022517937 212303519 /nfs/dbraw/zinc/30/35/19/212303519.db2.gz NYDMLUKISWABHZ-SFHVURJKSA-N 0 0 331.387 3.650 40 0 EHABRN O=C(NCCc1ccccc1)c1cccnc1Nc1cccc(F)c1 ZINC000022072237 212275378 /nfs/dbraw/zinc/27/53/78/212275378.db2.gz FIDKIPBAEJQXMD-UHFFFAOYSA-N 0 0 335.382 3.937 40 0 EHABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000216286143 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ZINC000219205034 241369237 /nfs/dbraw/zinc/36/92/37/241369237.db2.gz KRFPPGQKASTOEJ-MRXNPFEDSA-N 0 0 336.435 3.921 40 0 EHABRN Cc1ccc(-c2noc(CNC(=O)Cc3cc(C)ccc3C)n2)cc1 ZINC000219277507 241375799 /nfs/dbraw/zinc/37/57/99/241375799.db2.gz NMBAQOBRDXJFAO-UHFFFAOYSA-N 0 0 335.407 3.521 40 0 EHABRN Cc1ccc(SCCNC(=O)CCc2ccc3c(c2)OCO3)cc1 ZINC000021973008 212267198 /nfs/dbraw/zinc/26/71/98/212267198.db2.gz FOSHKODBNDQWHP-UHFFFAOYSA-N 0 0 343.448 3.565 40 0 EHABRN Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccc(F)cc2)c(C)c1 ZINC000219526378 241393290 /nfs/dbraw/zinc/39/32/90/241393290.db2.gz AVUNMNAIOMMOGK-INIZCTEOSA-N 0 0 329.415 3.959 40 0 EHABRN COc1cccc(CCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 ZINC000219542305 241394737 /nfs/dbraw/zinc/39/47/37/241394737.db2.gz BVNVKXDDCLDFLO-QGZVFWFLSA-N 0 0 341.451 3.828 40 0 EHABRN CC[C@H](Oc1ccccc1OC)C(=O)NCCCc1ccc(C)cc1 ZINC000219559043 241395175 /nfs/dbraw/zinc/39/51/75/241395175.db2.gz WBMCMAHHHCWXIZ-SFHVURJKSA-N 0 0 341.451 3.910 40 0 EHABRN 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Cc1ccc(C)c(NC(=O)CSCC(=O)Nc2ccccc2F)c1 ZINC000000581449 564078337 /nfs/dbraw/zinc/07/83/37/564078337.db2.gz BAXQXDSVODIAEQ-UHFFFAOYSA-N 0 0 346.427 3.753 40 0 EHABRN O=S1(=O)CC[C@H](N(Cc2ccccc2)Cc2cccc(Cl)c2)C1 ZINC000053064891 564087182 /nfs/dbraw/zinc/08/71/82/564087182.db2.gz RDYFUWNWCLICAM-SFHVURJKSA-N 0 0 349.883 3.529 40 0 EHABRN O=C(NCc1nccc(N2CCCC2)n1)Nc1ccc2ccccc2c1 ZINC000224153073 564087652 /nfs/dbraw/zinc/08/76/52/564087652.db2.gz VMFDVFCSASPQOU-UHFFFAOYSA-N 0 0 347.422 3.552 40 0 EHABRN Nc1nc2c(cc(I)cc2C(F)(F)F)s1 ZINC000057327392 564087902 /nfs/dbraw/zinc/08/79/02/564087902.db2.gz VUYXNUCERONWOE-UHFFFAOYSA-N 0 0 344.099 3.502 40 0 EHABRN Brc1cccc(-c2nc3cc(-n4cnnc4)ccc3o2)c1 ZINC000045920381 564091020 /nfs/dbraw/zinc/09/10/20/564091020.db2.gz URINXUINKOWNGJ-UHFFFAOYSA-N 0 0 341.168 3.838 40 0 EHABRN CCc1cc(Br)c(OC)c(C(=O)NC2CCCC2)c1 ZINC000057339396 564091520 /nfs/dbraw/zinc/09/15/20/564091520.db2.gz LROFPBAVHJWHAP-UHFFFAOYSA-N 0 0 326.234 3.693 40 0 EHABRN COc1cccc2c1CCCCN2C(=O)c1cncc(OC(C)C)c1 ZINC000129096074 564116778 /nfs/dbraw/zinc/11/67/78/564116778.db2.gz JHGITBRFBFERFB-UHFFFAOYSA-N 0 0 340.423 3.861 40 0 EHABRN COc1ccc(CNc2cccc(Cl)c2N2CCOCC2)cc1 