smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC1(c2nc(C3CCOCC3)no2)CCN(C(=O)c2cc(C)ccc2[O-])CC1 ZINC000436750383 559260853 /nfs/dbraw/zinc/26/08/53/559260853.db2.gz NOTYWEXHXOYZLW-UHFFFAOYSA-N -1 3 401.463 2.756 20 0 HFADHM Cc1nc(C)c(CCC(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c(=O)[n-]1 ZINC000328607153 569418961 /nfs/dbraw/zinc/41/89/61/569418961.db2.gz UWEWIJKPIYMRHX-OPAMFIHVSA-N -1 3 411.506 2.647 20 0 HFADHM O=C([O-])[C@]1(NC(=O)c2cc3ccccc3c(=O)[nH]2)CCCN(Cc2ccccc2)C1 ZINC001123372758 939822645 /nfs/dbraw/zinc/82/26/45/939822645.db2.gz TWXGGVDFYUCCCS-QHCPKHFHSA-N -1 3 405.454 2.790 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)OC)c2F)c(C)cc1F ZINC000793434357 1078171829 /nfs/dbraw/zinc/17/18/29/1078171829.db2.gz YDYHUDUEZFNONA-UHFFFAOYSA-N -1 3 417.361 2.786 20 0 HFADHM O=C1[C@@H]([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)CCN1c1c(F)cccc1F ZINC000772835222 1078222528 /nfs/dbraw/zinc/22/25/28/1078222528.db2.gz MLZZJQMGCJGFMP-KRWDZBQOSA-N -1 3 420.437 2.813 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Br)ccc2F)ccc1F ZINC000752518572 1078344177 /nfs/dbraw/zinc/34/41/77/1078344177.db2.gz ZJWRSTGDWDHUER-UHFFFAOYSA-N -1 3 405.220 2.888 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)[n-]1 ZINC000793964834 1078348860 /nfs/dbraw/zinc/34/88/60/1078348860.db2.gz UOXOYNNZQVXYFO-OAHLLOKOSA-N -1 3 418.450 2.800 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)c[n-]1 ZINC000793964834 1078348865 /nfs/dbraw/zinc/34/88/65/1078348865.db2.gz UOXOYNNZQVXYFO-OAHLLOKOSA-N -1 3 418.450 2.800 20 0 HFADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCCN(C)c2ccccc2)cc1 ZINC000747174127 1078366435 /nfs/dbraw/zinc/36/64/35/1078366435.db2.gz ZSJHIHNWPBGJPG-UHFFFAOYSA-N -1 3 406.504 2.895 20 0 HFADHM C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000804666420 1078475396 /nfs/dbraw/zinc/47/53/96/1078475396.db2.gz LFYTUWWQODRCPQ-GJZGRUSLSA-N -1 3 404.463 2.984 20 0 HFADHM CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129610340 1078580778 /nfs/dbraw/zinc/58/07/78/1078580778.db2.gz JHGWBXFNJJXXAF-QGZVFWFLSA-N -1 3 424.436 2.648 20 0 HFADHM CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129610340 1078580783 /nfs/dbraw/zinc/58/07/83/1078580783.db2.gz JHGWBXFNJJXXAF-QGZVFWFLSA-N -1 3 424.436 2.648 20 0 HFADHM CCc1ccc(C(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c([O-])c1 ZINC000804763125 1078616470 /nfs/dbraw/zinc/61/64/70/1078616470.db2.gz HAYQOMSKLONLJJ-KRWDZBQOSA-N -1 3 403.523 2.722 20 0 HFADHM CCc1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)OC)c([O-])c1 ZINC000804888944 1078748172 /nfs/dbraw/zinc/74/81/72/1078748172.db2.gz YVUJXHVCCCLEKH-MRXNPFEDSA-N -1 3 406.479 2.579 20 0 HFADHM C[C@H]1CCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000804903353 1078758493 /nfs/dbraw/zinc/75/84/93/1078758493.db2.gz KPTIAEWFGUEPIS-JURCDPSOSA-N -1 3 420.501 2.838 20 0 HFADHM CCOC(=O)N1CCC([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000804939051 1078765648 /nfs/dbraw/zinc/76/56/48/1078765648.db2.gz CFRYDHBEFKQKKO-UHFFFAOYSA-N -1 3 414.377 2.624 20 0 HFADHM Cc1ccc(N2CC[C@H]([N-]S(=O)(=O)Cc3ccccc3Br)C2=O)cc1 ZINC000805016088 1078827631 /nfs/dbraw/zinc/82/76/31/1078827631.db2.gz XHBMHWJIBPMEHA-KRWDZBQOSA-N -1 3 423.332 2.982 20 0 HFADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)cs1 ZINC000804993175 1078845004 /nfs/dbraw/zinc/84/50/04/1078845004.db2.gz KSUGOQPPRMCDSZ-VIFPVBQESA-N -1 3 410.489 2.741 20 0 HFADHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)c1c(C)noc1C ZINC000805047938 1078861785 /nfs/dbraw/zinc/86/17/85/1078861785.db2.gz GUGOSSFUKILMSR-LLVKDONJSA-N -1 3 408.448 2.717 20 0 HFADHM Cc1nc2c(s1)[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)CCC2 ZINC000805058198 1078871809 /nfs/dbraw/zinc/87/18/09/1078871809.db2.gz NTCIUQOLJDNSJZ-NSHDSACASA-N -1 3 422.500 2.804 20 0 HFADHM CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CCC(F)(F)CC1 ZINC000805061025 1078873012 /nfs/dbraw/zinc/87/30/12/1078873012.db2.gz DFLYWILRMZJLFR-UHFFFAOYSA-N -1 3 403.419 2.929 20 0 HFADHM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000805052782 1078865656 /nfs/dbraw/zinc/86/56/56/1078865656.db2.gz QZEQHODEZLLAAI-ZFWWWQNUSA-N -1 3 418.277 2.778 20 0 HFADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805070202 1078879537 /nfs/dbraw/zinc/87/95/37/1078879537.db2.gz GYAALXTZTMXFLN-MFKMUULPSA-N -1 3 407.895 2.798 20 0 HFADHM Cc1cc(C)c(N2CC[C@@H]([N-]S(=O)(=O)c3cnc(Cl)c(F)c3)C2=O)c(C)c1 ZINC000805076200 1078908609 /nfs/dbraw/zinc/90/86/09/1078908609.db2.gz GCVPSEVREUHLJO-OAHLLOKOSA-N -1 3 411.886 2.883 20 0 HFADHM O=S(=O)([N-]C[C@@H]1CSCCN1Cc1ccccc1)c1cnc(Cl)c(F)c1 ZINC000805077847 1078909006 /nfs/dbraw/zinc/90/90/06/1078909006.db2.gz DSQIMEXARHRCMT-CQSZACIVSA-N -1 3 415.943 2.770 20 0 HFADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805080571 1078911285 /nfs/dbraw/zinc/91/12/85/1078911285.db2.gz LYUSWBHYYGASPX-ZWNOBZJWSA-N -1 3 407.895 2.798 20 0 HFADHM O=C(/C=C/c1ccccc1)NCCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000805091515 1078918446 /nfs/dbraw/zinc/91/84/46/1078918446.db2.gz JYDDNBVQNBQHOM-MDZDMXLPSA-N -1 3 413.421 2.598 20 0 HFADHM O=S(=O)([N-]C[C@@H](O)c1cccc(Br)c1)c1cnc(Cl)c(F)c1 ZINC000805093274 1078920218 /nfs/dbraw/zinc/92/02/18/1078920218.db2.gz ASSUPRAUHXWOGL-GFCCVEGCSA-N -1 3 409.664 2.649 20 0 HFADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](CCO)c1ccc(Cl)cc1 ZINC000805136157 1078934152 /nfs/dbraw/zinc/93/41/52/1078934152.db2.gz DYAPKJKZVZMWSY-GFCCVEGCSA-N -1 3 419.286 2.577 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2nccc(C(F)F)n2)c(C)c1Cl ZINC000805151757 1078946844 /nfs/dbraw/zinc/94/68/44/1078946844.db2.gz YTSQAXCNTYKHMX-UHFFFAOYSA-N -1 3 411.839 2.703 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCn3c(cc4ccccc43)C2)ccc1F ZINC000805321487 1079018458 /nfs/dbraw/zinc/01/84/58/1079018458.db2.gz ULLTUDLDMKIHDI-UHFFFAOYSA-N -1 3 401.463 2.735 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](C)Cn2cccn2)c(Cl)cc1Cl ZINC000747246285 1079103384 /nfs/dbraw/zinc/10/33/84/1079103384.db2.gz DMWVGIQIOHRXPS-SNVBAGLBSA-N -1 3 406.291 2.591 20 0 HFADHM C[C@@H](OC(=O)c1cnn[n-]1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000805610287 1079174167 /nfs/dbraw/zinc/17/41/67/1079174167.db2.gz YWCJGVXRNASRSJ-BDJLRTHQSA-N -1 3 413.821 2.974 20 0 HFADHM C[C@@H](OC(=O)c1c[n-]nn1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000805610287 1079174170 /nfs/dbraw/zinc/17/41/70/1079174170.db2.gz YWCJGVXRNASRSJ-BDJLRTHQSA-N -1 3 413.821 2.974 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2cn(C)nc2C)c(Cl)cc1Cl ZINC000747263347 1079228320 /nfs/dbraw/zinc/22/83/20/1079228320.db2.gz MGIIJNBKHOWJAD-SECBINFHSA-N -1 3 406.291 2.861 20 0 HFADHM Cc1cc(C)cc(OC[C@H](O)CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805785681 1079252153 /nfs/dbraw/zinc/25/21/53/1079252153.db2.gz LMVHIJPBEMWPKO-CUSZFKRNSA-N -1 3 402.457 2.821 20 0 HFADHM C[C@H]1CCN(CCC(=O)Nc2cc(N)ccc2F)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805787920 1079255670 /nfs/dbraw/zinc/25/56/70/1079255670.db2.gz CNBXIDNKENKNMR-MMPTUQATSA-N -1 3 404.408 2.514 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(Cl)cc1Cl ZINC000747276796 1079337814 /nfs/dbraw/zinc/33/78/14/1079337814.db2.gz GOGCKBPSLVFRHS-PCTYZZJISA-N -1 3 408.303 2.872 20 0 HFADHM CCC(CC)([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)OC ZINC000747280752 1079350763 /nfs/dbraw/zinc/35/07/63/1079350763.db2.gz BUQYHPBKKOTUNO-UHFFFAOYSA-N -1 3 412.291 2.790 20 0 HFADHM COc1ccc(CCS(=O)(=O)[N-]C(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000805923117 1079355136 /nfs/dbraw/zinc/35/51/36/1079355136.db2.gz AYPPTIXTECSQGO-UHFFFAOYSA-N -1 3 402.516 2.593 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(F)c(F)c2)ccc1F ZINC000787336259 1076782428 /nfs/dbraw/zinc/78/24/28/1076782428.db2.gz QOYKHZKHSYLJMZ-UHFFFAOYSA-N -1 3 400.422 2.763 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)nc2C(F)(F)F)c(C)o1 ZINC000787733653 1076934841 /nfs/dbraw/zinc/93/48/41/1076934841.db2.gz HQBBEYHWZPOPAW-UHFFFAOYSA-N -1 3 412.773 2.920 20 0 HFADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000787846017 1076962933 /nfs/dbraw/zinc/96/29/33/1076962933.db2.gz SOXSCXXZEVWLFM-GDBMZVCRSA-N -1 3 417.433 2.742 20 0 HFADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC3OCCCO3)c2)cc1 ZINC000787961091 1077010119 /nfs/dbraw/zinc/01/01/19/1077010119.db2.gz UOMOJZSUCJLPSJ-UHFFFAOYSA-N -1 3 404.488 2.597 20 0 HFADHM O=C(CCc1nc(-c2cc(Br)cs2)no1)[N-]OC[C@@H]1CCOC1 ZINC000788124571 1077060100 /nfs/dbraw/zinc/06/01/00/1077060100.db2.gz ZZKYRSREJRMLNN-SECBINFHSA-N -1 3 402.270 2.578 20 0 HFADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NOC[C@@H]3CCOC3)c2)cc1 ZINC000788124339 1077060264 /nfs/dbraw/zinc/06/02/64/1077060264.db2.gz XHUBUUSGIPGACO-MRXNPFEDSA-N -1 3 404.488 2.802 20 0 HFADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2c(C)ccnc2Cl)c(OC)c1 ZINC000788204404 1077078913 /nfs/dbraw/zinc/07/89/13/1077078913.db2.gz CAYXGTDQZUUKHT-UHFFFAOYSA-N -1 3 419.912 2.614 20 0 HFADHM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2Cl)c(OC)c1 ZINC000788204404 1077078920 /nfs/dbraw/zinc/07/89/20/1077078920.db2.gz CAYXGTDQZUUKHT-UHFFFAOYSA-N -1 3 419.912 2.614 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=S)NCc3cccs3)c2)[n-]1 ZINC000788333844 1077105406 /nfs/dbraw/zinc/10/54/06/1077105406.db2.gz SPZMZICJDDQYRC-UHFFFAOYSA-N -1 3 401.517 2.874 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=S)NCc3cccs3)c2)n[n-]1 ZINC000788333844 1077105414 /nfs/dbraw/zinc/10/54/14/1077105414.db2.gz SPZMZICJDDQYRC-UHFFFAOYSA-N -1 3 401.517 2.874 20 0 HFADHM CC1(C)NC(=O)N(c2cccc([N-]S(=O)(=O)C3=Cc4ccccc4OC3)c2)C1=O ZINC000788504547 1077184833 /nfs/dbraw/zinc/18/48/33/1077184833.db2.gz PKDDWHLRDIRKHN-UHFFFAOYSA-N -1 3 413.455 2.697 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2COc3ccccc3C2)c(C)c1Cl ZINC000788597737 1077218141 /nfs/dbraw/zinc/21/81/41/1077218141.db2.gz WFNWOYXNSUPJPF-LLVKDONJSA-N -1 3 401.893 2.779 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)COCC(F)(F)F)c(C)c1Cl ZINC000788608225 1077222183 /nfs/dbraw/zinc/22/21/83/1077222183.db2.gz OTKRNXJTDITQQJ-ZCFIWIBFSA-N -1 3 409.835 2.742 20 0 HFADHM CCCCC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)OC ZINC000788643529 1077222874 /nfs/dbraw/zinc/22/28/74/1077222874.db2.gz GICANOZVMXARIZ-SNVBAGLBSA-N -1 3 411.929 2.897 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CC(=O)N(C)C2CCCCC2)c(C)c1Cl ZINC000788645204 1077223088 /nfs/dbraw/zinc/22/30/88/1077223088.db2.gz HHAGJBQNKBVLLW-UHFFFAOYSA-N -1 3 422.956 2.566 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](O)c2ccc(F)cc2)c(C)c1Cl ZINC000788626669 1077235094 /nfs/dbraw/zinc/23/50/94/1077235094.db2.gz OGKZXPSCPGTLMO-NSHDSACASA-N -1 3 407.872 2.648 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@](C)(O)c2cc(C)oc2C)c(C)c1Cl ZINC000788635166 1077239594 /nfs/dbraw/zinc/23/95/94/1077239594.db2.gz PTPMOPAWEZPZML-INIZCTEOSA-N -1 3 421.924 2.892 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CO)Cc2cccc(C)c2)c(C)c1Cl ZINC000788678101 1077246985 /nfs/dbraw/zinc/24/69/85/1077246985.db2.gz LCJXZWZMJWNPDM-ZDUSSCGKSA-N -1 3 417.936 2.687 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)c(C)c1Cl ZINC000788679372 1077247604 /nfs/dbraw/zinc/24/76/04/1077247604.db2.gz GPJZUDNTBIBEPI-LBPRGKRZSA-N -1 3 406.957 2.792 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2Cc3cccc(O)c3C2)c(C)c1Cl ZINC000788683271 1077249309 /nfs/dbraw/zinc/24/93/09/1077249309.db2.gz PJXBCGJNGIUABC-SNVBAGLBSA-N -1 3 401.893 2.648 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(C)c1Cl ZINC000788654190 1077253556 /nfs/dbraw/zinc/25/35/56/1077253556.db2.gz LXOGHMCSQZVGNO-WQAKAFBOSA-N -1 3 405.925 2.732 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@]2(C)CCCC[C@H]2C(=O)OC)c(C)c1Cl ZINC000788659669 1077256740 /nfs/dbraw/zinc/25/67/40/1077256740.db2.gz HSMLECXBWLWLJH-QFYYESIMSA-N -1 3 423.940 2.897 20 0 HFADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000788659456 1077257194 /nfs/dbraw/zinc/25/71/94/1077257194.db2.gz SPHNABMYFCUIEA-IAGOWNOFSA-N -1 3 409.417 2.739 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H]2COC3(CCCCC3)O2)c(C)c1Cl ZINC000788661031 1077257395 /nfs/dbraw/zinc/25/73/95/1077257395.db2.gz HKLAAYYIYHJAQB-NSHDSACASA-N -1 3 423.940 2.851 20 0 HFADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000788707161 1077266111 /nfs/dbraw/zinc/26/61/11/1077266111.db2.gz IICXGHUKGLOXSM-HNNXBMFYSA-N -1 3 406.479 2.807 20 0 HFADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]Cc1cc(F)c(Cl)cc1F ZINC000788708511 1077267194 /nfs/dbraw/zinc/26/71/94/1077267194.db2.gz UTBSMRISCYUOKK-UHFFFAOYSA-N -1 3 411.213 2.932 20 0 HFADHM Cc1c([N-]S(=O)(=O)C2=Cc3ccccc3OC2)cccc1C(=O)N1CCOCC1 ZINC000788746272 1077288323 /nfs/dbraw/zinc/28/83/23/1077288323.db2.gz PHKLJAQHZNGBJC-UHFFFAOYSA-N -1 3 414.483 2.643 20 0 HFADHM CCOc1cc(O)ccc1NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000791144002 1077307090 /nfs/dbraw/zinc/30/70/90/1077307090.db2.gz SMHCIIRVATYVMM-LLVKDONJSA-N -1 3 413.883 2.535 20 0 HFADHM CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)c2nnc3ccccc3c2[O-])cn1 ZINC000791131635 1077314477 /nfs/dbraw/zinc/31/44/77/1077314477.db2.gz CXHRURXOAYRODN-FQEVSTJZSA-N -1 3 417.469 2.928 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CN2CCCCC2)c(Cl)cc1Cl ZINC000788920006 1077355978 /nfs/dbraw/zinc/35/59/78/1077355978.db2.gz MZIHUBXVPQFTPH-LLVKDONJSA-N -1 3 409.335 2.933 20 0 HFADHM CC[C@@]1(NC(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2[O-])CCOC1 ZINC000791418952 1077404468 /nfs/dbraw/zinc/40/44/68/1077404468.db2.gz ZAGNPBXWTUITGS-JOCHJYFZSA-N -1 3 414.458 2.961 20 0 HFADHM CS(=O)(=O)CC[C@@H](C(=O)OCc1noc(-c2ccccc2[O-])n1)c1ccccc1 ZINC000789115652 1077420073 /nfs/dbraw/zinc/42/00/73/1077420073.db2.gz RRDNTPYDCDZHIW-OAHLLOKOSA-N -1 3 416.455 2.704 20 0 HFADHM CS[C@H]1CCCCN(C(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)C1 ZINC000772732269 1077430474 /nfs/dbraw/zinc/43/04/74/1077430474.db2.gz DBELSCZWFLVNLX-OLZOCXBDSA-N -1 3 405.973 2.536 20 0 HFADHM Cc1cc(C)c(N2CC[C@H](N3CCN(C(=O)c4ccccc4[O-])CC3)C2=O)c(C)c1 ZINC000789348968 1077512225 /nfs/dbraw/zinc/51/22/25/1077512225.db2.gz XSAJJIWUVBKZFL-FQEVSTJZSA-N -1 3 407.514 2.881 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCCO[C@H]2CCCCO2)ccc1F ZINC000791689083 1077529135 /nfs/dbraw/zinc/52/91/35/1077529135.db2.gz GKTXTLBSJINPPU-INIZCTEOSA-N -1 3 403.472 2.603 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)OCCCN(CC(F)(F)F)C(C)C)ccc1F ZINC000791992802 1077640469 /nfs/dbraw/zinc/64/04/69/1077640469.db2.gz LSYIMXQGNGRVCE-UHFFFAOYSA-N -1 3 414.421 2.553 20 0 HFADHM COCCOC(=O)c1sc2[n-]c(CN3CCC[C@@H]3C3CCC3)nc(=O)c2c1C ZINC000772743373 1077739312 /nfs/dbraw/zinc/73/93/12/1077739312.db2.gz VBEFLJUQLCOJLJ-CQSZACIVSA-N -1 3 405.520 2.861 20 0 HFADHM CCn1c2ccc(S(=O)(=O)[N-]c3c(C)ccnc3Br)cc2oc1=O ZINC000789736550 1077772312 /nfs/dbraw/zinc/77/23/12/1077772312.db2.gz BVBXNUWOZNIRBH-UHFFFAOYSA-N -1 3 412.265 2.881 20 0 HFADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccnc3Br)cc2CC1 ZINC000789738206 1077772590 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O=C(COC(=O)c1cccc2nn[n-]c21)Nc1ccnn1Cc1ccccc1Cl ZINC000790073237 1077922695 /nfs/dbraw/zinc/92/26/95/1077922695.db2.gz HADNZIICSYUBJP-UHFFFAOYSA-N -1 3 410.821 2.652 20 0 HFADHM O=C(COC(=O)c1cccc2[n-]nnc21)Nc1ccnn1Cc1ccccc1Cl ZINC000790073237 1077922696 /nfs/dbraw/zinc/92/26/96/1077922696.db2.gz HADNZIICSYUBJP-UHFFFAOYSA-N -1 3 410.821 2.652 20 0 HFADHM O=C(COC(=O)c1cccc2n[n-]nc21)Nc1ccnn1Cc1ccccc1Cl ZINC000790073237 1077922698 /nfs/dbraw/zinc/92/26/98/1077922698.db2.gz HADNZIICSYUBJP-UHFFFAOYSA-N -1 3 410.821 2.652 20 0 HFADHM O=C(COC(=O)c1cccc2nn[n-]c21)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000790073280 1077922748 /nfs/dbraw/zinc/92/27/48/1077922748.db2.gz ICZYKVMANQJRSU-UHFFFAOYSA-N -1 3 402.414 2.817 20 0 HFADHM O=C(COC(=O)c1cccc2[n-]nnc21)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000790073280 1077922750 /nfs/dbraw/zinc/92/27/50/1077922750.db2.gz ICZYKVMANQJRSU-UHFFFAOYSA-N -1 3 402.414 2.817 20 0 HFADHM O=C(COC(=O)c1cccc2n[n-]nc21)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000790073280 1077922751 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O=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)NC12CCC(CC1)C2 ZINC000807454220 1080634248 /nfs/dbraw/zinc/63/42/48/1080634248.db2.gz MMMVGTPIYATUKF-UHFFFAOYSA-N -1 3 406.335 2.904 20 0 HFADHM C[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000747403014 1080767261 /nfs/dbraw/zinc/76/72/61/1080767261.db2.gz XGEPWTRCZHAQTK-HNNXBMFYSA-N -1 3 422.522 2.926 20 0 HFADHM COc1c(Br)cccc1CN[C@@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000426750798 1126087162 /nfs/dbraw/zinc/08/71/62/1126087162.db2.gz QHMXYGBDDGMBLN-NSHDSACASA-N -1 3 422.201 2.916 20 0 HFADHM O=C([O-])[C@@H](Cn1cc(Cl)cn1)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC001325678268 1126172813 /nfs/dbraw/zinc/17/28/13/1126172813.db2.gz BOOVMIMRGNHEHD-OAHLLOKOSA-N -1 3 424.686 2.728 20 0 HFADHM Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000328604611 569417749 /nfs/dbraw/zinc/41/77/49/569417749.db2.gz KJRFFLGDISBZSN-UWJYYQICSA-N -1 3 419.485 2.647 20 0 HFADHM O=C([O-])[C@H](NC(=O)NCCCCN1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000780438028 939121459 /nfs/dbraw/zinc/12/14/59/939121459.db2.gz HPJNJVMGJXNCBJ-JOCHJYFZSA-N -1 3 424.545 2.710 20 0 HFADHM CC(C)(CNC(=O)NC1(C(=O)[O-])Cc2ccccc2C1)N1CCc2ccccc2C1 ZINC001262173969 939826504 /nfs/dbraw/zinc/82/65/04/939826504.db2.gz AGGNGABILUXIAL-UHFFFAOYSA-N -1 3 407.514 2.745 20 0 HFADHM COC(=O)CCc1nnc([N-]C(=O)c2cnc(Br)c(Cl)c2)s1 ZINC000790532867 1078052579 /nfs/dbraw/zinc/05/25/79/1078052579.db2.gz FPAKWAQDXBHCPO-UHFFFAOYSA-N -1 3 405.661 2.707 20 0 HFADHM CCC(CC)[C@H](CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)OC ZINC000746920349 1078059840 /nfs/dbraw/zinc/05/98/40/1078059840.db2.gz PGZFYANIIQSJSH-KRWDZBQOSA-N -1 3 400.516 2.838 20 0 HFADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000772826911 1078074908 /nfs/dbraw/zinc/07/49/08/1078074908.db2.gz IHXWDCDIHZIKCR-UHFFFAOYSA-N -1 3 415.515 2.782 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCC3=O)c2)ccc1F ZINC000790619381 1078078134 /nfs/dbraw/zinc/07/81/34/1078078134.db2.gz 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CCOC(=O)c1nc(NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)c[n-]1 ZINC000793963274 1078348393 /nfs/dbraw/zinc/34/83/93/1078348393.db2.gz JDFVABSEXMTPFI-UHFFFAOYSA-N -1 3 400.313 2.950 20 0 HFADHM COc1ccccc1CN(OC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000794140720 1078377216 /nfs/dbraw/zinc/37/72/16/1078377216.db2.gz KDRBORXNUWAFAF-UHFFFAOYSA-N -1 3 410.467 2.725 20 0 HFADHM Cc1nc2sccn2c1CN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000747178289 1078384223 /nfs/dbraw/zinc/38/42/23/1078384223.db2.gz LCLUTMPYLDPWSV-UHFFFAOYSA-N -1 3 422.507 2.556 20 0 HFADHM COc1ccc([C@@H]2C[C@H]2NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000794152567 1078385208 /nfs/dbraw/zinc/38/52/08/1078385208.db2.gz UMRMRMQHGYFPKZ-VQTJNVASSA-N -1 3 404.470 2.754 20 0 HFADHM Cn1c2cc([O-])c(NC(=O)c3sccc3NC(=O)c3ccncc3)cc2n(C)c1=O ZINC000794216986 1078394525 /nfs/dbraw/zinc/39/45/25/1078394525.db2.gz AOPQDRJRHZGPAA-UHFFFAOYSA-N -1 3 423.454 2.544 20 0 HFADHM Cc1nc(C)c(CC(=O)N2CCCC[C@H]2COC(=O)N2CCC(C)CC2)c(=O)[n-]1 ZINC000804651830 1078480043 /nfs/dbraw/zinc/48/00/43/1078480043.db2.gz GDUYZCZXWOOJKI-KRWDZBQOSA-N -1 3 404.511 2.591 20 0 HFADHM O=C(NCC1(c2ccccn2)CCC1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000804698255 1078539496 /nfs/dbraw/zinc/53/94/96/1078539496.db2.gz VOIUAJPITSSFBW-UHFFFAOYSA-N -1 3 421.469 2.652 20 0 HFADHM COc1ccc(-c2cc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)nn2C)cc1OC ZINC001129612873 1078619544 /nfs/dbraw/zinc/61/95/44/1078619544.db2.gz LAKDSXFTJFDPBN-UHFFFAOYSA-N -1 3 423.408 2.676 20 0 HFADHM COc1ccc(-c2cc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)nn2C)cc1OC ZINC001129612873 1078619548 /nfs/dbraw/zinc/61/95/48/1078619548.db2.gz LAKDSXFTJFDPBN-UHFFFAOYSA-N -1 3 423.408 2.676 20 0 HFADHM O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000804637814 1078724356 /nfs/dbraw/zinc/72/43/56/1078724356.db2.gz MGFGFBDYEDPJMI-IAGOWNOFSA-N -1 3 408.470 2.750 20 0 HFADHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)c1nccn1C ZINC000804942908 1078768832 /nfs/dbraw/zinc/76/88/32/1078768832.db2.gz OSGVCEFHMSEJMC-HNNXBMFYSA-N -1 3 410.858 2.684 20 0 HFADHM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)CC1(C)OCCO1 ZINC000805014149 1078825686 /nfs/dbraw/zinc/82/56/86/1078825686.db2.gz RJPMTMWFRNQLFD-JTQLQIEISA-N -1 3 401.378 2.792 20 0 HFADHM Cc1csc(C2([N-]S(=O)(=O)c3nc(C)n(C)c3Br)CCC2)n1 ZINC000805019839 1078830460 /nfs/dbraw/zinc/83/04/60/1078830460.db2.gz JPLGFLSKDPNSAO-UHFFFAOYSA-N -1 3 405.343 2.614 20 0 HFADHM COCCCO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000805040095 1078857618 /nfs/dbraw/zinc/85/76/18/1078857618.db2.gz QDHHAQITLMANAN-CQSZACIVSA-N -1 3 413.312 2.694 20 0 HFADHM COCCCO[N-]C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000805045093 1078860980 /nfs/dbraw/zinc/86/09/80/1078860980.db2.gz LYXSFEQZKXPKHS-UHFFFAOYSA-N -1 3 411.252 2.921 20 0 HFADHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805080569 1078911355 /nfs/dbraw/zinc/91/13/55/1078911355.db2.gz LYUSWBHYYGASPX-GXFFZTMASA-N -1 3 407.895 2.798 20 0 HFADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805121703 1078904839 /nfs/dbraw/zinc/90/48/39/1078904839.db2.gz IDGVQSLYMSHIKB-AWEZNQCLSA-N -1 3 421.368 2.643 20 0 HFADHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000805081206 1078912136 /nfs/dbraw/zinc/91/21/36/1078912136.db2.gz RREZYQSTTFUXBG-WDEREUQCSA-N -1 3 407.895 2.940 20 0 HFADHM O=S(=O)([N-]C[C@H]1CSCCN1Cc1ccccc1)c1cnc(Cl)c(F)c1 ZINC000805077846 1078909079 /nfs/dbraw/zinc/90/90/79/1078909079.db2.gz DSQIMEXARHRCMT-AWEZNQCLSA-N -1 3 415.943 2.770 20 0 HFADHM O=C(COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(C(F)(F)F)cn1 ZINC000805397824 1079039895 /nfs/dbraw/zinc/03/98/95/1079039895.db2.gz ZMGAIEGJDBHPHG-HNNXBMFYSA-N -1 3 422.359 2.837 20 0 HFADHM C[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1nncn1C ZINC000805540839 1079130600 /nfs/dbraw/zinc/13/06/00/1079130600.db2.gz YSYYHVCYVBPTPN-LBPRGKRZSA-N -1 3 404.423 2.673 20 0 HFADHM COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3cnn[n-]3)c2C)cc1OC 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HNGCXYCDVGVMGY-UHFFFAOYSA-N -1 3 412.682 2.645 20 0 HFADHM Cc1ccc(C)c(OC[C@@H](O)CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805788553 1079254517 /nfs/dbraw/zinc/25/45/17/1079254517.db2.gz KAVUYKLSVWUQHB-OVWQWFNUSA-N -1 3 402.457 2.821 20 0 HFADHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000747268671 1079251624 /nfs/dbraw/zinc/25/16/24/1079251624.db2.gz VXEVYEWGQFJICC-LLVKDONJSA-N -1 3 409.335 2.933 20 0 HFADHM C[C@H]1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805787433 1079253972 /nfs/dbraw/zinc/25/39/72/1079253972.db2.gz POWAUPJEYPGGCL-UJHHCITNSA-N -1 3 403.489 2.945 20 0 HFADHM C[C@H]1CCN(CCC(=O)NC(=O)Nc2ccccc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788817 1079256448 /nfs/dbraw/zinc/25/64/48/1079256448.db2.gz VDNGUTUGUVBZBI-XEZPLFJOSA-N -1 3 414.428 2.502 20 0 HFADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCc3ccnn3C)c2)cc1 ZINC000747272061 1079284176 /nfs/dbraw/zinc/28/41/76/1079284176.db2.gz AWRGXOBRTXBMRJ-UHFFFAOYSA-N -1 3 415.471 2.895 20 0 HFADHM O=C([N-]S(=O)(=O)c1cncc(Br)c1)c1cccc(CN2CCCC2)c1 ZINC000805867630 1079310194 /nfs/dbraw/zinc/31/01/94/1079310194.db2.gz NBGMHVCBNUDEBX-UHFFFAOYSA-N -1 3 424.320 2.559 20 0 HFADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)O[C@@H]1CC(=O)N(C)[C@@H]1C ZINC000806066979 1079433203 /nfs/dbraw/zinc/43/32/03/1079433203.db2.gz CBQFEKKPPDPNCL-FZKQIMNGSA-N -1 3 420.462 2.711 20 0 HFADHM CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)Nc3n[n-]c(-c4ccco4)n3)n[nH]2)C1 ZINC000787308380 1076755863 /nfs/dbraw/zinc/75/58/63/1076755863.db2.gz BXYZQLMHMYUCDE-LLVKDONJSA-N -1 3 413.438 2.765 20 0 HFADHM Cc1ccccc1CN1CCCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000746686696 1076824272 /nfs/dbraw/zinc/82/42/72/1076824272.db2.gz LFBOIUAQZQBNBQ-UHFFFAOYSA-N -1 3 422.554 2.728 20 0 HFADHM C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1nnnn1C1CCCCC1 ZINC000787642034 1076893604 /nfs/dbraw/zinc/89/36/04/1076893604.db2.gz UZVANOABRXXQEA-RHSMWYFYSA-N -1 3 413.478 2.793 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](COC)c2ccc(Cl)cc2)ccc1F ZINC000787814867 1076952213 /nfs/dbraw/zinc/95/22/13/1076952213.db2.gz HETTXKIXVZNRBS-INIZCTEOSA-N -1 3 414.886 2.847 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2ccc(-c3ncn(C)n3)cc2)ccc1F ZINC000787990748 1077020268 /nfs/dbraw/zinc/02/02/68/1077020268.db2.gz WWXCMHPUKJQLQE-UHFFFAOYSA-N -1 3 418.450 2.527 20 0 HFADHM COCCCCS(=O)(=O)[N-]C[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000772711539 1077043131 /nfs/dbraw/zinc/04/31/31/1077043131.db2.gz OZLYDDPCTBTXIF-CYBMUJFWSA-N -1 3 423.375 2.801 20 0 HFADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCOCC(F)F ZINC000788078171 1077054080 /nfs/dbraw/zinc/05/40/80/1077054080.db2.gz RAEXJUJNMLHWLT-UHFFFAOYSA-N -1 3 408.648 2.671 20 0 HFADHM O=C([N-]OC[C@@H]1CCOC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000788116400 1077057978 /nfs/dbraw/zinc/05/79/78/1077057978.db2.gz ADPXFQSQBKOPNB-TZMCWYRMSA-N -1 3 401.290 2.930 20 0 HFADHM O=C([N-]OC[C@H]1CCOC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000788116394 1077058041 /nfs/dbraw/zinc/05/80/41/1077058041.db2.gz ADPXFQSQBKOPNB-GXTWGEPZSA-N -1 3 401.290 2.930 20 0 HFADHM COC(=O)c1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c(C)cc1C ZINC000788121564 1077059502 /nfs/dbraw/zinc/05/95/02/1077059502.db2.gz UCZPRUMJXRSTDY-UHFFFAOYSA-N -1 3 420.462 2.922 20 0 HFADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000788111840 1077065838 /nfs/dbraw/zinc/06/58/38/1077065838.db2.gz PFHIZONQZMGQHO-UHFFFAOYSA-N -1 3 409.798 2.740 20 0 HFADHM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(N4CCOC4=O)cc3)cccc21 ZINC000788490873 1077178866 /nfs/dbraw/zinc/17/88/66/1077178866.db2.gz LBTVIXXIHKUFRS-SFHVURJKSA-N -1 3 417.487 2.829 20 0 HFADHM COc1nnc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)[n-]1 ZINC000788523616 1077191190 /nfs/dbraw/zinc/19/11/90/1077191190.db2.gz QFICYQVCUYBUJD-LLVKDONJSA-N -1 3 410.862 2.765 20 0 HFADHM COc1nc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)n[n-]1 ZINC000788523616 1077191196 /nfs/dbraw/zinc/19/11/96/1077191196.db2.gz QFICYQVCUYBUJD-LLVKDONJSA-N -1 3 410.862 2.765 20 0 HFADHM COc1n[n-]c(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)n1 