ZINC000226240542 564117177 /nfs/dbraw/zinc/11/71/77/564117177.db2.gz IUZABLMLBLVYKY-UHFFFAOYSA-N 0 0 332.831 3.797 40 0 EHABRN CCc1cccc(CC)c1N1C[C@H](C(=O)NC2CCCCC2)CC1=O ZINC000243669757 564120455 /nfs/dbraw/zinc/12/04/55/564120455.db2.gz PDGROZPNHDIDKO-QGZVFWFLSA-N 0 0 342.483 3.613 40 0 EHABRN C=CCOc1cccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000007893695 564126845 /nfs/dbraw/zinc/12/68/45/564126845.db2.gz SXUKCJAZYSTPNC-GZTJUZNOSA-N 0 0 342.311 3.514 40 0 EHABRN Cc1cccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1C ZINC000007929393 564126940 /nfs/dbraw/zinc/12/69/40/564126940.db2.gz RDSBEGFRAQRBGE-CQSZACIVSA-N 0 0 343.810 3.915 40 0 EHABRN COc1ccc(/C=C/C(=O)NCCSc2ccccc2)cc1OC ZINC000008361025 564127245 /nfs/dbraw/zinc/12/72/45/564127245.db2.gz WKUAOMXVYKEIRV-PKNBQFBNSA-N 0 0 343.448 3.626 40 0 EHABRN CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000043745294 564128493 /nfs/dbraw/zinc/12/84/93/564128493.db2.gz CGVNJNZHYZLEKR-CQSZACIVSA-N 0 0 342.826 3.894 40 0 EHABRN Ic1ccc(Oc2ccc3c(c2)CCC3)nc1 ZINC000685937790 564133372 /nfs/dbraw/zinc/13/33/72/564133372.db2.gz RQKGYKFJXHSEDI-UHFFFAOYSA-N 0 0 337.160 3.967 40 0 EHABRN O=C(N1CCCC1)C(F)(F)Sc1cccc(Br)c1 ZINC000256053163 564134740 /nfs/dbraw/zinc/13/47/40/564134740.db2.gz QHVBEJYSWXDILV-UHFFFAOYSA-N 0 0 336.201 3.756 40 0 EHABRN COc1ccc([C@H](N)c2nnc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1 ZINC000095533720 564141697 /nfs/dbraw/zinc/14/16/97/564141697.db2.gz TVRMGGHNFFJZHE-AWEZNQCLSA-N 0 0 348.328 3.547 40 0 EHABRN O=C1S/C(=C/c2ccccc2)C(=O)N1CNc1ccc(F)cc1 ZINC000003173976 564155650 /nfs/dbraw/zinc/15/56/50/564155650.db2.gz VWKMYYRLMAIJQJ-XNTDXEJSSA-N 0 0 328.368 3.932 40 0 EHABRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]12C ZINC000004044575 564160213 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CCN(CC)c1ccc(C(=O)O[C@H]2CCc3ccccc3C2=O)cc1 ZINC000054362848 214234310 /nfs/dbraw/zinc/23/43/10/214234310.db2.gz HKBSRMFUHGQIOJ-IBGZPJMESA-N 0 0 337.419 3.887 40 0 EHABRN Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccncc3)o2)cc1 ZINC000004619638 210232151 /nfs/dbraw/zinc/23/21/51/210232151.db2.gz MAMRJMOKMUFHOW-LBPRGKRZSA-N 0 0 325.393 3.804 40 0 EHABRN CCOc1ccc(-c2nc(N)cc(Nc3ccccc3OC)n2)cc1 ZINC000049468102 214010593 /nfs/dbraw/zinc/01/05/93/214010593.db2.gz HPUOFHWCBRLKQF-UHFFFAOYSA-N 0 0 336.395 3.877 40 0 EHABRN O=C(Nc1ccccn1)C1[C@@H]2CC[C@@H]3[C@H](CC[C@@H]12)C3(Cl)Cl ZINC000004182236 210141149 /nfs/dbraw/zinc/14/11/49/210141149.db2.gz ASFHTUNFFKMFSE-USYLUROPSA-N 0 0 325.239 3.876 40 0 EHABRN CCOC(=O)CC(=O)CSc1nc2ccc(OCC)cc2cc1C ZINC000004127549 210128072 /nfs/dbraw/zinc/12/80/72/210128072.db2.gz