ZINC000788523616 1077191199 /nfs/dbraw/zinc/19/11/99/1077191199.db2.gz QFICYQVCUYBUJD-LLVKDONJSA-N -1 3 410.862 2.765 20 0 HFADHM CCOC(=O)C1CCC([N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 ZINC000788612342 1077207831 /nfs/dbraw/zinc/20/78/31/1077207831.db2.gz PBZRFLZURLRIJB-UHFFFAOYSA-N -1 3 423.940 2.897 20 0 HFADHM O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)[N-]OC[C@@H]1CCOC1 ZINC000788569237 1077208465 /nfs/dbraw/zinc/20/84/65/1077208465.db2.gz FYZMVODWQWKHGK-GFCCVEGCSA-N -1 3 423.560 2.983 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCOc2ccccc2F)c(C)c1Cl ZINC000788581684 1077212281 /nfs/dbraw/zinc/21/22/81/1077212281.db2.gz XMSLWGFKKWVSSY-UHFFFAOYSA-N -1 3 407.872 2.993 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCN(C)c2ccccc2)c(C)c1Cl ZINC000788591933 1077215557 /nfs/dbraw/zinc/21/55/57/1077215557.db2.gz MEMKECGOHQCMKG-UHFFFAOYSA-N -1 3 402.925 2.911 20 0 HFADHM COc1ccc(CCS(=O)(=O)[N-][C@@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000788645604 1077224061 /nfs/dbraw/zinc/22/40/61/1077224061.db2.gz PSTGZWMJRIXXCP-HNNXBMFYSA-N -1 3 401.488 2.892 20 0 HFADHM CC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)OC(C)(C)C ZINC000788652439 1077226199 /nfs/dbraw/zinc/22/61/99/1077226199.db2.gz JOAJTWHTVOKKTG-SECBINFHSA-N -1 3 411.929 2.895 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2OC)c(C)c1Cl ZINC000788629978 1077236377 /nfs/dbraw/zinc/23/63/77/1077236377.db2.gz GWJXJLWMZZFOFP-LLVKDONJSA-N -1 3 419.908 2.517 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CC[C@@H](O)c2ccccc2)c(C)c1Cl ZINC000788636582 1077241511 /nfs/dbraw/zinc/24/15/11/1077241511.db2.gz RPOMDMIVSOBJRW-GFCCVEGCSA-N -1 3 403.909 2.899 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CO)Cc2cccc(C)c2)c(C)c1Cl ZINC000788678098 1077246974 /nfs/dbraw/zinc/24/69/74/1077246974.db2.gz LCJXZWZMJWNPDM-CYBMUJFWSA-N -1 3 417.936 2.687 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@]2(C)CCCC[C@@H]2C(=O)OC)c(C)c1Cl ZINC000788659665 1077256792 /nfs/dbraw/zinc/25/67/92/1077256792.db2.gz HSMLECXBWLWLJH-HWPZZCPQSA-N -1 3 423.940 2.897 20 0 HFADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2CCCN(c3ccccc3)C2)c1F ZINC000788708603 1077267136 /nfs/dbraw/zinc/26/71/36/1077267136.db2.gz XOKZSJJBKAWSNO-AWEZNQCLSA-N -1 3 424.469 2.946 20 0 HFADHM CN(C)[C@H]1CCOc2c(NC(=O)Cn3c(=O)c4ccccc4[n-]c3=S)cccc21 ZINC000791039126 1077279506 /nfs/dbraw/zinc/27/95/06/1077279506.db2.gz MYBLCCXAWTVHDG-KRWDZBQOSA-N -1 3 410.499 2.709 20 0 HFADHM O=C(C[N-]S(=O)(=O)C1=Cc2ccccc2OC1)Nc1ccc(Br)cc1 ZINC000788886621 1077330349 /nfs/dbraw/zinc/33/03/49/1077330349.db2.gz PBIJAGAKCBTRIZ-UHFFFAOYSA-N -1 3 423.288 2.741 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCc2nnc3n2CCCCC3)ccc1F ZINC000788916931 1077354464 /nfs/dbraw/zinc/35/44/64/1077354464.db2.gz RWXPYFTXVRDHQK-UHFFFAOYSA-N -1 3 424.498 2.577 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@H]3CC[C@H](SC)C3)c2)[n-]1 ZINC000789043584 1077392603 /nfs/dbraw/zinc/39/26/03/1077392603.db2.gz GHHGAACLTYQGGP-GJZGRUSLSA-N -1 3 403.508 2.732 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@H]3CC[C@H](SC)C3)c2)n[n-]1 ZINC000789043584 1077392610 /nfs/dbraw/zinc/39/26/10/1077392610.db2.gz GHHGAACLTYQGGP-GJZGRUSLSA-N -1 3 403.508 2.732 20 0 HFADHM Nc1cc(COC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)ccn1 ZINC000792200513 1077743168 /nfs/dbraw/zinc/74/31/68/1077743168.db2.gz AGZLFLKDDXQAPA-UHFFFAOYSA-N -1 3 401.419 2.961 20 0 HFADHM COCCOC(=O)c1sc2[n-]c(CN3CCC[C@H]4CCC[C@@H]43)nc(=O)c2c1C ZINC000772792402 1077772154 /nfs/dbraw/zinc/77/21/54/1077772154.db2.gz BGKIAOZYHVBJBJ-KGLIPLIRSA-N -1 3 405.520 2.861 20 0 HFADHM CC(C)C[C@]1(CO)CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000789872969 1077831492 /nfs/dbraw/zinc/83/14/92/1077831492.db2.gz IDVZFIHWNIZASH-FQEVSTJZSA-N -1 3 414.543 2.916 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C(=O)OC(C)C)cc2)ccc1F ZINC000747081139 1077916883 /nfs/dbraw/zinc/91/68/83/1077916883.db2.gz PJVSPIREHSWVCO-UHFFFAOYSA-N -1 3 409.435 2.656 20 0 HFADHM O=C(Nc1c[nH]nn1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000790061921 1077935866 /nfs/dbraw/zinc/93/58/66/1077935866.db2.gz BUPRBIFMDIXZRT-UHFFFAOYSA-N -1 3 422.264 2.620 20 0 HFADHM O=C(NCc1ncccc1[O-])/C(=C/c1cccs1)n1nnnc1-c1ccccc1 ZINC000792613821 1077939229 /nfs/dbraw/zinc/93/92/29/1077939229.db2.gz STOMQWVOABJGOI-ATVHPVEESA-N -1 3 404.455 2.817 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3c(C)nn(CC)c3Cl)c2)[n-]1 ZINC000790156937 1077960940 /nfs/dbraw/zinc/96/09/40/1077960940.db2.gz BJOCBMZEDRZAQF-UHFFFAOYSA-N -1 3 416.869 2.757 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3c(C)nn(CC)c3Cl)c2)n[n-]1 ZINC000790156937 1077960943 /nfs/dbraw/zinc/96/09/43/1077960943.db2.gz BJOCBMZEDRZAQF-UHFFFAOYSA-N -1 3 416.869 2.757 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Cc3ccc(Cl)nc3C)c2)[n-]1 ZINC000790160622 1077962584 /nfs/dbraw/zinc/96/25/84/1077962584.db2.gz UIJZTVKTVHXNCZ-UHFFFAOYSA-N -1 3 413.865 2.864 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Cc3ccc(Cl)nc3C)c2)n[n-]1 ZINC000790160622 1077962585 /nfs/dbraw/zinc/96/25/85/1077962585.db2.gz UIJZTVKTVHXNCZ-UHFFFAOYSA-N -1 3 413.865 2.864 20 0 HFADHM O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ncccc1[O-])OCc1ccccc1 ZINC000792681545 1077965226 /nfs/dbraw/zinc/96/52/26/1077965226.db2.gz MJOJRMXRPFCSCB-LJQANCHMSA-N -1 3 405.454 2.941 20 0 HFADHM CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000790211515 1077971439 /nfs/dbraw/zinc/97/14/39/1077971439.db2.gz ZQHGKOPSSLOJRH-LJQANCHMSA-N -1 3 402.763 2.928 20 0 HFADHM COc1ccc(CC(=O)[N-]OCc2ccn(-c3ccc(F)cc3F)n2)cc1OC ZINC000792730721 1077989647 /nfs/dbraw/zinc/98/96/47/1077989647.db2.gz GBUIQLJIHVKERQ-UHFFFAOYSA-N -1 3 403.385 2.958 20 0 HFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)c1 ZINC000746891827 1077996082 /nfs/dbraw/zinc/99/60/82/1077996082.db2.gz KNLARTGRLFOWFR-LRDDRELGSA-N -1 3 421.494 2.841 20 0 HFADHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)n[nH]1 ZINC000792783164 1078000380 /nfs/dbraw/zinc/00/03/80/1078000380.db2.gz KQYSJLHSCSKJLY-VHSXEESVSA-N -1 3 400.888 2.798 20 0 HFADHM O=C1CN(c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)cc2)CCN1 ZINC000790475887 1078039908 /nfs/dbraw/zinc/03/99/08/1078039908.db2.gz VDKNXORRKVKLGB-UHFFFAOYSA-N -1 3 417.384 2.582 20 0 HFADHM Cn1[n-]cc2c(=NC(=O)N3CCN(Cc4cccc5ccccc54)CC3)ccnc1-2 ZINC000806481140 1079766915 /nfs/dbraw/zinc/76/69/15/1079766915.db2.gz JTLZQKUQRVPJJF-UHFFFAOYSA-N -1 3 400.486 2.845 20 0 HFADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)[C@@H]2CCCC23OCCO3)CC1 ZINC000806919180 1080088449 /nfs/dbraw/zinc/08/84/49/1080088449.db2.gz NXJFGHDCTDFKJF-HNNXBMFYSA-N -1 3 408.882 2.766 20 0 HFADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000807031070 1080225151 /nfs/dbraw/zinc/22/51/51/1080225151.db2.gz VHYWRJKRKSTDMN-WBMJQRKESA-N -1 3 420.437 2.833 20 0 HFADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc2)C[C@@H](C)O1 ZINC000747408013 1080811639 /nfs/dbraw/zinc/81/16/39/1080811639.db2.gz LIBPFPHCCOJXQD-ZIAGYGMSSA-N -1 3 401.488 2.596 20 0 HFADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2)C[C@@H](C)O1 ZINC000747408041 1080812480 /nfs/dbraw/zinc/81/24/80/1080812480.db2.gz MIZXFPWBAJDGAY-ZIAGYGMSSA-N -1 3 417.487 2.546 20 0 HFADHM Cn1c(CN[C@@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])nc2ccc(Cl)cc21 ZINC001321114081 1126171298 /nfs/dbraw/zinc/17/12/98/1126171298.db2.gz SCOSAFQRMMWEHE-KRWDZBQOSA-N -1 3 410.865 2.593 20 0 HFADHM O=C1CCCN1[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C[C@H]2CCCO[C@H]21 ZINC001164649825 719304531 /nfs/dbraw/zinc/30/45/31/719304531.db2.gz HMWZRDQRLRUNEA-UEKVPHQBSA-N -1 3 418.897 2.570 20 0 HFADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@@H]21 ZINC001164764419 721007444 /nfs/dbraw/zinc/00/74/44/721007444.db2.gz ZZWGHQIOPZAXMX-AVGNSLFASA-N -1 3 414.865 2.779 20 0 HFADHM COc1ccc2c(c1)C=C(C(=O)N[C@]1(C(=O)[O-])CCCN(Cc3ccccc3)C1)CO2 ZINC001123372895 939823103 /nfs/dbraw/zinc/82/31/03/939823103.db2.gz YKFAIPDXTFLKQK-XMMPIXPASA-N -1 3 422.481 2.707 20 0 HFADHM CC(=O)Nc1cc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)ccc1C ZINC001263628303 939829181 /nfs/dbraw/zinc/82/91/81/939829181.db2.gz PJGOMMKDFVFNRA-QHCPKHFHSA-N -1 3 409.486 2.803 20 0 HFADHM O=C(C[C@@H](O)c1ccc(Cl)cc1)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000772826311 1078058864 /nfs/dbraw/zinc/05/88/64/1078058864.db2.gz WTQZQZRPKBGTJD-GFCCVEGCSA-N -1 3 423.343 2.573 20 0 HFADHM CC(=O)N1CCCN(c2ccc(F)cc2NC=C2C(=O)[N-]C(=O)c3ccccc32)CC1 ZINC000790617803 1078077894 /nfs/dbraw/zinc/07/78/94/1078077894.db2.gz HNSYRBLZFNMJEJ-RGEXLXHISA-N -1 3 422.460 2.607 20 0 HFADHM O=C(NOCc1cccnc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000746945638 1078128790 /nfs/dbraw/zinc/12/87/90/1078128790.db2.gz ANMMKXUWWMMLAG-UHFFFAOYSA-N -1 3 401.419 2.883 20 0 HFADHM CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1n[n-]c(SCCO)n1 ZINC000790892392 1078173591 /nfs/dbraw/zinc/17/35/91/1078173591.db2.gz VTCDLJQRYQBIMX-UHFFFAOYSA-N -1 3 407.496 2.807 20 0 HFADHM CCn1ncc2ccc(NC(=O)c3ccc(F)c(S(=O)(=O)[N-]C4CC4)c3)cc21 ZINC000747126981 1078198863 /nfs/dbraw/zinc/19/88/63/1078198863.db2.gz QKHOOPBCXSRTCO-UHFFFAOYSA-N -1 3 402.451 2.888 20 0 HFADHM O=C(c1cc(S(=O)(=O)[N-]Cc2ccccn2)c(Cl)cc1Cl)N1CCC1 ZINC000747150944 1078321140 /nfs/dbraw/zinc/32/11/40/1078321140.db2.gz MHIYZGHABWAOJU-UHFFFAOYSA-N -1 3 400.287 2.713 20 0 HFADHM O=C(c1cc(S(=O)(=O)[N-]Cc2cccnc2)c(Cl)cc1Cl)N1CCC1 ZINC000747150533 1078322877 /nfs/dbraw/zinc/32/28/77/1078322877.db2.gz JLWLPZUEWRJMMK-UHFFFAOYSA-N -1 3 400.287 2.713 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@H]2CC[C@@H](c3ccc(C)o3)N2C(=O)OCC)[n-]1 ZINC000793960049 1078347939 /nfs/dbraw/zinc/34/79/39/1078347939.db2.gz NRUGIOQUDMPQKA-QWHCGFSZSA-N -1 3 404.423 2.789 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@H]2CC[C@@H](c3ccc(C)o3)N2C(=O)OCC)c[n-]1 ZINC000793960049 1078347941 /nfs/dbraw/zinc/34/79/41/1078347941.db2.gz NRUGIOQUDMPQKA-QWHCGFSZSA-N -1 3 404.423 2.789 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@@H]2CC(Br)=NN2c2ccc(C)cc2)[n-]1 ZINC000793963902 1078348664 /nfs/dbraw/zinc/34/86/64/1078348664.db2.gz NEKOITOCNBMREL-LBPRGKRZSA-N -1 3 420.267 2.821 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@@H]2CC(Br)=NN2c2ccc(C)cc2)c[n-]1 ZINC000793963902 1078348667 /nfs/dbraw/zinc/34/86/67/1078348667.db2.gz NEKOITOCNBMREL-LBPRGKRZSA-N -1 3 420.267 2.821 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)[n-]1 ZINC000793964820 1078348817 /nfs/dbraw/zinc/34/88/17/1078348817.db2.gz UOXOYNNZQVXYFO-HNNXBMFYSA-N -1 3 418.450 2.800 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)c[n-]1 ZINC000793964820 1078348820 /nfs/dbraw/zinc/34/88/20/1078348820.db2.gz UOXOYNNZQVXYFO-HNNXBMFYSA-N -1 3 418.450 2.800 20 0 HFADHM Cc1cc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)c(C(=O)NCC(F)(F)F)cc1F ZINC000793989602 1078357636 /nfs/dbraw/zinc/35/76/36/1078357636.db2.gz TWGHCUIABWPTDL-UHFFFAOYSA-N -1 3 414.359 2.720 20 0 HFADHM COC1(CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)CCC(C)CC1 ZINC000794024192 1078363308 /nfs/dbraw/zinc/36/33/08/1078363308.db2.gz JDEVXNCYZQGEAB-TXKKKEFDSA-N -1 3 417.959 2.503 20 0 HFADHM CSCCONC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000794190130 1078383248 /nfs/dbraw/zinc/38/32/48/1078383248.db2.gz RMYAXLNVCJJLJS-UHFFFAOYSA-N -1 3 415.364 2.952 20 0 HFADHM CSCCO[N-]C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000794194795 1078383707 /nfs/dbraw/zinc/38/37/07/1078383707.db2.gz GPUIMLJMVYPPIG-UHFFFAOYSA-N -1 3 400.566 2.595 20 0 HFADHM Cc1ccc([C@H](O)[C@H](C)NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000804476840 1078519026 /nfs/dbraw/zinc/51/90/26/1078519026.db2.gz PGGVPYDTULZZLP-HRAATJIYSA-N -1 3 406.486 2.620 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)ccc1F ZINC000804509391 1078544054 /nfs/dbraw/zinc/54/40/54/1078544054.db2.gz NUPNKBLBDPWNIY-HXUWFJFHSA-N -1 3 420.506 2.628 20 0 HFADHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001129885866 1078556933 /nfs/dbraw/zinc/55/69/33/1078556933.db2.gz NPHNCNKPNPVLBX-KRWDZBQOSA-N -1 3 405.376 2.798 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OCCCO)cc2)ccc1F ZINC000804758685 1078607154 /nfs/dbraw/zinc/60/71/54/1078607154.db2.gz LQCGXHPDUVAPQI-UHFFFAOYSA-N -1 3 424.494 2.916 20 0 HFADHM COC1(c2ccccc2)CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000804916153 1078737999 /nfs/dbraw/zinc/73/79/99/1078737999.db2.gz ZFUZDXBKZQKTTF-UHFFFAOYSA-N -1 3 420.506 2.900 20 0 HFADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CCc2ccc(Br)cc2F)s1 ZINC000804991579 1078795118 /nfs/dbraw/zinc/79/51/18/1078795118.db2.gz UWLKSDOWCKERRQ-UHFFFAOYSA-N -1 3 422.301 2.524 20 0 HFADHM O=S(=O)([N-]Cc1ccnc(-n2ccnc2)c1)c1c(F)cccc1OC(F)(F)F ZINC000804971145 1078808368 /nfs/dbraw/zinc/80/83/68/1078808368.db2.gz SALCTUONKBZMOT-UHFFFAOYSA-N -1 3 416.356 2.784 20 0 HFADHM O=C(C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)Nc1ccc(Br)cc1 ZINC000804980499 1078815902 /nfs/dbraw/zinc/81/59/02/1078815902.db2.gz HNPLINLAROWDIZ-UHFFFAOYSA-N -1 3 422.663 2.554 20 0 HFADHM CC(C)Oc1cccc([C@H](O)C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000805013163 1078823505 /nfs/dbraw/zinc/82/35/05/1078823505.db2.gz PXZVPJJBAMJSIA-CQSZACIVSA-N -1 3 404.410 2.900 20 0 HFADHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000805016562 1078827782 /nfs/dbraw/zinc/82/77/82/1078827782.db2.gz GIZZGLBZUUFZTG-SNVBAGLBSA-N -1 3 423.434 2.870 20 0 HFADHM COc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000805012586 1078856393 /nfs/dbraw/zinc/85/63/93/1078856393.db2.gz PXWHLPGBRWTVMO-GFCCVEGCSA-N -1 3 409.357 2.745 20 0 HFADHM COCCCO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000805038259 1078856762 /nfs/dbraw/zinc/85/67/62/1078856762.db2.gz YBENAQKLRGTDOD-CYBMUJFWSA-N -1 3 417.275 2.525 20 0 HFADHM O=S(=O)([N-][C@@H](CO)c1ccccc1OC(F)(F)F)c1cnc(Cl)c(F)c1 ZINC000805084783 1078914484 /nfs/dbraw/zinc/91/44/84/1078914484.db2.gz WLUYYKBWQZTMQE-NSHDSACASA-N -1 3 414.764 2.785 20 0 HFADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000805140101 1078936151 /nfs/dbraw/zinc/93/61/51/1078936151.db2.gz QSBJCROQWSIOKU-CQSZACIVSA-N -1 3 415.870 2.710 20 0 HFADHM O=C(COC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])c1ccc(C(F)(F)F)cn1 ZINC000805397826 1079039836 /nfs/dbraw/zinc/03/98/36/1079039836.db2.gz ZMGAIEGJDBHPHG-OAHLLOKOSA-N -1 3 422.359 2.837 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccnc2OC)c(Cl)cc1Cl ZINC000747240729 1079041580 /nfs/dbraw/zinc/04/15/80/1079041580.db2.gz UWXAKQIRVMENBS-UHFFFAOYSA-N -1 3 405.259 2.662 20 0 HFADHM CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)OC(=O)c1cnn[n-]1 ZINC000805605715 1079153474 /nfs/dbraw/zinc/15/34/74/1079153474.db2.gz NCGRXWPPRKDKFA-NSHDSACASA-N -1 3 414.443 2.894 20 0 HFADHM CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)OC(=O)c1c[n-]nn1 ZINC000805605715 1079153477 /nfs/dbraw/zinc/15/34/77/1079153477.db2.gz NCGRXWPPRKDKFA-NSHDSACASA-N -1 3 414.443 2.894 20 0 HFADHM Cc1c([O-])ccc2c(CN3C[C@H](C[C@H]4COCC(=O)N4)c4ccccc43)cc(=O)oc12 ZINC000805787177 1079254457 /nfs/dbraw/zinc/25/44/57/1079254457.db2.gz JAUFIXJQCXUNGA-RDJZCZTQSA-N -1 3 420.465 2.816 20 0 HFADHM C[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805789092 1079255867 /nfs/dbraw/zinc/25/58/67/1079255867.db2.gz YKQAPDMWOIRRFM-NUXNZHGMSA-N -1 3 413.440 2.685 20 0 HFADHM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCO2)C1CCN(Cc2ccccc2)CC1 ZINC000805907377 1079328545 /nfs/dbraw/zinc/32/85/45/1079328545.db2.gz SFKQFCRYJKDDHN-UHFFFAOYSA-N -1 3 414.527 2.729 20 0 HFADHM O=C([N-]S(=O)(=O)c1cc(C(=O)C2CC2)ccc1Cl)C1CCN(C2CC2)CC1 ZINC000805939175 1079343172 /nfs/dbraw/zinc/34/31/72/1079343172.db2.gz NJOLRXRCVKLACX-UHFFFAOYSA-N -1 3 410.923 2.612 20 0 HFADHM Cn1cc([C@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C(C)(C)C)cn1 ZINC000747305692 1079431467 /nfs/dbraw/zinc/43/14/67/1079431467.db2.gz AKARNDRCRHHWNF-KRWDZBQOSA-N -1 3 408.499 2.517 20 0 HFADHM O=C(NCc1cccc2cc[nH]c21)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000787367899 1076775610 /nfs/dbraw/zinc/77/56/10/1076775610.db2.gz SJBVVFAKLIKGQG-UHFFFAOYSA-N -1 3 405.426 2.817 20 0 HFADHM Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000787849549 1076963518 /nfs/dbraw/zinc/96/35/18/1076963518.db2.gz XBBOJDRHRMQAMD-UHFFFAOYSA-N -1 3 416.449 2.803 20 0 HFADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NOC[C@H]3CCOC3)ccc2C)cc1 ZINC000788116180 1077058089 /nfs/dbraw/zinc/05/80/89/1077058089.db2.gz NEEUTNVPDORDED-HNNXBMFYSA-N -1 3 420.487 2.502 20 0 HFADHM O=C(c1cc2sccc2c([O-])c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000788262576 1077088531 /nfs/dbraw/zinc/08/85/31/1077088531.db2.gz FTTWBKZFTFPDQS-UHFFFAOYSA-N -1 3 420.487 2.893 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3O2)c(C)c1Cl ZINC000788596132 1077217017 /nfs/dbraw/zinc/21/70/17/1077217017.db2.gz JMYIDNJFAFVMPP-NSHDSACASA-N -1 3 401.893 2.779 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2cccc(NC(C)=O)c2)c(C)c1Cl ZINC000788597823 1077217916 /nfs/dbraw/zinc/21/79/16/1077217916.db2.gz YWOXTRLJKMEVMK-UHFFFAOYSA-N -1 3 416.908 2.933 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CO)c2sccc2C)c(C)c1Cl ZINC000788646917 1077223982 /nfs/dbraw/zinc/22/39/82/1077223982.db2.gz OFIJZGKEUZMCNJ-VIFPVBQESA-N -1 3 409.938 2.878 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2ccc([S@](C)=O)cc2)c(C)c1Cl ZINC000788646552 1077224350 /nfs/dbraw/zinc/22/43/50/1077224350.db2.gz VGISCARNYWZVBC-DEOSSOPVSA-N -1 3 421.949 2.712 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C(=O)OC)C2CCCCC2)c(C)c1Cl ZINC000788650125 1077225253 /nfs/dbraw/zinc/22/52/53/1077225253.db2.gz NPYSFUPBJAYEMC-LBPRGKRZSA-N -1 3 423.940 2.897 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)C(=O)Nc2ccccc2)c(C)c1Cl ZINC000788625899 1077234440 /nfs/dbraw/zinc/23/44/40/1077234440.db2.gz JLVVSCUHNHPPHY-JTQLQIEISA-N -1 3 416.908 2.802 20 0 HFADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1cnc(Cl)c(Cl)c1 ZINC000790929547 1077236452 /nfs/dbraw/zinc/23/64/52/1077236452.db2.gz AVCCLFUHWABFIV-JTQLQIEISA-N -1 3 411.257 2.796 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2C)c(C)c1Cl ZINC000788634027 1077238983 /nfs/dbraw/zinc/23/89/83/1077238983.db2.gz IDJGMYDIMQTAMA-GFCCVEGCSA-N -1 3 403.909 2.817 20 0 HFADHM Cc1ccc(CN2CC[C@H]([N-]S(=O)(=O)c3cnc(Cl)c(Cl)c3)C2=O)cc1 ZINC000790936287 1077240234 /nfs/dbraw/zinc/24/02/34/1077240234.db2.gz PMDJXTWCJQYXLI-HNNXBMFYSA-N -1 3 414.314 2.776 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CO)c2ccccc2OC)c(C)c1Cl ZINC000788635481 1077240528 /nfs/dbraw/zinc/24/05/28/1077240528.db2.gz ZMEGWOVKGPYOKR-NSHDSACASA-N -1 3 419.908 2.517 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)C(=O)OC2CCCC2)c(C)c1Cl ZINC000788642496 1077244850 /nfs/dbraw/zinc/24/48/50/1077244850.db2.gz XCCBYICFMFNMAV-VIFPVBQESA-N -1 3 409.913 2.649 20 0 HFADHM Cc1cc(C)c(N2CC[C@H](OC(=O)c3ccc([N-]S(C)(=O)=O)cc3)C2=O)c(C)c1 ZINC000788690084 1077251820 /nfs/dbraw/zinc/25/18/20/1077251820.db2.gz HDTUSQHNBNTHEL-SFHVURJKSA-N -1 3 416.499 2.946 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCc2cnc(C3CC3)nc2)c(C)c1Cl ZINC000788658432 1077255396 /nfs/dbraw/zinc/25/53/96/1077255396.db2.gz AFQXCUKAEPVTKZ-UHFFFAOYSA-N -1 3 415.924 2.685 20 0 HFADHM C/C=C\C[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)OCC ZINC000788666887 1077260372 /nfs/dbraw/zinc/26/03/72/1077260372.db2.gz BMODOJQBOPGQDB-BXKUYDPTSA-N -1 3 409.913 2.673 20 0 HFADHM CS(=O)(=O)c1ccccc1N[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000788750917 1077276442 /nfs/dbraw/zinc/27/64/42/1077276442.db2.gz RZBTVNHMIVRQJE-UHFFFAOYSA-N -1 3 413.279 2.841 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](Oc3ccncc3)C2)ccc1F ZINC000788832794 1077314462 /nfs/dbraw/zinc/31/44/62/1077314462.db2.gz QBXQOVGNSJVLOT-MRXNPFEDSA-N -1 3 421.494 2.591 20 0 HFADHM CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc(NC(C)=O)ccc2[O-])cn1 ZINC000791133729 1077315469 /nfs/dbraw/zinc/31/54/69/1077315469.db2.gz PJXWTABTFDNZDJ-QFIPXVFZSA-N -1 3 422.485 2.943 20 0 HFADHM CCN1CCN(c2ccc(NC(=O)COC(=O)c3c(F)cc([O-])cc3F)cc2)CC1 ZINC000746985320 1077320635 /nfs/dbraw/zinc/32/06/35/1077320635.db2.gz HEUXZBDBLJNAIQ-UHFFFAOYSA-N -1 3 419.428 2.608 20 0 HFADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H](C)CN1CCCCC1 ZINC000788919414 1077355012 /nfs/dbraw/zinc/35/50/12/1077355012.db2.gz JVMRCERNLWWGLO-NSHDSACASA-N -1 3 409.321 2.750 20 0 HFADHM Cn1cc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c(-c2ccc(Cl)s2)n1 ZINC000789296728 1077503560 /nfs/dbraw/zinc/50/35/60/1077503560.db2.gz QUPWQJZSRPHPAX-UHFFFAOYSA-N -1 3 409.876 2.977 20 0 HFADHM C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OCCO[C@@H]2CCCCO2)c1Cl ZINC000791995188 1077640779 /nfs/dbraw/zinc/64/07/79/1077640779.db2.gz PVOFLCGJTAGWHT-GFCCVEGCSA-N -1 3 412.291 2.602 20 0 HFADHM CCN(Cc1ccccc1[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C(=O)OC(C)(C)C ZINC000789727298 1077761762 /nfs/dbraw/zinc/76/17/62/1077761762.db2.gz KUIDIFDUZIJZIV-AWEZNQCLSA-N -1 3 413.540 2.662 20 0 HFADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(c3cc(OC)ccc3OC)=NO2)c([O-])c1 ZINC000792275791 1077790011 /nfs/dbraw/zinc/79/00/11/1077790011.db2.gz KGNFEWMLEDDWQD-IBGZPJMESA-N -1 3 414.414 2.718 20 0 HFADHM Cc1cc(NC(=O)C(=O)[N-]OC2CCCCC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000792277339 1077792004 /nfs/dbraw/zinc/79/20/04/1077792004.db2.gz 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COC(=O)c1csc(-c2cccc(CN/C=C3\C(=O)[N-]C(=O)c4ccccc43)c2)n1 ZINC000790096615 1077947408 /nfs/dbraw/zinc/94/74/08/1077947408.db2.gz HRZUOTLGAMFYBV-BOPFTXTBSA-N -1 3 419.462 2.997 20 0 HFADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)c1OC ZINC000790140962 1077955337 /nfs/dbraw/zinc/95/53/37/1077955337.db2.gz WOTBOGWXUSMGPK-ZETCQYMHSA-N -1 3 402.683 2.607 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C(F)(F)c3ncccc3C)c2)[n-]1 ZINC000790159824 1077961902 /nfs/dbraw/zinc/96/19/02/1077961902.db2.gz LXYQCIBIPPHGAD-UHFFFAOYSA-N -1 3 415.400 2.760 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C(F)(F)c3ncccc3C)c2)n[n-]1 ZINC000790159824 1077961904 /nfs/dbraw/zinc/96/19/04/1077961904.db2.gz LXYQCIBIPPHGAD-UHFFFAOYSA-N -1 3 415.400 2.760 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C[C@H]3OC(=O)c4ccccc43)c2)[n-]1 ZINC000790159837 1077961920 /nfs/dbraw/zinc/96/19/20/1077961920.db2.gz MNZGCJFXOISDRR-QGZVFWFLSA-N -1 3 420.425 2.566 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C[C@H]3OC(=O)c4ccccc43)c2)n[n-]1 ZINC000790159837 1077961921 /nfs/dbraw/zinc/96/19/21/1077961921.db2.gz MNZGCJFXOISDRR-QGZVFWFLSA-N -1 3 420.425 2.566 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cccc(NC(=O)OC)c3)c2)[n-]1 ZINC000790159664 1077962291 /nfs/dbraw/zinc/96/22/91/1077962291.db2.gz JAKMFNUQLNUZNE-UHFFFAOYSA-N -1 3 423.429 2.757 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cccc(NC(=O)OC)c3)c2)n[n-]1 ZINC000790159664 1077962293 /nfs/dbraw/zinc/96/22/93/1077962293.db2.gz JAKMFNUQLNUZNE-UHFFFAOYSA-N -1 3 423.429 2.757 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CN(CC)c3ccccc3)c2)[n-]1 ZINC000790161413 1077963014 /nfs/dbraw/zinc/96/30/14/1077963014.db2.gz ZOVQVUWGYATCFK-UHFFFAOYSA-N -1 3 407.474 2.791 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CN(CC)c3ccccc3)c2)n[n-]1 ZINC000790161413 1077963015 /nfs/dbraw/zinc/96/30/15/1077963015.db2.gz ZOVQVUWGYATCFK-UHFFFAOYSA-N -1 3 407.474 2.791 20 0 HFADHM O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000792761585 1077988040 /nfs/dbraw/zinc/98/80/40/1077988040.db2.gz ZSMKWPBARQIHIW-AZUAARDMSA-N -1 3 402.516 2.582 20 0 HFADHM CCOC(=O)[C@H](Cc1cccc2ccccc21)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000792783519 1078000195 /nfs/dbraw/zinc/00/01/95/1078000195.db2.gz TXTCENCLQCAJLQ-UZLBHIALSA-N -1 3 405.516 2.660 20 0 HFADHM CC(C)[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H](O)c1ccccc1 ZINC000790372466 1078017445 /nfs/dbraw/zinc/01/74/45/1078017445.db2.gz QFBNKMUTUICGHJ-UXHICEINSA-N -1 3 420.506 2.754 20 0 HFADHM CC(C)(C)OC(=O)N[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000790448559 1078035059 /nfs/dbraw/zinc/03/50/59/1078035059.db2.gz RZNVSMFYSOTITA-PHIMTYICSA-N -1 3 423.304 2.922 20 0 HFADHM COc1ccc([C@@H](CN(C)C)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000790484369 1078042263 /nfs/dbraw/zinc/04/22/63/1078042263.db2.gz SJLXKPBEAMMZOO-CQSZACIVSA-N -1 3 404.319 2.978 20 0 HFADHM COC(OC)[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccccc1 ZINC001130572628 1079531280 /nfs/dbraw/zinc/53/12/80/1079531280.db2.gz MISUYZSGKZCSEJ-GOSISDBHSA-N -1 3 424.494 2.602 20 0 HFADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1nc(C)no1 ZINC000747324216 1079594187 /nfs/dbraw/zinc/59/41/87/1079594187.db2.gz NJDODZVFECWSMK-ZCFIWIBFSA-N -1 3 410.677 2.842 20 0 HFADHM Cc1occc1-c1cc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)n(CCO)n1 ZINC000806757176 1079975294 /nfs/dbraw/zinc/97/52/94/1079975294.db2.gz FQORZJWQFOEWCR-UHFFFAOYSA-N -1 3 414.368 2.816 20 0 HFADHM C[C@H]1CN(Cc2ccc(CNC(=O)CSc3n[n-]c(=S)s3)cc2)C[C@H](C)O1 ZINC000747360215 1080055446 /nfs/dbraw/zinc/05/54/46/1080055446.db2.gz QAJMOTMAJCIHBU-STQMWFEESA-N -1 3 424.617 2.845 20 0 HFADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3cccnc3F)c2)cc1 ZINC000806866887 1080068779 /nfs/dbraw/zinc/06/87/79/1080068779.db2.gz DYVVHWMKODYVNO-UHFFFAOYSA-N -1 3 415.446 2.960 20 0 HFADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000807031067 1080224711 /nfs/dbraw/zinc/22/47/11/1080224711.db2.gz VHYWRJKRKSTDMN-BLLLJJGKSA-N -1 3 420.437 2.833 20 0 HFADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C[C@H](C)O1 ZINC000747406714 1080800567 /nfs/dbraw/zinc/80/05/67/1080800567.db2.gz IKJPSZZUKHFTEI-GASCZTMLSA-N -1 3 404.488 2.872 20 0 HFADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)cc2)C[C@H](C)O1 ZINC000747408020 1080811691 /nfs/dbraw/zinc/81/16/91/1080811691.db2.gz LUQXBXKNPGKHTE-GASCZTMLSA-N -1 3 424.544 2.505 20 0 HFADHM COc1cccc(C[C@@H](NCc2cn(-c3ccc(F)cc3Cl)nn2)C(=O)[O-])c1 ZINC000426789559 1126090670 /nfs/dbraw/zinc/09/06/70/1126090670.db2.gz VVTDLPJAQRTBOK-QGZVFWFLSA-N -1 3 404.829 2.854 20 0 HFADHM O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)NCc1ccc(F)cc1Br ZINC000426743583 1126086021 /nfs/dbraw/zinc/08/60/21/1126086021.db2.gz UKEOXFUCSMIPCU-KRWDZBQOSA-N -1 3 419.254 2.954 20 0 HFADHM COc1ccc(C(=O)Nc2cccc(CN[C@@H](Cn3cc(C)cn3)C(=O)[O-])c2)cc1 ZINC001255794649 1126160612 /nfs/dbraw/zinc/16/06/12/1126160612.db2.gz WLKAJPABENWKRB-FQEVSTJZSA-N -1 3 408.458 2.695 20 0 HFADHM CCN1CCN(Cc2ccc(CNC(=O)N[C@H](C(=O)[O-])C3CCCCC3)cc2)CC1 ZINC000780418740 939119595 /nfs/dbraw/zinc/11/95/95/939119595.db2.gz YGKKAYAHRIENQM-NRFANRHFSA-N -1 3 416.566 2.657 20 0 HFADHM COc1ccc2c(ccn2CC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001263628166 939828499 /nfs/dbraw/zinc/82/84/99/939828499.db2.gz KYJBWRGNABOPJH-XMMPIXPASA-N -1 3 421.497 2.886 20 0 HFADHM COc1cc(-c2noc(CCC(=O)[N-]OCc3cccnc3)n2)cc(Cl)c1OC ZINC000746937769 1078083341 /nfs/dbraw/zinc/08/33/41/1078083341.db2.gz MROLZLGTCUYTNA-UHFFFAOYSA-N -1 3 418.837 2.983 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2Cl)cnc1C ZINC000793368216 1078150777 /nfs/dbraw/zinc/15/07/77/1078150777.db2.gz ICWWJIGBHDGRBP-UHFFFAOYSA-N -1 3 423.878 2.758 20 0 HFADHM O=C(NCc1nc2c(s1)CCCC2)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000747130098 1078207638 /nfs/dbraw/zinc/20/76/38/1078207638.db2.gz MKDUMDLCMSTFLJ-UHFFFAOYSA-N -1 3 409.508 2.532 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)[n-]1 ZINC000793965382 1078348631 /nfs/dbraw/zinc/34/86/31/1078348631.db2.gz XXVNUIICUQXBEF-HNNXBMFYSA-N -1 3 400.435 2.716 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@@H]2CCCCN2C(=O)OCc2ccccc2)c[n-]1 ZINC000793965382 1078348636 /nfs/dbraw/zinc/34/86/36/1078348636.db2.gz XXVNUIICUQXBEF-HNNXBMFYSA-N -1 3 400.435 2.716 20 0 HFADHM C[C@@H](CC(=O)NCCCc1ccccc1F)[N-]S(=O)(=O)c1cccnc1Cl ZINC000794263707 1078411567 /nfs/dbraw/zinc/41/15/67/1078411567.db2.gz MYQKLXDCVCHMSQ-ZDUSSCGKSA-N -1 3 413.902 2.680 20 0 HFADHM CC(C)(NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)N1CCCC1 ZINC000794406492 1078427769 /nfs/dbraw/zinc/42/77/69/1078427769.db2.gz MJEYCKXUSIJZPB-HXUWFJFHSA-N -1 3 423.513 2.771 20 0 HFADHM C=Cc1ccc(CCNC(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000794384289 1078432941 /nfs/dbraw/zinc/43/29/41/1078432941.db2.gz UGMDEHZSRDHLPC-AWEZNQCLSA-N -1 3 407.923 2.794 20 0 HFADHM O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129611110 1078581841 /nfs/dbraw/zinc/58/18/41/1078581841.db2.gz VFUWXRYAXGDRQL-UHFFFAOYSA-N -1 3 402.817 2.808 20 0 HFADHM O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129611110 1078581843 /nfs/dbraw/zinc/58/18/43/1078581843.db2.gz VFUWXRYAXGDRQL-UHFFFAOYSA-N -1 3 402.817 2.808 20 0 HFADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)c1c(F)cncc1F ZINC000804825851 1078664640 /nfs/dbraw/zinc/66/46/40/1078664640.db2.gz IBVYVCRHOYOAPK-LLVKDONJSA-N -1 3 413.371 2.796 20 0 HFADHM CCCc1nc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)nn1-c1ccccc1F ZINC001129727071 1078677006 /nfs/dbraw/zinc/67/70/06/1078677006.db2.gz BLDRAOGPAMXBST-UHFFFAOYSA-N -1 3 410.388 2.930 20 0 HFADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)o1 ZINC000804959562 1078799002 /nfs/dbraw/zinc/79/90/02/1078799002.db2.gz JVSIRFXDTCTJIQ-JQWIXIFHSA-N -1 3 405.444 2.878 20 0 HFADHM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)CC1(C)OCCO1 ZINC000805014150 1078825648 /nfs/dbraw/zinc/82/56/48/1078825648.db2.gz RJPMTMWFRNQLFD-SNVBAGLBSA-N -1 3 401.378 2.792 20 0 HFADHM Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3cccnc3C(F)(F)F)C2=O)cc1 ZINC000805017960 1078828356 /nfs/dbraw/zinc/82/83/56/1078828356.db2.gz UFKKECVNUWFZBZ-CQSZACIVSA-N -1 3 413.421 2.883 20 0 HFADHM CCOC(=O)C(=O)c1cc(S(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)cn1C ZINC000805061150 1078873929 /nfs/dbraw/zinc/87/39/29/1078873929.db2.gz FHDYKGSSWQXYBT-OAHLLOKOSA-N -1 3 424.441 2.560 20 0 HFADHM Cc1nc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)ccc1[C@H](C)O ZINC000805055321 1078868990 /nfs/dbraw/zinc/86/89/90/1078868990.db2.gz VPKLNDHFFMZZSV-JTQLQIEISA-N -1 3 408.373 2.960 20 0 HFADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000805074640 1078906528 /nfs/dbraw/zinc/90/65/28/1078906528.db2.gz NERPHNZRGYZREE-WDEREUQCSA-N -1 3 407.895 2.988 20 0 HFADHM COC(=O)c1csc(S(=O)(=O)[N-]C[C@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000805121402 1078913587 /nfs/dbraw/zinc/91/35/87/1078913587.db2.gz PKPWYOPZRHOBOW-LBPRGKRZSA-N -1 3 409.407 2.565 20 0 HFADHM COC(=O)c1csc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000805121401 1078913616 /nfs/dbraw/zinc/91/36/16/1078913616.db2.gz PKPWYOPZRHOBOW-GFCCVEGCSA-N -1 3 409.407 2.565 20 0 HFADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NC[C@@H](CO)C(C)C)c2)c1 ZINC000805317080 1079016516 /nfs/dbraw/zinc/01/65/16/1079016516.db2.gz PYJDFBZKQCALFY-HNNXBMFYSA-N -1 3 416.474 2.656 20 0 HFADHM CCC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)OC ZINC000747238911 1079021790 /nfs/dbraw/zinc/02/17/90/1079021790.db2.gz KUENFROLYNLKKM-OAHLLOKOSA-N -1 3 412.291 2.790 20 0 HFADHM COc1ccncc1COC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000805366712 1079049623 /nfs/dbraw/zinc/04/96/23/1079049623.db2.gz ISZBIFAGKAGWGB-UHFFFAOYSA-N -1 3 419.286 2.809 20 0 HFADHM COC(=O)c1sc(I)cc1[N-]C(=O)c1ncccc1F ZINC001130194490 1079062878 /nfs/dbraw/zinc/06/28/78/1079062878.db2.gz SIBMAYRTZDIYSR-UHFFFAOYSA-N -1 3 406.176 2.926 20 0 HFADHM COc1ccc(CN(C(=O)COC(=O)c2cnn[n-]2)[C@H](C)Cc2cccs2)cc1 ZINC000805607304 1079153560 /nfs/dbraw/zinc/15/35/60/1079153560.db2.gz JOBVQKBQPSQQMQ-CQSZACIVSA-N -1 3 414.487 2.692 20 0 HFADHM COc1ccc(CN(C(=O)COC(=O)c2c[n-]nn2)[C@H](C)Cc2cccs2)cc1 ZINC000805607304 1079153562 /nfs/dbraw/zinc/15/35/62/1079153562.db2.gz JOBVQKBQPSQQMQ-CQSZACIVSA-N -1 3 414.487 2.692 20 0 HFADHM C[C@H]1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788873 1079256488 /nfs/dbraw/zinc/25/64/88/1079256488.db2.gz PKJQSVRNUNXQJK-ONIAQPFYSA-N -1 3 411.468 2.955 20 0 HFADHM O=C([N-]S(=O)(=O)c1cccc2ncccc21)C1CCN(Cc2ccccc2)CC1 ZINC000805872497 1079314036 /nfs/dbraw/zinc/31/40/36/1079314036.db2.gz QEEBYWSGUJDNMG-UHFFFAOYSA-N -1 3 409.511 2.952 20 0 HFADHM COc1ccccc1CS(=O)(=O)[N-]C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805917675 1079332252 /nfs/dbraw/zinc/33/22/52/1079332252.db2.gz VIRUUKXMKBSIKJ-UHFFFAOYSA-N -1 3 402.516 2.553 20 0 HFADHM C[C@@H](CC(=O)NCc1cccc2cc[nH]c21)[N-]S(=O)(=O)c1cccnc1Cl ZINC000787365319 1076774957 /nfs/dbraw/zinc/77/49/57/1076774957.db2.gz CZMZFIHBVLZLFK-LBPRGKRZSA-N -1 3 406.895 2.590 20 0 HFADHM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000746693153 1076871270 /nfs/dbraw/zinc/87/12/70/1076871270.db2.gz MPUUTTJHNASKFK-CXAGYDPISA-N -1 3 413.927 2.677 20 0 HFADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1ccc(Cl)nc1C(F)(F)F ZINC000787746174 1076939342 /nfs/dbraw/zinc/93/93/42/1076939342.db2.gz UUBAYKINBBMNMK-LLVKDONJSA-N -1 3 402.822 2.761 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=S)Nc3ccc(OC)nc3)c2)[n-]1 ZINC000788334328 1077105744 /nfs/dbraw/zinc/10/57/44/1077105744.db2.gz VIBMPMXRQTUAGU-UHFFFAOYSA-N -1 3 412.475 2.539 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=S)Nc3ccc(OC)nc3)c2)n[n-]1 ZINC000788334328 1077105748 /nfs/dbraw/zinc/10/57/48/1077105748.db2.gz VIBMPMXRQTUAGU-UHFFFAOYSA-N -1 3 412.475 2.539 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)c2nnc3ccccn32)c(C)c1Cl ZINC000788592477 1077216142 /nfs/dbraw/zinc/21/61/42/1077216142.db2.gz PDRPMFVFMVRHCJ-SECBINFHSA-N -1 3 414.896 2.579 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CCCc3c2cnn3C)c(C)c1Cl ZINC000788597553 1077218131 /nfs/dbraw/zinc/21/81/31/1077218131.db2.gz XIRUOMZSCQKMPY-SNVBAGLBSA-N -1 3 403.913 2.586 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2OC)c(C)c1Cl ZINC000788629979 1077236419 /nfs/dbraw/zinc/23/64/19/1077236419.db2.gz GWJXJLWMZZFOFP-NSHDSACASA-N -1 3 419.908 2.517 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2)c(C)c1Cl ZINC000788634020 1077238979 /nfs/dbraw/zinc/23/89/79/1077238979.db2.gz ICBGWYMTUPMIKV-NSHDSACASA-N -1 3 407.872 2.648 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCO)c2cccs2)c(C)c1Cl ZINC000788635440 1077240990 /nfs/dbraw/zinc/24/09/90/1077240990.db2.gz YKZBRLHAKFZXFA-VIFPVBQESA-N -1 3 409.938 2.960 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@]2(O)CCc3ccccc32)c(C)c1Cl ZINC000788654581 1077254430 /nfs/dbraw/zinc/25/44/30/1077254430.db2.gz QORWQGKEVOSDSH-QGZVFWFLSA-N -1 3 415.920 2.609 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@](C)(O)C2CCCCC2)ccc1F ZINC000791072981 1077290197 /nfs/dbraw/zinc/29/01/97/1077290197.db2.gz RCTWUJHWNUPERV-FQEVSTJZSA-N -1 3 414.543 2.964 20 0 HFADHM CN1C(=O)Cc2cc(NC(=O)c3ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c3)ccc21 ZINC000788810101 1077294549 /nfs/dbraw/zinc/29/45/49/1077294549.db2.gz NGCXOVZXFHDKEQ-UHFFFAOYSA-N -1 3 419.478 2.674 20 0 HFADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000791161221 1077313165 /nfs/dbraw/zinc/31/31/65/1077313165.db2.gz MNOUHTMGLUIGCJ-GOSISDBHSA-N -1 3 413.449 2.601 20 0 HFADHM C[C@@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000746985749 1077319200 /nfs/dbraw/zinc/31/92/00/1077319200.db2.gz IKYGILSTAJXMFN-HIFRSBDPSA-N -1 3 404.413 2.606 20 0 HFADHM O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000791177607 1077329162 /nfs/dbraw/zinc/32/91/62/1077329162.db2.gz GOTDVYRVNHVLGQ-INIZCTEOSA-N -1 3 410.511 2.878 20 0 HFADHM Cc1cc(C)c(N2CC[C@@H]([N-]S(=O)(=O)Cc3ccc(Cl)nc3)C2=O)c(C)c1 ZINC000788951386 1077359860 /nfs/dbraw/zinc/35/98/60/1077359860.db2.gz ZKFYDZQCTGZNRG-MRXNPFEDSA-N -1 3 407.923 2.885 20 0 HFADHM CCc1nc(C)ccc1OS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000788955059 1077361993 /nfs/dbraw/zinc/36/19/93/1077361993.db2.gz VKBCMKPPQKSJBW-UHFFFAOYSA-N -1 3 402.469 2.621 20 0 HFADHM C[C@@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)c1ccccc1C(F)(F)F ZINC000789074611 1077397229 /nfs/dbraw/zinc/39/72/29/1077397229.db2.gz ZTTGKIKFDGOVRL-QMTHXVAHSA-N -1 3 409.426 2.784 20 0 HFADHM O=S(=O)([N-]CCNC(=S)NCCc1ccc(F)cc1)c1ccc(Cl)s1 ZINC000789273092 1077492778 /nfs/dbraw/zinc/49/27/78/1077492778.db2.gz HZDLQGBHOKCVDD-UHFFFAOYSA-N -1 3 421.972 2.526 20 0 HFADHM COCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)[C@H]1CC[C@H](C)C1 ZINC000791771609 1077547432 /nfs/dbraw/zinc/54/74/32/1077547432.db2.gz PFWYJRHXZMOVGC-HOCLYGCPSA-N -1 3 400.516 2.790 20 0 HFADHM O=S(=O)([N-]C[C@H](O)c1c(F)cccc1F)c1ccc(Br)cc1F ZINC000772737002 1077560899 /nfs/dbraw/zinc/56/08/99/1077560899.db2.gz PNAHAYRJVWBILR-LBPRGKRZSA-N -1 3 410.211 2.878 20 0 HFADHM O=C(NCc1ccnc(-c2ccccc2)c1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001170113050 1077687880 /nfs/dbraw/zinc/68/78/80/1077687880.db2.gz VPVSGIYTDFEAKR-UHFFFAOYSA-N -1 3 416.412 2.866 20 0 HFADHM O=C(NCc1ccnc(-c2ccccc2)c1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001170113050 1077687882 /nfs/dbraw/zinc/68/78/82/1077687882.db2.gz VPVSGIYTDFEAKR-UHFFFAOYSA-N -1 3 416.412 2.866 20 0 HFADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)ccnc2Br)cc1OC ZINC000789734332 1077742813 /nfs/dbraw/zinc/74/28/13/1077742813.db2.gz IYJHMCYEBNHTFQ-UHFFFAOYSA-N -1 3 415.265 2.749 20 0 HFADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@@H](O)C2)c(Cl)cc1Cl ZINC000789859220 1077841128 /nfs/dbraw/zinc/84/11/28/1077841128.db2.gz WDOJTQBHDYOZHF-VXGBXAGGSA-N -1 3 423.362 2.819 20 0 HFADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CC[C@@H](O)C2)c(Cl)cc1Cl ZINC000789859213 1077841218 /nfs/dbraw/zinc/84/12/18/1077841218.db2.gz WDOJTQBHDYOZHF-NWDGAFQWSA-N -1 3 423.362 2.819 20 0 HFADHM O=C(NCCc1cc(F)ccc1F)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000746869744 1077901037 /nfs/dbraw/zinc/90/10/37/1077901037.db2.gz VZRUFFUCZYYFGX-UHFFFAOYSA-N -1 3 416.396 2.656 20 0 HFADHM CC(C)(COc1ncccc1Br)NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000772803352 1077919365 /nfs/dbraw/zinc/91/93/65/1077919365.db2.gz SWZJVMNCNSISNG-UVTDQMKNSA-N -1 3 416.275 2.902 20 0 HFADHM COc1cc(Cl)c(S(=O)(=O)NCC(C)(C)N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000792592029 1077926931 /nfs/dbraw/zinc/92/69/31/1077926931.db2.gz RREMEZCCZMKFNG-GFCCVEGCSA-N -1 3 418.943 2.836 20 0 HFADHM CCCCN1CCCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000792592130 1077927123 /nfs/dbraw/zinc/92/71/23/1077927123.db2.gz VMYLVPOHQMPTGA-ZDUSSCGKSA-N -1 3 418.943 2.980 20 0 HFADHM CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ncccc2[O-])[C@@H]2CCCO[C@H]2C1(C)C ZINC000792613855 1077939199 /nfs/dbraw/zinc/93/91/99/1077939199.db2.gz VNRIXNDSLIVZTE-FQWGINHLSA-N -1 3 405.495 2.502 20 0 HFADHM Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000790121357 1077957678 /nfs/dbraw/zinc/95/76/78/1077957678.db2.gz DKLOCXWGFQYKAI-HNNXBMFYSA-N -1 3 424.498 2.740 20 0 HFADHM COC(=O)c1cc(C)nc2nc(SCC3CCC4(CC3)OCCO4)[n-]c(=O)c12 ZINC000792665459 1077967739 /nfs/dbraw/zinc/96/77/39/1077967739.db2.gz UHFVINATTDSSMZ-UHFFFAOYSA-N -1 3 405.476 2.851 20 0 HFADHM CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc4c(c3)[n-]c(=S)n(C)c4=O)cccc21 ZINC000790237453 1077973899 /nfs/dbraw/zinc/97/38/99/1077973899.db2.gz MKEFLRAGZAUBRL-QGZVFWFLSA-N -1 3 410.499 2.860 20 0 HFADHM O=S(=O)(C[C@@H]1CCCOC1)[N-]C1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000792760249 1077987795 /nfs/dbraw/zinc/98/77/95/1077987795.db2.gz CELHJTHLNWEXHL-HZPDHXFCSA-N -1 3 413.540 2.817 20 0 HFADHM Nc1nc(Cl)cc(=N[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[nH]1 ZINC000790398251 1078025670 /nfs/dbraw/zinc/02/56/70/1078025670.db2.gz PWMHXWRVJMUUMY-UHFFFAOYSA-N -1 3 402.185 2.690 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCOc3c(F)ccc(F)c32)ccc1F ZINC001130766045 1080062438 /nfs/dbraw/zinc/06/24/38/1080062438.db2.gz QZQMYBFIOJOJNZ-UHFFFAOYSA-N -1 3 414.405 2.830 20 0 HFADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000807105121 1080284804 /nfs/dbraw/zinc/28/48/04/1080284804.db2.gz