IXMDNAWVFNAWOQ-UHFFFAOYSA-N 0 0 347.436 3.556 40 0 EHABRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000003900028 210088195 /nfs/dbraw/zinc/08/81/95/210088195.db2.gz JXGYABLSUPRAQA-XQQFMLRXSA-N 0 0 349.452 3.811 40 0 EHABRN COc1cccc(CCCNC(=O)[C@H](C)Sc2ccccc2)c1 ZINC000066436557 215042374 /nfs/dbraw/zinc/04/23/74/215042374.db2.gz BTGMBLFKDSGZER-HNNXBMFYSA-N 0 0 329.465 3.925 40 0 EHABRN COC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000003559198 210054888 /nfs/dbraw/zinc/05/48/88/210054888.db2.gz ACJCELMUMUJOSR-UHFFFAOYSA-N 0 0 347.798 3.923 40 0 EHABRN Fc1ccccc1CN1CCOC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000067898640 215245143 /nfs/dbraw/zinc/24/51/43/215245143.db2.gz YNAOGKUTMBNHAP-IBGZPJMESA-N 0 0 337.398 3.789 40 0 biogenic,in-vitro EHABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@@H]1C=C[C@H]2[C@H]2C[C@H]21 ZINC000002269104 209835686 /nfs/dbraw/zinc/83/56/86/209835686.db2.gz SQIVJPSKVPIGBD-MCLULXAYSA-N 0 0 334.202 3.551 40 0 EHABRN O=C(Cc1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000068806398 215336293 /nfs/dbraw/zinc/33/62/93/215336293.db2.gz FVQHFVVCXHFYED-UHFFFAOYSA-N 0 0 349.261 3.885 40 0 EHABRN c1[nH]c2ccccc2c1Cc1nnc2n1N=C(c1ccccc1)CS2 ZINC000040393208 213296222 /nfs/dbraw/zinc/29/62/22/213296222.db2.gz VRRWBLDVXYFHBN-UHFFFAOYSA-N 0 0 345.431 3.708 40 0 EHABRN CCOC(=O)c1c(Nc2ccc(F)cc2)snc1N1CCCC1 ZINC000001645568 209774056 /nfs/dbraw/zinc/77/40/56/209774056.db2.gz BQSMNSPJNFTTNR-UHFFFAOYSA-N 0 0 335.404 3.803 40 0 EHABRN CCOc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 ZINC000038755523 213224819 /nfs/dbraw/zinc/22/48/19/213224819.db2.gz NJUACUAGZMTQHY-CYBMUJFWSA-N 0 0 333.815 3.822 40 0 EHABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCc1ccc(OC)cc1 ZINC000038754819 213224171 /nfs/dbraw/zinc/22/41/71/213224171.db2.gz SAUFJTPKZPYKJK-LJQANCHMSA-N 0 0 341.451 3.828 40 0 EHABRN COc1ccccc1-c1cc2nc(C)cc(-n3nc(C)cc3C)n2n1 ZINC000036631422 213105648 /nfs/dbraw/zinc/10/56/48/213105648.db2.gz KKVVANOVCHZNRC-UHFFFAOYSA-N 0 0 333.395 3.516 40 0 EHABRN CCn1ncc(-c2cc(C(F)F)nc(N3CCCCCC3)n2)c1C ZINC000036618549 213103519 /nfs/dbraw/zinc/10/35/19/213103519.db2.gz PRXLEEOCZDPOOA-UHFFFAOYSA-N 0 0 335.402 3.986 40 0 EHABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)Cn1cnc2ccccc21 ZINC000035023043 213005704 /nfs/dbraw/zinc/00/57/04/213005704.db2.gz INSVNFOTLBAHCA-TVKQPGBESA-N 0 0 330.472 3.875 40 0 EHABRN Cc1cccc(Cn2cc(C=C3NC(=S)NC3=O)c3ccccc32)c1 ZINC000032109292 212791531 /nfs/dbraw/zinc/79/15/31/212791531.db2.gz XCWBHQZJYVRNJR-LICLKQGHSA-N 0 0 347.443 3.755 40 0 EHABRN O=C(OCc1ccccc1F)C1CCN(Cc2ccccc2F)CC1 ZINC000072202911 216069670 /nfs/dbraw/zinc/06/96/70/216069670.db2.gz PGCLVXYMXCZCRX-UHFFFAOYSA-N 0 0 345.389 3.920 40 0 EHABRN CC(C)c1nccn1-c1cccc([C@H]2CCCN2c2ncccn2)n1 ZINC000072379208 216181439 /nfs/dbraw/zinc/18/14/39/216181439.db2.gz CFALJNHUHKWYDC-MRXNPFEDSA-N 0 0 334.427 3.522 40 0 EHABRN Fc1ccc(NCc2cc(-c3ccccc3)cn3nnnc23)cc1F ZINC000072392390 216191118 /nfs/dbraw/zinc/19/11/18/216191118.db2.gz LIIRHWCZRZEEDC-UHFFFAOYSA-N 0 0 337.333 3.682 40 0 EHABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1C ZINC000000044706 209387139 /nfs/dbraw/zinc/38/71/39/209387139.db2.gz JKLMYMSPJWBTDG-CQSZACIVSA-N 0 0 342.826 3.948 40 0 EHABRN Cc1ccccc1Cn1ccc(NC(=O)Cc2c[nH]c3ccccc23)n1 ZINC000027916182 212584808 /nfs/dbraw/zinc/58/48/08/212584808.db2.gz BFOHSFUXOAGDGP-UHFFFAOYSA-N 0 0 344.418 3.902 40 0 EHABRN CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000109052942 219942454 /nfs/dbraw/zinc/94/24/54/219942454.db2.gz WPSHVXQUMDNYBX-CYBMUJFWSA-N 0 0 332.473 3.503 40 0 EHABRN COc1ccc(Nc2nc3nccc(-c4ccccc4)c3c(=O)[nH]2)cc1 ZINC000022607584 212310410 /nfs/dbraw/zinc/31/04/10/212310410.db2.gz VNXLRXJPRDOATN-UHFFFAOYSA-N 0 0 344.374 3.737 40 0 EHABRN CCn1cc(C(=O)N[C@H](C)c2ccc(F)cc2)c(=O)c2ccccc21 ZINC000022606009 212309550 /nfs/dbraw/zinc/30/95/50/212309550.db2.gz KLSUSSIYHOWCIS-CYBMUJFWSA-N 0 0 338.382 3.652 40 0 EHABRN CCn1cc(C(=O)N2CCc3ccccc3C2)c(=O)c2cc(C)ccc21 ZINC000022234699 212284262 /nfs/dbraw/zinc/28/42/62/212284262.db2.gz WPDYRTKHYJXWEH-UHFFFAOYSA-N 0 0 346.430 3.528 40 0 EHABRN COc1ccc(CNC(=O)N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1OC ZINC000195529310 240978027 /nfs/dbraw/zinc/97/80/27/240978027.db2.gz PIUVEOAWYIYZBL-GZRFBZBPSA-N 0 0 346.471 3.718 40 0 EHABRN CCOC(=O)c1cn(Cc2ccccc2F)c2cc(F)ccc2c1=O ZINC000199805890 241040938 /nfs/dbraw/zinc/04/09/38/241040938.db2.gz FKTJFYDCPMPTFK-UHFFFAOYSA-N 0 0 343.329 3.505 40 0 EHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000216236728 241175721 /nfs/dbraw/zinc/17/57/21/241175721.db2.gz XXDMSNXWOYXDAV-SFHVURJKSA-N 0 0 327.380 3.694 40 0 EHABRN COc1cccc(O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c1 ZINC000216312948 241184624 /nfs/dbraw/zinc/18/46/24/241184624.db2.gz NNHMPANFNFVTAD-HOTGVXAUSA-N 0 0 327.424 3.600 40 0 EHABRN O=C(c1cc(Cl)c(Br)[nH]1)C(Cl)(Cl)Cl ZINC000217653461 241266329 /nfs/dbraw/zinc/26/63/29/241266329.db2.gz MGGYBPAJCAZQDF-UHFFFAOYSA-N 0 0 325.804 3.984 40 0 EHABRN Nc1nnc(-c2cccc(OCc3cccc(Br)c3)c2)o1 ZINC000216850390 241215688 /nfs/dbraw/zinc/21/56/88/241215688.db2.gz OUQDBLCGZIPQAN-UHFFFAOYSA-N 0 0 346.184 3.660 40 0 EHABRN CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000216892186 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40 