UELRKJHMXRCURK-BEFAXECRSA-N -1 3 414.408 2.771 20 0 HFADHM COCN1C(=O)CCc2cc(NC(=O)c3c[n-]c4cc(OC)ccc4c3=O)ccc21 ZINC000807330745 1080529989 /nfs/dbraw/zinc/52/99/89/1080529989.db2.gz GWBXZQDRCLYZIP-UHFFFAOYSA-N -1 3 407.426 2.672 20 0 HFADHM Cc1cnn(C[C@H](NCc2cn(-c3ccc(Br)cc3)nc2C)C(=O)[O-])c1 ZINC000426725672 1126083114 /nfs/dbraw/zinc/08/31/14/1126083114.db2.gz CWVWHLRTYMQKJW-KRWDZBQOSA-N -1 3 418.295 2.691 20 0 HFADHM CSc1cc2c(cc1CN[C@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-])OCCO2 ZINC000426728857 1126083812 /nfs/dbraw/zinc/08/38/12/1126083812.db2.gz YBXBCNOPFSWTKF-LLVKDONJSA-N -1 3 417.409 2.638 20 0 HFADHM O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)NCc1ccccc1Br ZINC000426729496 1126083833 /nfs/dbraw/zinc/08/38/33/1126083833.db2.gz DFMGICFGRUZZBJ-QGZVFWFLSA-N -1 3 401.264 2.815 20 0 HFADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000426758239 1126088300 /nfs/dbraw/zinc/08/83/00/1126088300.db2.gz HBRXFZNZSPLPJV-LBPRGKRZSA-N -1 3 419.787 2.960 20 0 HFADHM O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426784201 1126090250 /nfs/dbraw/zinc/09/02/50/1126090250.db2.gz PUTMHWNDBFXVFW-OAHLLOKOSA-N -1 3 418.812 2.574 20 0 HFADHM COc1cc(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])c(SC)cc1OC ZINC000426752569 1126087471 /nfs/dbraw/zinc/08/74/71/1126087471.db2.gz DCQBASHKOKZCQK-LLVKDONJSA-N -1 3 419.425 2.884 20 0 HFADHM O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001164966688 722065039 /nfs/dbraw/zinc/06/50/39/722065039.db2.gz WQRSJBZXWMLJQK-ZJUUUORDSA-N -1 3 417.894 2.914 20 0 HFADHM O=C([O-])[C@@H](NC(=O)NCCCCN1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000780438030 939121536 /nfs/dbraw/zinc/12/15/36/939121536.db2.gz HPJNJVMGJXNCBJ-QFIPXVFZSA-N -1 3 424.545 2.710 20 0 HFADHM COc1cccc([C@@H](CNC(=O)NC2(C(=O)[O-])Cc3ccccc3C2)N2CCCC2)c1 ZINC001119574208 939813127 /nfs/dbraw/zinc/81/31/27/939813127.db2.gz RIGDBMXBYTTWMR-OAQYLSRUSA-N -1 3 423.513 2.754 20 0 HFADHM Cc1noc(-c2ccc(C(=O)N[C@@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)cc2)n1 ZINC001263627495 939828056 /nfs/dbraw/zinc/82/80/56/939828056.db2.gz NKZFFVXGOZDHKK-QHCPKHFHSA-N -1 3 420.469 2.894 20 0 HFADHM O=C([N-]N1CCCNC1=O)c1cc(I)c(Cl)cc1Cl ZINC000787499629 1076826846 /nfs/dbraw/zinc/82/68/46/1076826846.db2.gz HAPUBSZSXBAPHV-UHFFFAOYSA-N -1 3 414.030 2.658 20 0 HFADHM CS(=O)(=O)N(CCO[N-]C(=O)Cc1cccc2ccccc21)Cc1ccccc1 ZINC000790506500 1078047625 /nfs/dbraw/zinc/04/76/25/1078047625.db2.gz SHBXNUVJQCGOJM-UHFFFAOYSA-N -1 3 412.511 2.892 20 0 HFADHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)NOCc2cccnc2)c1[O-] ZINC000746936313 1078082223 /nfs/dbraw/zinc/08/22/23/1078082223.db2.gz CAUJCADKJIBPRJ-UHFFFAOYSA-N -1 3 417.421 2.753 20 0 HFADHM O=S(=O)(/C=C\c1ccccc1Br)[N-]c1ccc(-n2cncn2)cn1 ZINC000790647582 1078093292 /nfs/dbraw/zinc/09/32/92/1078093292.db2.gz FMZKHAMHPAIEBT-FPLPWBNLSA-N -1 3 406.265 2.837 20 0 HFADHM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2ccc(OC)nc2Cl)c1 ZINC000793414764 1078160164 /nfs/dbraw/zinc/16/01/64/1078160164.db2.gz FASDNHMNFDGYDV-UHFFFAOYSA-N -1 3 414.867 2.868 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@@H]3C)cc2)c(C)cc1F ZINC000793393812 1078165500 /nfs/dbraw/zinc/16/55/00/1078165500.db2.gz IASGHFBQRFBSPN-AWEZNQCLSA-N -1 3 422.478 2.947 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2c(-c3ccco3)nc3ccccn32)ccc1F ZINC000793720053 1078265029 /nfs/dbraw/zinc/26/50/29/1078265029.db2.gz XXLAXUKCCNDAGB-UHFFFAOYSA-N -1 3 414.418 2.894 20 0 HFADHM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000747152517 1078325400 /nfs/dbraw/zinc/32/54/00/1078325400.db2.gz NTCDFSKDPSLZDB-OFQRWUPVSA-N -1 3 417.453 2.979 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)C=Cc2cc(Br)c(O)c(OC)c2)[n-]1 ZINC000793963502 1078348363 /nfs/dbraw/zinc/34/83/63/1078348363.db2.gz JUONUGWGHVYNHK-PLNGDYQASA-N -1 3 410.224 2.715 20 0 HFADHM CCOC(=O)c1nc(NC(=O)C=Cc2cc(Br)c(O)c(OC)c2)c[n-]1 ZINC000793963502 1078348368 /nfs/dbraw/zinc/34/83/68/1078348368.db2.gz JUONUGWGHVYNHK-PLNGDYQASA-N -1 3 410.224 2.715 20 0 HFADHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cccnc2Br)c1 ZINC000794026963 1078368946 /nfs/dbraw/zinc/36/89/46/1078368946.db2.gz QVDRJMRDPQZBDM-UHFFFAOYSA-N -1 3 415.265 2.578 20 0 HFADHM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)NCCN1CC=CCC1 ZINC000794120284 1078374456 /nfs/dbraw/zinc/37/44/56/1078374456.db2.gz ZDWWAPDFFMJYFP-UHFFFAOYSA-N -1 3 400.548 2.624 20 0 HFADHM COc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000794146553 1078378016 /nfs/dbraw/zinc/37/80/16/1078378016.db2.gz NNRLFZGLNSAAJG-FUHWJXTLSA-N -1 3 406.479 2.807 20 0 HFADHM CO[C@](C)([C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC001129850198 1078532704 /nfs/dbraw/zinc/53/27/04/1078532704.db2.gz BSRVVLOZEOIXLZ-HXPMCKFVSA-N -1 3 400.516 2.836 20 0 HFADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1csc(I)c1 ZINC001129612862 1078619465 /nfs/dbraw/zinc/61/94/65/1078619465.db2.gz KTYHYGOWJSEWNE-UHFFFAOYSA-N -1 3 415.191 2.924 20 0 HFADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1csc(I)c1 ZINC001129612862 1078619469 /nfs/dbraw/zinc/61/94/69/1078619469.db2.gz KTYHYGOWJSEWNE-UHFFFAOYSA-N -1 3 415.191 2.924 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2c(F)cncc2F)ccc1F ZINC000804828581 1078668276 /nfs/dbraw/zinc/66/82/76/1078668276.db2.gz ZRVKGXVLCNHCNY-SNVBAGLBSA-N -1 3 401.410 2.677 20 0 HFADHM CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cs1 ZINC001129728952 1078678611 /nfs/dbraw/zinc/67/86/11/1078678611.db2.gz PKKYZHYQIPXGNJ-UHFFFAOYSA-N -1 3 403.443 2.628 20 0 HFADHM CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cs1 ZINC001129728952 1078678616 /nfs/dbraw/zinc/67/86/16/1078678616.db2.gz PKKYZHYQIPXGNJ-UHFFFAOYSA-N -1 3 403.443 2.628 20 0 HFADHM CN1C(=O)C[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)[C@H]1c1cccc(Cl)c1 ZINC001129729545 1078679162 /nfs/dbraw/zinc/67/91/62/1078679162.db2.gz YYJYQQYTADMFEU-CXAGYDPISA-N -1 3 414.828 2.817 20 0 HFADHM CN1C(=O)C[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)[C@H]1c1cccc(Cl)c1 ZINC001129729545 1078679163 /nfs/dbraw/zinc/67/91/63/1078679163.db2.gz YYJYQQYTADMFEU-CXAGYDPISA-N -1 3 414.828 2.817 20 0 HFADHM Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000804858712 1078727730 /nfs/dbraw/zinc/72/77/30/1078727730.db2.gz FFNJWXPQXNNCLQ-HNNXBMFYSA-N -1 3 410.471 2.571 20 0 HFADHM C[C@H](Cc1ccco1)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000804909621 1078731239 /nfs/dbraw/zinc/73/12/39/1078731239.db2.gz VUAUGAXBDGXHHK-LLVKDONJSA-N -1 3 420.318 2.795 20 0 HFADHM C[C@H]1CCN(C(=O)NC[C@H](c2ccsc2)N(C)C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000804903354 1078758460 /nfs/dbraw/zinc/75/84/60/1078758460.db2.gz KPTIAEWFGUEPIS-VIRABCJISA-N -1 3 420.501 2.838 20 0 HFADHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)N2CCCC2)c1 ZINC000804939643 1078765111 /nfs/dbraw/zinc/76/51/11/1078765111.db2.gz RUOQVTJFBALGDI-QGZVFWFLSA-N -1 3 413.902 2.998 20 0 HFADHM CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000804932369 1078789283 /nfs/dbraw/zinc/78/92/83/1078789283.db2.gz HMHCEPGKMBOVRT-ZDUSSCGKSA-N -1 3 407.417 2.936 20 0 HFADHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C2CC2)s1 ZINC000805015495 1078826179 /nfs/dbraw/zinc/82/61/79/1078826179.db2.gz KLPRLBANPKFMAC-JTQLQIEISA-N -1 3 405.343 2.686 20 0 HFADHM COc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000805012587 1078856242 /nfs/dbraw/zinc/85/62/42/1078856242.db2.gz PXWHLPGBRWTVMO-LBPRGKRZSA-N -1 3 409.357 2.745 20 0 HFADHM COCCCO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000805045868 1078860571 /nfs/dbraw/zinc/86/05/71/1078860571.db2.gz ZTWXGLVDHWMUEU-INIZCTEOSA-N -1 3 400.475 2.785 20 0 HFADHM O=S(=O)([N-]C1CCC(F)(F)CC1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000805051424 1078864989 /nfs/dbraw/zinc/86/49/89/1078864989.db2.gz UZETZIMCMYKQDY-UHFFFAOYSA-N -1 3 407.382 2.836 20 0 HFADHM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)[C@H]1c1ccc(Cl)cc1 ZINC000805052779 1078865715 /nfs/dbraw/zinc/86/57/15/1078865715.db2.gz QZEQHODEZLLAAI-DZGCQCFKSA-N -1 3 418.277 2.778 20 0 HFADHM CC(C)(C)OC(=O)N1CCC(C)([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000805067840 1078877626 /nfs/dbraw/zinc/87/76/26/1078877626.db2.gz GIQVMTPENSFTGO-UHFFFAOYSA-N -1 3 407.895 2.942 20 0 HFADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000805120431 1078904079 /nfs/dbraw/zinc/90/40/79/1078904079.db2.gz SGONHGXRBQDVTO-QGZVFWFLSA-N -1 3 412.458 2.723 20 0 HFADHM Cc1cnnn1-c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC001130128286 1078980802 /nfs/dbraw/zinc/98/08/02/1078980802.db2.gz JFYCEMMTKNUFLG-UHFFFAOYSA-N -1 3 417.466 2.654 20 0 HFADHM Cn1ncc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1-c1ccccc1 ZINC000805455462 1079081592 /nfs/dbraw/zinc/08/15/92/1079081592.db2.gz JOADYJRBFREAAG-UHFFFAOYSA-N -1 3 414.462 2.919 20 0 HFADHM CCN(C)C(=O)c1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000805448197 1079099038 /nfs/dbraw/zinc/09/90/38/1079099038.db2.gz SJIWSSCGWPNHKR-UHFFFAOYSA-N -1 3 419.478 2.611 20 0 HFADHM Cc1onc(-c2cccc(F)c2)c1C(=O)[N-]c1ncn(CC(=O)OC(C)(C)C)n1 ZINC001130403168 1079303442 /nfs/dbraw/zinc/30/34/42/1079303442.db2.gz WFERQKDYPUGMOE-UHFFFAOYSA-N -1 3 401.398 2.975 20 0 HFADHM COC(=O)c1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c1OC ZINC001130483653 1079408150 /nfs/dbraw/zinc/40/81/50/1079408150.db2.gz URIHASNHFXAVTK-UHFFFAOYSA-N -1 3 424.450 2.560 20 0 HFADHM CO[C@@H](CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(F)(F)F ZINC000787342383 1076786469 /nfs/dbraw/zinc/78/64/69/1076786469.db2.gz WFJKHLDLGDENLE-ZDUSSCGKSA-N -1 3 414.421 2.600 20 0 HFADHM CN(C(=O)Cn1c(=O)c2ccccc2[n-]c1=S)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746693682 1076860729 /nfs/dbraw/zinc/86/07/29/1076860729.db2.gz HXLPHUNBOADEQY-SFHVURJKSA-N -1 3 422.554 2.808 20 0 HFADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCCCCO)c(Cl)cc1Cl ZINC000787614801 1076879348 /nfs/dbraw/zinc/87/93/48/1076879348.db2.gz APIRIKOSCCIXIZ-LLVKDONJSA-N -1 3 411.351 2.963 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](COC)c2ccc(Cl)cc2)ccc1F ZINC000787658743 1076901791 /nfs/dbraw/zinc/90/17/91/1076901791.db2.gz 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CC[C@H](C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)N(CC)CC ZINC000788410656 1077154705 /nfs/dbraw/zinc/15/47/05/1077154705.db2.gz PVURTYYIAWUHTJ-DZGCQCFKSA-N -1 3 420.959 2.679 20 0 HFADHM COC(=O)c1cnc(SCCS(=O)(=O)c2ccc(Br)cc2)[n-]1 ZINC000788505618 1077185484 /nfs/dbraw/zinc/18/54/84/1077185484.db2.gz MMSKTDXMBOXDQB-UHFFFAOYSA-N -1 3 405.295 2.525 20 0 HFADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCCCO)c(Cl)cc1Cl ZINC000788552658 1077198504 /nfs/dbraw/zinc/19/85/04/1077198504.db2.gz FOTOIRMWYGJZSX-UHFFFAOYSA-N -1 3 411.351 2.772 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C(=O)OC)c2cccs2)c(C)c1Cl ZINC000788618757 1077230892 /nfs/dbraw/zinc/23/08/92/1077230892.db2.gz JPWBDCLJRJVZJI-SNVBAGLBSA-N -1 3 423.921 2.751 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2ccc(CO)c(F)c2)c(C)c1Cl ZINC000788632391 1077237320 /nfs/dbraw/zinc/23/73/20/1077237320.db2.gz WVABGEGMUCTVCN-UHFFFAOYSA-N -1 3 407.872 2.606 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2ccccc2NC(C)=O)c(C)c1Cl ZINC000788633506 1077239279 /nfs/dbraw/zinc/23/92/79/1077239279.db2.gz BEFFQKVVWUCRQV-UHFFFAOYSA-N -1 3 416.908 2.933 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCO)c2cccs2)c(C)c1Cl ZINC000788635439 1077240961 /nfs/dbraw/zinc/24/09/61/1077240961.db2.gz YKZBRLHAKFZXFA-SECBINFHSA-N -1 3 409.938 2.960 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCOCc2ccccc2)c(C)c1Cl ZINC000788642997 1077244846 /nfs/dbraw/zinc/24/48/46/1077244846.db2.gz YWTFFFZRWUMJCC-UHFFFAOYSA-N -1 3 403.909 2.992 20 0 HFADHM O=C([N-][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)C(F)(F)C1CCOCC1 ZINC000790956122 1077253998 /nfs/dbraw/zinc/25/39/98/1077253998.db2.gz NUFFDSBRLYSBMG-INIZCTEOSA-N -1 3 402.388 2.634 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CC2([C@@H](C)CCO)CCC2)c(C)c1Cl ZINC000788663746 1077258542 /nfs/dbraw/zinc/25/85/42/1077258542.db2.gz REZOAYCBWAHGLX-JTQLQIEISA-N -1 3 409.957 2.964 20 0 HFADHM C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)c1nnnn1C1CC1 ZINC000790941679 1077260257 /nfs/dbraw/zinc/26/02/57/1077260257.db2.gz DKZJSEMWOFXDNC-SECBINFHSA-N -1 3 410.912 2.824 20 0 HFADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)[C@@]12CCCO2 ZINC000788671269 1077262154 /nfs/dbraw/zinc/26/21/54/1077262154.db2.gz ZINZMZVXJFSGLU-USBNGQNGSA-N -1 3 423.940 2.501 20 0 HFADHM C[C@H](CC(=O)NCc1ccc(C2CC2)cc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000791183823 1077330931 /nfs/dbraw/zinc/33/09/31/1077330931.db2.gz NARRZCMYIVSOTO-CYBMUJFWSA-N -1 3 407.923 2.986 20 0 HFADHM O=C1[C@@H]([N-]S(=O)(=O)C2=Cc3ccccc3OC2)CCN1c1cccc(Cl)c1 ZINC000788898102 1077343786 /nfs/dbraw/zinc/34/37/86/1077343786.db2.gz JJAWIICWIBGKDT-KRWDZBQOSA-N -1 3 404.875 2.798 20 0 HFADHM O=C1[C@@H]([N-]S(=O)(=O)C2=Cc3ccccc3OC2)CCCN1c1ccccc1F ZINC000788902069 1077345752 /nfs/dbraw/zinc/34/57/52/1077345752.db2.gz AKASLZAGBAMBIO-KRWDZBQOSA-N -1 3 402.447 2.674 20 0 HFADHM COCCN(CC[N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)OC(C)(C)C ZINC000788904222 1077346625 /nfs/dbraw/zinc/34/66/25/1077346625.db2.gz BSCNWWRLNSKYRQ-UHFFFAOYSA-N -1 3 412.961 2.872 20 0 HFADHM CC(C)(O)CO[N-]C(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000791264014 1077351809 /nfs/dbraw/zinc/35/18/09/1077351809.db2.gz QQSZNBOSELPMBV-UHFFFAOYSA-N -1 3 411.549 2.718 20 0 HFADHM COC(=O)[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccsc1 ZINC000788919089 1077355220 /nfs/dbraw/zinc/35/52/20/1077355220.db2.gz ZFSKTTWLEQSMKM-OAHLLOKOSA-N -1 3 415.464 2.645 20 0 HFADHM O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000772728727 1077376575 /nfs/dbraw/zinc/37/65/75/1077376575.db2.gz IRTOWMNNBWGZBA-LSTHTHJFSA-N -1 3 400.475 2.725 20 0 HFADHM C[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)c1ccccc1C(F)(F)F ZINC000789074605 1077397238 /nfs/dbraw/zinc/39/72/38/1077397238.db2.gz ZTTGKIKFDGOVRL-HZMBPMFUSA-N -1 3 409.426 2.784 20 0 HFADHM CS[C@@H]1CCCCN(C(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)C1 ZINC000772732268 1077430567 /nfs/dbraw/zinc/43/05/67/1077430567.db2.gz DBELSCZWFLVNLX-CHWSQXEVSA-N -1 3 405.973 2.536 20 0 HFADHM COCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)[C@H]1CC[C@@H](C)C1 ZINC000791771610 1077547450 /nfs/dbraw/zinc/54/74/50/1077547450.db2.gz PFWYJRHXZMOVGC-ZBFHGGJFSA-N -1 3 400.516 2.790 20 0 HFADHM CS(=O)(=O)c1cccc(C(=O)COC(=O)c2cccc(Br)c2[O-])c1 ZINC000791864550 1077573461 /nfs/dbraw/zinc/57/34/61/1077573461.db2.gz NMOCJCIAEIJPFY-UHFFFAOYSA-N -1 3 413.245 2.598 20 0 HFADHM COC(=O)CC1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CCCC1 ZINC000791882216 1077584947 /nfs/dbraw/zinc/58/49/47/1077584947.db2.gz ZFTDDBSRDOGAEL-UHFFFAOYSA-N -1 3 414.499 2.508 20 0 HFADHM COc1ccccc1[C@H](CNC(=O)NCc1ncccc1[O-])NC(=O)OC(C)(C)C ZINC000792038067 1077688898 /nfs/dbraw/zinc/68/88/98/1077688898.db2.gz IWBYQYWOQZAEEI-HNNXBMFYSA-N -1 3 416.478 2.861 20 0 HFADHM CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)nc1 ZINC000792043946 1077691483 /nfs/dbraw/zinc/69/14/83/1077691483.db2.gz IECKODKHCQXWAX-UHFFFAOYSA-N -1 3 420.491 2.981 20 0 HFADHM COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000789692478 1077729897 /nfs/dbraw/zinc/72/98/97/1077729897.db2.gz KFBUPMQFWGFKER-SFHVURJKSA-N -1 3 422.522 2.842 20 0 HFADHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCCN4C)cc2CC1 ZINC000789726442 1077760722 /nfs/dbraw/zinc/76/07/22/1077760722.db2.gz HIGVUQSTJVAUON-UHFFFAOYSA-N -1 3 413.543 2.817 20 0 HFADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)cc2)n1 ZINC000789742891 1077776237 /nfs/dbraw/zinc/77/62/37/1077776237.db2.gz CVDZJLPWTFIIHL-MRXNPFEDSA-N -1 3 410.474 2.941 20 0 HFADHM CS(=O)(=O)[N-]c1cc(C(=O)OCCO[C@@H]2CCCCO2)cc(C(F)(F)F)c1 ZINC000792272589 1077788608 /nfs/dbraw/zinc/78/86/08/1077788608.db2.gz VPACVWVUTUUBGS-CQSZACIVSA-N -1 3 411.398 2.777 20 0 HFADHM CCCCOc1ccc(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c([O-])c1 ZINC000789805302 1077806108 /nfs/dbraw/zinc/80/61/08/1077806108.db2.gz ADADBABZRASMCE-UHFFFAOYSA-N -1 3 424.441 2.615 20 0 HFADHM CC(=O)N1C[C@H](C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)Oc2ccccc21 ZINC000792483517 1077877433 /nfs/dbraw/zinc/87/74/33/1077877433.db2.gz WZEILCGPDWLKCM-GOSISDBHSA-N -1 3 403.398 2.971 20 0 HFADHM CC(=O)N1C[C@H](C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)Oc2ccccc21 ZINC000792483517 1077877439 /nfs/dbraw/zinc/87/74/39/1077877439.db2.gz WZEILCGPDWLKCM-GOSISDBHSA-N -1 3 403.398 2.971 20 0 HFADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000792520793 1077885160 /nfs/dbraw/zinc/88/51/60/1077885160.db2.gz NJSSPDODKQYCLE-NSHDSACASA-N -1 3 418.450 2.584 20 0 HFADHM C[C@@H](CC(=O)N(C)c1ccc2cc[nH]c2c1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000792572304 1077910545 /nfs/dbraw/zinc/91/05/45/1077910545.db2.gz DKBXSLTYFHIXOO-LBPRGKRZSA-N -1 3 406.895 2.936 20 0 HFADHM C[C@@H](NC(=O)COC(=O)c1cccc2nn[n-]c21)c1ccc(Br)cc1 ZINC000790073136 1077922728 /nfs/dbraw/zinc/92/27/28/1077922728.db2.gz FNBYRULNRILBHO-SNVBAGLBSA-N -1 3 403.236 2.755 20 0 HFADHM C[C@@H](NC(=O)COC(=O)c1cccc2[n-]nnc21)c1ccc(Br)cc1 ZINC000790073136 1077922729 /nfs/dbraw/zinc/92/27/29/1077922729.db2.gz FNBYRULNRILBHO-SNVBAGLBSA-N -1 3 403.236 2.755 20 0 HFADHM C[C@@H](NC(=O)COC(=O)c1cccc2n[n-]nc21)c1ccc(Br)cc1 ZINC000790073136 1077922731 /nfs/dbraw/zinc/92/27/31/1077922731.db2.gz FNBYRULNRILBHO-SNVBAGLBSA-N -1 3 403.236 2.755 20 0 HFADHM Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COC(=O)c1cccc2nn[n-]c21 ZINC000790075654 1077923320 /nfs/dbraw/zinc/92/33/20/1077923320.db2.gz ZBRUEXYNBWDVKT-UHFFFAOYSA-N -1 3 404.430 2.864 20 0 HFADHM Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COC(=O)c1cccc2[n-]nnc21 ZINC000790075654 1077923321 /nfs/dbraw/zinc/92/33/21/1077923321.db2.gz ZBRUEXYNBWDVKT-UHFFFAOYSA-N -1 3 404.430 2.864 20 0 HFADHM Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COC(=O)c1cccc2n[n-]nc21 ZINC000790075654 1077923325 /nfs/dbraw/zinc/92/33/25/1077923325.db2.gz ZBRUEXYNBWDVKT-UHFFFAOYSA-N -1 3 404.430 2.864 20 0 HFADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3nc(C)ns3)c2)cc1 ZINC000790059365 1077934943 /nfs/dbraw/zinc/93/49/43/1077934943.db2.gz XJUXWECOILGSML-UHFFFAOYSA-N -1 3 418.500 2.586 20 0 HFADHM O=C(NCc1ncccc1[O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000792612751 1077938373 /nfs/dbraw/zinc/93/83/73/1077938373.db2.gz PZTAIQWMMKRLEF-UHFFFAOYSA-N -1 3 409.895 2.545 20 0 HFADHM O=C(NC[C@H]1CCN1C1CCCC1)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC001170348332 1077955321 /nfs/dbraw/zinc/95/53/21/1077955321.db2.gz MKWQGFINLMPAME-CYBMUJFWSA-N -1 3 405.442 2.695 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C=Cc3ccc(OC)c(O)c3)c2)[n-]1 ZINC000790160183 1077962760 /nfs/dbraw/zinc/96/27/60/1077962760.db2.gz NCWYKGYBOPTPKJ-CSKARUKUSA-N -1 3 422.441 2.692 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C=Cc3ccc(OC)c(O)c3)c2)n[n-]1 ZINC000790160183 1077962763 /nfs/dbraw/zinc/96/27/63/1077962763.db2.gz NCWYKGYBOPTPKJ-CSKARUKUSA-N -1 3 422.441 2.692 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CC3CCC(OC)CC3)c2)[n-]1 ZINC000790161139 1077963066 /nfs/dbraw/zinc/96/30/66/1077963066.db2.gz YGEAYOJUXUUWPX-UHFFFAOYSA-N -1 3 400.479 2.860 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CC3CCC(OC)CC3)c2)n[n-]1 ZINC000790161139 1077963067 /nfs/dbraw/zinc/96/30/67/1077963067.db2.gz YGEAYOJUXUUWPX-UHFFFAOYSA-N -1 3 400.479 2.860 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cccc(C4OCCO4)c3)c2)[n-]1 ZINC000790160966 1077963252 /nfs/dbraw/zinc/96/32/52/1077963252.db2.gz XLRKKAGTQBSLNH-UHFFFAOYSA-N -1 3 422.441 2.624 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cccc(C4OCCO4)c3)c2)n[n-]1 ZINC000790160966 1077963253 /nfs/dbraw/zinc/96/32/53/1077963253.db2.gz XLRKKAGTQBSLNH-UHFFFAOYSA-N -1 3 422.441 2.624 20 0 HFADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCSC(F)(F)F)c1OC ZINC000790150239 1077965517 /nfs/dbraw/zinc/96/55/17/1077965517.db2.gz FFUDAJJNOVDGPD-UHFFFAOYSA-N -1 3 407.819 2.667 20 0 HFADHM C[C@@H](CC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000790215888 1077972153 /nfs/dbraw/zinc/97/21/53/1077972153.db2.gz NRFKQMHISLQOJO-TUKIKUTGSA-N -1 3 411.886 2.603 20 0 HFADHM C[C@H](CC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000790221538 1077979410 /nfs/dbraw/zinc/97/94/10/1077979410.db2.gz BFEJKLLWWKKCIP-BYCMXARLSA-N -1 3 411.886 2.603 20 0 HFADHM CN(C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@H]1CCCOC1)c1ccccc1 ZINC000792758661 1077987541 /nfs/dbraw/zinc/98/75/41/1077987541.db2.gz RWAMNBNHSGTGHY-FPOVZHCZSA-N -1 3 416.543 2.607 20 0 HFADHM CCC[C@@H](CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)OCC ZINC000790267800 1077990925 /nfs/dbraw/zinc/99/09/25/1077990925.db2.gz JTKFVMLCDQZDFX-AWEZNQCLSA-N -1 3 416.515 2.612 20 0 HFADHM CCO[C@@H](CNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)c1ccccc1 ZINC000772752977 1077996840 /nfs/dbraw/zinc/99/68/40/1077996840.db2.gz SMZCWRCOFJGBTL-INIZCTEOSA-N -1 3 424.469 2.913 20 0 HFADHM CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000792771671 1077998081 /nfs/dbraw/zinc/99/80/81/1077998081.db2.gz JBXGBJDZHRUELN-LRDDRELGSA-N -1 3 424.346 2.814 20 0 HFADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C(C)(C)c1nc(C)no1 ZINC000790441077 1078032102 /nfs/dbraw/zinc/03/21/02/1078032102.db2.gz WQJPEFGYZIPEPF-UHFFFAOYSA-N -1 3 408.249 2.502 20 0 HFADHM CC(C)N1CC[C@@H](NC(=O)N=c2ccnc3n(C)[n-]cc2-3)[C@@H]1c1ccc(F)c(F)c1 ZINC000806493623 1079745531 /nfs/dbraw/zinc/74/55/31/1079745531.db2.gz ZZGQIPJWPSKWOG-MOPGFXCFSA-N -1 3 414.460 2.966 20 0 HFADHM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000806544876 1079783372 /nfs/dbraw/zinc/78/33/72/1079783372.db2.gz AHZWCIZZVNPKPM-ZWKOTPCHSA-N -1 3 412.444 2.563 20 0 HFADHM CNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000806987635 1080199836 /nfs/dbraw/zinc/19/98/36/1080199836.db2.gz IWCYPZOKLXISPP-LBPRGKRZSA-N -1 3 400.273 2.575 20 0 HFADHM C[C@H]1CCN(C(=O)N[C@H]2CN(C)Cc3ccccc32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807028941 1080222555 /nfs/dbraw/zinc/22/25/55/1080222555.db2.gz ADNLVDOPNJYGFJ-PYTWLRIVSA-N -1 3 412.456 2.660 20 0 HFADHM CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)CSc1n[n-]c(=S)s1 ZINC000747387167 1080459885 /nfs/dbraw/zinc/45/98/85/1080459885.db2.gz YHAGZCUSALKBCR-AWEZNQCLSA-N -1 3 409.606 2.827 20 0 HFADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426784200 1126090335 /nfs/dbraw/zinc/09/03/35/1126090335.db2.gz PUTMHWNDBFXVFW-HNNXBMFYSA-N -1 3 418.812 2.574 20 0 HFADHM O=C([O-])[C@H](NC(=O)NCCCN1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000780392245 939114158 /nfs/dbraw/zinc/11/41/58/939114158.db2.gz LKYYFMCYFFJJLG-OAQYLSRUSA-N -1 3 416.566 2.527 20 0 HFADHM CN1CCN(CCCNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000780393518 939114893 /nfs/dbraw/zinc/11/48/93/939114893.db2.gz WUWVFPHZKTVVAD-RTWAWAEBSA-N -1 3 416.566 2.698 20 0 HFADHM O=C([O-])[C@@]1(NC(=O)c2cccc(-n3cccn3)c2)CCCN(Cc2ccccc2)C1 ZINC001263627783 939827964 /nfs/dbraw/zinc/82/79/64/939827964.db2.gz WRAKJGKBVHOZRQ-HSZRJFAPSA-N -1 3 404.470 2.722 20 0 HFADHM CC(=O)Nc1cc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)ccc1C ZINC001263628302 939828542 /nfs/dbraw/zinc/82/85/42/939828542.db2.gz PJGOMMKDFVFNRA-HSZRJFAPSA-N -1 3 409.486 2.803 20 0 HFADHM O=C([N-]CC1CCN(CN2CC[C@@H](CCc3ccccc3)C2=O)CC1)C(F)(F)F ZINC000793515433 1078197429 /nfs/dbraw/zinc/19/74/29/1078197429.db2.gz JLUGCRPIACXRBW-GOSISDBHSA-N -1 3 411.468 2.816 20 0 HFADHM O=C1[C@H]([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)CCN1c1c(F)cccc1F ZINC000772835224 1078222636 /nfs/dbraw/zinc/22/26/36/1078222636.db2.gz MLZZJQMGCJGFMP-QGZVFWFLSA-N -1 3 420.437 2.813 20 0 HFADHM CSCCO[N-]C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000794183598 1078382391 /nfs/dbraw/zinc/38/23/91/1078382391.db2.gz MGUJFJCINGQXNO-LBPRGKRZSA-N -1 3 406.291 2.609 20 0 HFADHM CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000794210041 1078393858 /nfs/dbraw/zinc/39/38/58/1078393858.db2.gz GFKIGEGBJMWCOU-UHFFFAOYSA-N -1 3 420.510 2.852 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2C[C@H](C)O)ccc1F ZINC000804450910 1078487619 /nfs/dbraw/zinc/48/76/19/1078487619.db2.gz RBDJWRJSHMYTMS-HOCLYGCPSA-N -1 3 400.516 2.668 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC(F)(F)C(F)(F)C2)ccc1F ZINC001129635976 1078612431 /nfs/dbraw/zinc/61/24/31/1078612431.db2.gz TZLQORHPMNQIEP-UHFFFAOYSA-N -1 3 400.369 2.629 20 0 HFADHM C[C@@H](O)c1cc(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)ccc1F ZINC000804793544 1078625856 /nfs/dbraw/zinc/62/58/56/1078625856.db2.gz YVKPQPPIZPZORM-SECBINFHSA-N -1 3 414.405 2.850 20 0 HFADHM COC[C@]1(CNC(=O)c2cc(OC)c([O-])c(OC)c2)CCCN1C(=O)OC(C)(C)C ZINC000804789218 1078645233 /nfs/dbraw/zinc/64/52/33/1078645233.db2.gz DPDKWGGBYYLQMP-OAQYLSRUSA-N -1 3 424.494 2.555 20 0 HFADHM CNc1c(Cl)ncnc1NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000804789977 1078647915 /nfs/dbraw/zinc/64/79/15/1078647915.db2.gz WFGYSTYVGZLRSU-UHFFFAOYSA-N -1 3 410.714 2.869 20 0 HFADHM C[C@@H](NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)c1c(F)cncc1F ZINC000804823591 1078662478 /nfs/dbraw/zinc/66/24/78/1078662478.db2.gz AKVIFDGVWNAGAQ-MRVPVSSYSA-N -1 3 417.384 2.570 20 0 HFADHM O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000804637816 1078724476 /nfs/dbraw/zinc/72/44/76/1078724476.db2.gz MGFGFBDYEDPJMI-IRXDYDNUSA-N -1 3 408.470 2.750 20 0 HFADHM Cc1nc(CN2CCC(CNC(=O)c3c(C)nc(C(C)C)[n-]c3=O)CC2)oc1C ZINC000747223427 1078761854 /nfs/dbraw/zinc/76/18/54/1078761854.db2.gz FYNMVBJMXYLJDU-UHFFFAOYSA-N -1 3 401.511 2.861 20 0 HFADHM CC(C)(C)OC(=O)N(CCC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C1CC1 ZINC000804949887 1078777855 /nfs/dbraw/zinc/77/78/55/1078777855.db2.gz GBJDQEWQMNTADF-UHFFFAOYSA-N -1 3 407.895 2.942 20 0 HFADHM O=S(=O)([N-]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cnc(Cl)c(F)c1 ZINC000804968756 1078804448 /nfs/dbraw/zinc/80/44/48/1078804448.db2.gz FILRCGAAQKQLJN-SNVBAGLBSA-N -1 3 405.829 2.957 20 0 HFADHM CC[C@@](C)([N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1nc(C)cs1 ZINC000805016480 1078827640 /nfs/dbraw/zinc/82/76/40/1078827640.db2.gz QKDXTMXPSGRAND-CYBMUJFWSA-N -1 3 407.359 2.860 20 0 HFADHM CC(C)(C)OC(=O)N[C@@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CC1 ZINC000805052254 1078866399 /nfs/dbraw/zinc/86/63/99/1078866399.db2.gz VRERVCJQWJSUEY-NSHDSACASA-N -1 3 409.430 2.682 20 0 HFADHM