0 EHABRN Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 ZINC000014396156 564022222 /nfs/dbraw/zinc/02/22/22/564022222.db2.gz ZISMSAVJGZCUEO-OAHLLOKOSA-N 0 0 347.455 3.951 40 0 EHABRN COc1ccc(O[C@H](C)C(=O)Nc2cccc(OC(C)C)c2)cc1 ZINC000014397532 564022280 /nfs/dbraw/zinc/02/22/80/564022280.db2.gz UFKCPEJJDMTARC-CQSZACIVSA-N 0 0 329.396 3.888 40 0 EHABRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1cccc(F)c1 ZINC000017071221 564024881 /nfs/dbraw/zinc/02/48/81/564024881.db2.gz GOOXOHKNHQHDRY-UHFFFAOYSA-N 0 0 340.379 3.811 40 0 EHABRN Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000096686165 564025133 /nfs/dbraw/zinc/02/51/33/564025133.db2.gz WVPSHHNKFRLRHL-AWEZNQCLSA-N 0 0 342.826 3.948 40 0 EHABRN CC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 ZINC000021596473 564033983 /nfs/dbraw/zinc/03/39/83/564033983.db2.gz VRENZOPCTMOAQS-UHFFFAOYSA-N 0 0 339.420 3.945 40 0 EHABRN COc1ccc(CCCNC(=O)Cc2ccc(C)c(C)c2)cc1OC ZINC000218808250 564034408 /nfs/dbraw/zinc/03/44/08/564034408.db2.gz XVWRIBXDPAOKSH-UHFFFAOYSA-N 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CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)Cn1cnc2ccccc21 ZINC000035023038 213005348 /nfs/dbraw/zinc/00/53/48/213005348.db2.gz INSVNFOTLBAHCA-WOCWXWTJSA-N 0 0 330.472 3.875 40 0 EHABRN Cc1ccnc(NC(=O)COc2c(C)cc(Br)cc2C)c1 ZINC000032647098 212822092 /nfs/dbraw/zinc/82/20/92/212822092.db2.gz AWTWUUWIJBZXLQ-UHFFFAOYSA-N 0 0 349.228 3.787 40 0 EHABRN COc1ccc(-c2cc(-c3cccc(F)c3)nc(N)n2)cc1OC ZINC000071978292 215986869 /nfs/dbraw/zinc/98/68/69/215986869.db2.gz OCVAJIAYUDJJFB-UHFFFAOYSA-N 0 0 325.343 3.549 40 0 EHABRN Nc1c(Cl)cc(-c2nc3cc(-n4cnnc4)ccc3o2)cc1Cl ZINC000030714922 212707450 /nfs/dbraw/zinc/70/74/50/212707450.db2.gz BRELKZQPMDXQJH-UHFFFAOYSA-N 0 0 346.177 3.965 40 0 EHABRN Fc1ccc2[nH]c3c(c2c1)CCN1[C@H](c2ccccn2)N2CCC31CC2 ZINC000072325818 216152394 /nfs/dbraw/zinc/15/23/94/216152394.db2.gz HIWFLZZSQGRSKU-HXUWFJFHSA-N 0 0 348.425 3.564 40 0 EHABRN COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3)n2)c1 ZINC000072322098 216149768 /nfs/dbraw/zinc/14/97/68/216149768.db2.gz 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216179785 /nfs/dbraw/zinc/17/97/85/216179785.db2.gz BVZPHVFYSNIVMC-INIZCTEOSA-N 0 0 348.454 3.631 40 0 EHABRN Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3ncc[nH]3)n2)s1 ZINC000072375530 216179983 /nfs/dbraw/zinc/17/99/83/216179983.db2.gz VYVVQCAOCOTZRU-CQSZACIVSA-N 0 0 340.456 3.650 40 0 EHABRN Cc1nc2c(c(Nc3nccs3)n1)CN(Cc1ccccc1)CC2 ZINC000072380813 216182810 /nfs/dbraw/zinc/18/28/10/216182810.db2.gz CBJWINSBCPNDBG-UHFFFAOYSA-N 0 0 337.452 3.543 40 0 EHABRN Cc1cc(Nc2nccs2)nc([C@@H]2CCCCN2C(=O)C(C)C)n1 ZINC000072383671 216184305 /nfs/dbraw/zinc/18/43/05/216184305.db2.gz PRYFUMGEBNPLFX-ZDUSSCGKSA-N 0 0 345.472 3.695 40 0 EHABRN CC(=O)N1CCCC[C@H]1c1nc(C)cc(Oc2ccccc2F)n1 ZINC000072383522 216184385 /nfs/dbraw/zinc/18/43/85/216184385.db2.gz BORWYBYYFGLPAL-HNNXBMFYSA-N 0 0 329.375 3.790 40 0 EHABRN CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nc2ccccc2n1C ZINC000028227250 212606165 /nfs/dbraw/zinc/60/61/65/212606165.db2.gz BTAWAXGAAHYHNJ-IBGZPJMESA-N 0 0 349.434 3.858 40 0 EHABRN 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Cc1ccc(N2C(=O)C[C@H](Nc3ccc4cc[nH]c4c3)C2=O)c(C)c1 ZINC000013577243 563702498 /nfs/dbraw/zinc/70/24/98/563702498.db2.gz SPQUZIPVRIPOOA-KRWDZBQOSA-N 0 0 333.391 3.529 40 0 EHABRN CC1(C)CC(=O)c2c[nH]c3nn(-c4cccc(Cl)c4)c(=O)c-3c2C1 ZINC000013611300 563703642 /nfs/dbraw/zinc/70/36/42/563703642.db2.gz NJNSESBOVBUOMD-UHFFFAOYSA-N 0 0 341.798 3.522 40 0 EHABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000013668305 563708154 /nfs/dbraw/zinc/70/81/54/563708154.db2.gz UUXZUDGXDVRCAT-KUHUBIRLSA-N 0 0 325.408 3.830 40 0 EHABRN COc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1 ZINC000013671032 563709404 /nfs/dbraw/zinc/70/94/04/563709404.db2.gz KHJBZNVVSXWTCS-UHFFFAOYSA-N 0 0 327.424 3.845 40 0 EHABRN O=C(CSCc1ccc(Cl)cc1)NCCOc1ccccc1 ZINC000015378244 563783898 /nfs/dbraw/zinc/78/38/98/563783898.db2.gz LDOQUKMLYWJFDK-UHFFFAOYSA-N 0 0 335.856 3.768 40 0 EHABRN COc1ccc(SCC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000015519629 563786079 /nfs/dbraw/zinc/78/60/79/563786079.db2.gz GPZREXPTGNRINU-SFHVURJKSA-N 0 0 327.449 3.981 40 0 EHABRN O=C1c2cccc3cc(O)cc(c32)C(=O)N1c1cc(Cl)ccc1O ZINC000016431666 563811330 /nfs/dbraw/zinc/81/13/30/563811330.db2.gz RDEKCZNZEWBRBL-UHFFFAOYSA-N 0 0 339.734 3.705 40 0 EHABRN S=C(NCc1ccccc1Cl)Nc1ccc2c(c1)OCCO2 ZINC000017449674 563844399 /nfs/dbraw/zinc/84/43/99/563844399.db2.gz MIXAWCFKLQNZHT-UHFFFAOYSA-N 0 0 334.828 3.598 40 0 EHABRN CC[C@@H](NC(=O)COc1cccc(C)c1C)c1ccc(OC)cc1 ZINC000018131558 563848930 /nfs/dbraw/zinc/84/89/30/563848930.db2.gz VOCXDFKVZDJOKL-GOSISDBHSA-N 0 0 327.424 3.958 40 0 EHABRN COc1cc(NC(=O)c2cccs2)ccc1-c1ccc(CO)o1 ZINC000020139480 563858159 /nfs/dbraw/zinc/85/81/59/563858159.db2.gz AZLJYMOLTUZGQO-UHFFFAOYSA-N 0 0 329.377 3.761 40 0 EHABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000029046232 563904887 /nfs/dbraw/zinc/90/48/87/563904887.db2.gz KQAJRTLKKCLACZ-UHFFFAOYSA-N 0 0 325.817 3.766 40 0 EHABRN Cc1cccc(C(=O)Nc2cccc(Cl)c2N2CCN(C)CC2)c1 ZINC000030827666 563910815 /nfs/dbraw/zinc/91/08/15/563910815.db2.gz ZBHGMDOLANMDTM-UHFFFAOYSA-N 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