CC(C)C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)Nc1nccs1 ZINC000805053114 1078867252 /nfs/dbraw/zinc/86/72/52/1078867252.db2.gz HXKQBMLTUCAYNQ-LLVKDONJSA-N -1 3 406.892 2.662 20 0 HFADHM COCc1ccccc1CS(=O)(=O)[N-][C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000805076054 1078906897 /nfs/dbraw/zinc/90/68/97/1078906897.db2.gz CXASNJLCRXETEX-FQEVSTJZSA-N -1 3 416.543 2.983 20 0 HFADHM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1ccccc1S(=O)(=O)C(F)F ZINC000805090331 1078917602 /nfs/dbraw/zinc/91/76/02/1078917602.db2.gz MEZLAVSFIFRDAD-SNVBAGLBSA-N -1 3 403.419 2.787 20 0 HFADHM Cc1ccc(NCCCNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)nc1 ZINC000805132623 1078930500 /nfs/dbraw/zinc/93/05/00/1078930500.db2.gz SCYGLGNKVLEIFX-DZKIICNBSA-N -1 3 415.460 2.679 20 0 HFADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000805135829 1078932278 /nfs/dbraw/zinc/93/22/78/1078932278.db2.gz YPTQVACYRQMXGD-INIZCTEOSA-N -1 3 414.959 2.750 20 0 HFADHM CSCC[C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000805135791 1078932391 /nfs/dbraw/zinc/93/23/91/1078932391.db2.gz YEXRMFRLBUNHJK-SNVBAGLBSA-N -1 3 414.380 2.713 20 0 HFADHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC000805358561 1079045556 /nfs/dbraw/zinc/04/55/56/1079045556.db2.gz RXNCBXOZSLHARL-UHFFFAOYSA-N -1 3 402.350 2.512 20 0 HFADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)O[C@@H](C)c1nncn1C ZINC000805542198 1079130923 /nfs/dbraw/zinc/13/09/23/1079130923.db2.gz IXVFXJUXWPMOOU-ZDUSSCGKSA-N -1 3 418.450 2.981 20 0 HFADHM O=C(COC(=O)c1cnn[n-]1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000805604456 1079151427 /nfs/dbraw/zinc/15/14/27/1079151427.db2.gz JSXXRIVZKDPKOL-OAHLLOKOSA-N -1 3 405.370 2.679 20 0 HFADHM O=C(COC(=O)c1c[n-]nn1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000805604456 1079151430 /nfs/dbraw/zinc/15/14/30/1079151430.db2.gz JSXXRIVZKDPKOL-OAHLLOKOSA-N -1 3 405.370 2.679 20 0 HFADHM COc1ccc(CN(C(=O)COC(=O)c2cnn[n-]2)[C@@H](C)Cc2cccs2)cc1 ZINC000805607303 1079153540 /nfs/dbraw/zinc/15/35/40/1079153540.db2.gz JOBVQKBQPSQQMQ-AWEZNQCLSA-N -1 3 414.487 2.692 20 0 HFADHM COc1ccc(CN(C(=O)COC(=O)c2c[n-]nn2)[C@@H](C)Cc2cccs2)cc1 ZINC000805607303 1079153542 /nfs/dbraw/zinc/15/35/42/1079153542.db2.gz JOBVQKBQPSQQMQ-AWEZNQCLSA-N -1 3 414.487 2.692 20 0 HFADHM C[C@H]1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805787432 1079254063 /nfs/dbraw/zinc/25/40/63/1079254063.db2.gz POWAUPJEYPGGCL-RPUYLAQPSA-N -1 3 403.489 2.945 20 0 HFADHM CC[C@]([N-]S(=O)(=O)c1ccc(/C=C\C(=O)OC)cc1)(C(=O)OC)c1ccccc1 ZINC000747267374 1079245482 /nfs/dbraw/zinc/24/54/82/1079245482.db2.gz JUFMBVYDRJGQDF-OKULMJQMSA-N -1 3 417.483 2.630 20 0 HFADHM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)C2(C)CCN(Cc3ccccc3)CC2)c1 ZINC000805903194 1079327831 /nfs/dbraw/zinc/32/78/31/1079327831.db2.gz SBNXUSAPIMIWTH-UHFFFAOYSA-N -1 3 404.536 2.571 20 0 HFADHM O=C([N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1)C1CCN(C2CC2)CC1 ZINC000805922489 1079352201 /nfs/dbraw/zinc/35/22/01/1079352201.db2.gz GBLBYQRKUKWXIY-UHFFFAOYSA-N -1 3 414.527 2.945 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2csc(N(C)C)n2)c(Cl)cc1Cl ZINC000747290959 1079389594 /nfs/dbraw/zinc/38/95/94/1079389594.db2.gz NDQHLNYJLVEKPU-UHFFFAOYSA-N -1 3 424.331 2.781 20 0 HFADHM CNC(=O)c1ccc(C(=O)[N-]n2cnc3sc(C)c(-c4ccccc4)c3c2=O)cn1 ZINC000747295373 1079396493 /nfs/dbraw/zinc/39/64/93/1079396493.db2.gz LFHSYWINPVMGNX-UHFFFAOYSA-N -1 3 419.466 2.572 20 0 HFADHM Cc1ccc(C[C@H](CO)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC000787382121 1076781159 /nfs/dbraw/zinc/78/11/59/1076781159.db2.gz VEZADULMCVGVMQ-QGZVFWFLSA-N -1 3 422.522 2.544 20 0 HFADHM Cc1ccccc1C[C@@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000787352617 1076792994 /nfs/dbraw/zinc/79/29/94/1076792994.db2.gz GNLIHRBQZAUWRC-KRWDZBQOSA-N -1 3 422.522 2.544 20 0 HFADHM O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1nnc2ccccc2c1[O-] ZINC000787535887 1076852074 /nfs/dbraw/zinc/85/20/74/1076852074.db2.gz AQSOZZHDDDWGRV-QGZVFWFLSA-N -1 3 412.396 2.535 20 0 HFADHM Cc1ccc(C(=O)NCCC(=O)O[C@H](C)c2nnnn2C2CCCCC2)c([O-])c1 ZINC000787684333 1076910343 /nfs/dbraw/zinc/91/03/43/1076910343.db2.gz GUTNHKPXWSFANH-CQSZACIVSA-N -1 3 401.467 2.617 20 0 HFADHM CC(C)[C@H](NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)C(F)(F)F ZINC000787700327 1076917325 /nfs/dbraw/zinc/91/73/25/1076917325.db2.gz MYLRLADWDBCQPX-ZDUSSCGKSA-N -1 3 400.369 2.722 20 0 HFADHM O=C(NCC1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1)OCc1ccccc1 ZINC000787779600 1076943883 /nfs/dbraw/zinc/94/38/83/1076943883.db2.gz JRWYHLHFSHOFKB-UHFFFAOYSA-N -1 3 412.442 2.900 20 0 HFADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787839757 1076959742 /nfs/dbraw/zinc/95/97/42/1076959742.db2.gz DINVMPAEEKDTQF-OAHLLOKOSA-N -1 3 404.829 2.807 20 0 HFADHM O=C(CCCc1ccc([O-])c(F)c1)OCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000787842560 1076960757 /nfs/dbraw/zinc/96/07/57/1076960757.db2.gz GTOJDZKQAFIWIQ-UHFFFAOYSA-N -1 3 414.477 2.742 20 0 HFADHM COc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000772707922 1076965128 /nfs/dbraw/zinc/96/51/28/1076965128.db2.gz ADSFQHZPMXTKHM-CQSZACIVSA-N -1 3 404.257 2.609 20 0 HFADHM CC(C)(C)OC(=O)NCc1cccc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c1 ZINC000787872493 1076968397 /nfs/dbraw/zinc/96/83/97/1076968397.db2.gz GYFRRKRGTQEJLY-UHFFFAOYSA-N -1 3 418.471 2.886 20 0 HFADHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2cc(Br)cnc2Cl)o1 ZINC000787950788 1077006609 /nfs/dbraw/zinc/00/66/09/1077006609.db2.gz CBABCQCFXQTBQT-UHFFFAOYSA-N -1 3 408.661 2.593 20 0 HFADHM O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)[N-]OC[C@H]1CCOC1 ZINC000788116191 1077058301 /nfs/dbraw/zinc/05/83/01/1077058301.db2.gz NOYRMKMJLYBRSI-ZDUSSCGKSA-N -1 3 423.263 2.921 20 0 HFADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NOC[C@H]3CCOC3)c2)cc1 ZINC000788124338 1077060112 /nfs/dbraw/zinc/06/01/12/1077060112.db2.gz XHUBUUSGIPGACO-INIZCTEOSA-N -1 3 404.488 2.802 20 0 HFADHM O=C(NCCNC(=O)c1ccc([O-])cc1)c1nc(Br)sc1C1CC1 ZINC000788281137 1077097326 /nfs/dbraw/zinc/09/73/26/1077097326.db2.gz DXRNVKIWHRFFAR-UHFFFAOYSA-N -1 3 410.293 2.648 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3N(C)C)ccc1F ZINC000788491436 1077179456 /nfs/dbraw/zinc/17/94/56/1077179456.db2.gz OBJPSMFOPQCPEO-KRWDZBQOSA-N -1 3 408.451 2.798 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCOc2ccc(OC)cc2)c(C)c1Cl ZINC000788590966 1077214956 /nfs/dbraw/zinc/21/49/56/1077214956.db2.gz DNPBZROXXUZRAQ-UHFFFAOYSA-N -1 3 419.908 2.862 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)c2nnc3ccccn32)c(C)c1Cl ZINC000788592479 1077216167 /nfs/dbraw/zinc/21/61/67/1077216167.db2.gz PDRPMFVFMVRHCJ-VIFPVBQESA-N -1 3 414.896 2.579 20 0 HFADHM CCCCC[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)OC ZINC000788643528 1077222815 /nfs/dbraw/zinc/22/28/15/1077222815.db2.gz GICANOZVMXARIZ-JTQLQIEISA-N -1 3 411.929 2.897 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2CCOC3(CCOCC3)C2)c(C)c1Cl ZINC000788652663 1077226426 /nfs/dbraw/zinc/22/64/26/1077226426.db2.gz UXLLSHZTIKCBGF-NSHDSACASA-N -1 3 423.940 2.503 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2C)c(C)c1Cl ZINC000788634028 1077238963 /nfs/dbraw/zinc/23/89/63/1077238963.db2.gz IDJGMYDIMQTAMA-LBPRGKRZSA-N -1 3 403.909 2.817 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)OC)c(C)c1Cl ZINC000788634720 1077240008 /nfs/dbraw/zinc/24/00/08/1077240008.db2.gz KFNPYNHKECILFR-JTQLQIEISA-N -1 3 411.929 2.610 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)CN2CCC[C@@H](C)C2)c(C)c1Cl ZINC000788677677 1077247411 /nfs/dbraw/zinc/24/74/11/1077247411.db2.gz VYUCHYFMQROOFI-GHMZBOCLSA-N -1 3 408.973 2.895 20 0 HFADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccc(C(F)(F)F)cc2)cc1F ZINC000788678707 1077247963 /nfs/dbraw/zinc/24/79/63/1077247963.db2.gz SFMMQKIKLXSWKT-UHFFFAOYSA-N -1 3 413.370 2.984 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CC2(c3ccccn3)CC2)c(C)c1Cl ZINC000788663337 1077258362 /nfs/dbraw/zinc/25/83/62/1077258362.db2.gz BUPLNUSZPXNDDB-UHFFFAOYSA-N -1 3 400.909 2.902 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3cnn(C)c3C3CC3)c2)[n-]1 ZINC000788665667 1077259811 /nfs/dbraw/zinc/25/98/11/1077259811.db2.gz HWUJRMNOAWTKSF-UHFFFAOYSA-N -1 3 409.450 2.581 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3cnn(C)c3C3CC3)c2)n[n-]1 ZINC000788665667 1077259816 /nfs/dbraw/zinc/25/98/16/1077259816.db2.gz HWUJRMNOAWTKSF-UHFFFAOYSA-N -1 3 409.450 2.581 20 0 HFADHM C/C=C\C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)OCC ZINC000788667574 1077260988 /nfs/dbraw/zinc/26/09/88/1077260988.db2.gz HAXUFIVKHDQVER-TXNVCOODSA-N -1 3 424.288 2.773 20 0 HFADHM CC(C)N1CC[C@@H](OC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1=O ZINC000746959965 1077271861 /nfs/dbraw/zinc/27/18/61/1077271861.db2.gz XKQXUHMWWAFFHR-VQTJNVASSA-N -1 3 410.470 2.806 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@](C)(O)C2CCCCC2)ccc1F ZINC000791066899 1077287649 /nfs/dbraw/zinc/28/76/49/1077287649.db2.gz LUMPMUBZKPRPHU-LJQANCHMSA-N -1 3 400.516 2.574 20 0 HFADHM C[C@H](CC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)[N-]S(=O)(=O)c1cccnc1Cl ZINC000772726990 1077346976 /nfs/dbraw/zinc/34/69/76/1077346976.db2.gz BEBQDEONMZZALH-JJYIYXIDSA-N -1 3 419.934 2.637 20 0 HFADHM Cc1ccc(-c2cc(C(=O)OCCN(Cc3ccccc3)S(C)(=O)=O)n[n-]2)o1 ZINC000791334784 1077377419 /nfs/dbraw/zinc/37/74/19/1077377419.db2.gz WQMKLXQSBWRXJB-UHFFFAOYSA-N -1 3 403.460 2.597 20 0 HFADHM Cc1ccc(-c2cc(C(=O)OCCN(Cc3ccccc3)S(C)(=O)=O)[n-]n2)o1 ZINC000791334784 1077377421 /nfs/dbraw/zinc/37/74/21/1077377421.db2.gz WQMKLXQSBWRXJB-UHFFFAOYSA-N -1 3 403.460 2.597 20 0 HFADHM CC[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)OC(C)(C)C ZINC000791318074 1077383939 /nfs/dbraw/zinc/38/39/39/1077383939.db2.gz NVBFKYTXTAQDQH-CQSZACIVSA-N -1 3 401.456 2.544 20 0 HFADHM CC[C@]1(NC(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2[O-])CCOC1 ZINC000791418953 1077404410 /nfs/dbraw/zinc/40/44/10/1077404410.db2.gz ZAGNPBXWTUITGS-QFIPXVFZSA-N -1 3 414.458 2.961 20 0 HFADHM CS(=O)(=O)N(CCOC(=O)CCCc1ccc([O-])c(F)c1)Cc1ccccc1 ZINC000791457135 1077413545 /nfs/dbraw/zinc/41/35/45/1077413545.db2.gz BWAWPCLZLBYQTK-UHFFFAOYSA-N -1 3 409.479 2.859 20 0 HFADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000791787935 1077570402 /nfs/dbraw/zinc/57/04/02/1077570402.db2.gz HVVVFWXSKFWGID-QGZVFWFLSA-N -1 3 406.360 2.527 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc3ncccc3c2)ccc1F ZINC000792008396 1077646912 /nfs/dbraw/zinc/64/69/12/1077646912.db2.gz XCNLIYDUEXTSDJ-UHFFFAOYSA-N -1 3 401.463 2.991 20 0 HFADHM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1c(C)ccnc1Br ZINC000789734261 1077742460 /nfs/dbraw/zinc/74/24/60/1077742460.db2.gz GABZEOGALVSTJF-UHFFFAOYSA-N -1 3 419.322 2.665 20 0 HFADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)ccnc2Br)cc1F ZINC000789736389 1077743132 /nfs/dbraw/zinc/74/31/32/1077743132.db2.gz ZKWDWEJYJSYORD-UHFFFAOYSA-N -1 3 403.229 2.879 20 0 HFADHM COc1cccc(C2=NO[C@H](C(=O)NCc3ccc([O-])c(Br)c3)C2)c1 ZINC000792243214 1077762412 /nfs/dbraw/zinc/76/24/12/1077762412.db2.gz PTDIJGFVGAIHAS-KRWDZBQOSA-N -1 3 405.248 2.973 20 0 HFADHM COCCOC(=O)c1sc2[n-]c(CN3CCC[C@@H]4CCC[C@@H]43)nc(=O)c2c1C ZINC000772792401 1077772216 /nfs/dbraw/zinc/77/22/16/1077772216.db2.gz BGKIAOZYHVBJBJ-KBPBESRZSA-N -1 3 405.520 2.861 20 0 HFADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NC[C@@H]3CC[C@H](O)C3)c2)c1 ZINC000789857088 1077840388 /nfs/dbraw/zinc/84/03/88/1077840388.db2.gz GDIJQQSDHPYSTN-CJNGLKHVSA-N -1 3 414.458 2.553 20 0 HFADHM C[C@@H](CC(=O)N[C@@H](C)c1ccc(Cl)cn1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000792447086 1077852959 /nfs/dbraw/zinc/85/29/59/1077852959.db2.gz CXURWNGCIYMWPO-QWRGUYRKSA-N -1 3 417.318 2.718 20 0 HFADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3n[nH]nc3C)ccc2C)cc1 ZINC000789939526 1077860027 /nfs/dbraw/zinc/86/00/27/1077860027.db2.gz ONPQCODKZSCOOH-UHFFFAOYSA-N -1 3 415.475 2.873 20 0 HFADHM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000792532434 1077889793 /nfs/dbraw/zinc/88/97/93/1077889793.db2.gz CYFFLOMERYLFAO-WPRPVWTQSA-N -1 3 412.380 2.818 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)ccc1F ZINC000792537132 1077891446 /nfs/dbraw/zinc/89/14/46/1077891446.db2.gz CUTOTEOQROBMPU-ZDUSSCGKSA-N -1 3 424.498 2.772 20 0 HFADHM CCCCc1nc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)c(C(=O)OCC)[n-]1 ZINC000792553587 1077901220 /nfs/dbraw/zinc/90/12/20/1077901220.db2.gz OLKMKJJVVKMNKO-INIZCTEOSA-N -1 3 414.462 2.682 20 0 HFADHM CC(C)(COc1ncccc1Br)NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000772803350 1077919392 /nfs/dbraw/zinc/91/93/92/1077919392.db2.gz SWZJVMNCNSISNG-GXDHUFHOSA-N -1 3 416.275 2.902 20 0 HFADHM C[C@]1(O)CCCN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)CC1 ZINC000792593019 1077927702 /nfs/dbraw/zinc/92/77/02/1077927702.db2.gz FMMDIOIHOKSSJU-KRWDZBQOSA-N -1 3 421.346 2.811 20 0 HFADHM C[C@H](CC(=O)NCc1ccc2ncccc2c1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000792631124 1077940253 /nfs/dbraw/zinc/94/02/53/1077940253.db2.gz HCHOCIRXLGVRNQ-CYBMUJFWSA-N -1 3 418.906 2.657 20 0 HFADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](O)C2)c(Cl)cc1Cl ZINC000790102029 1077949732 /nfs/dbraw/zinc/94/97/32/1077949732.db2.gz XSDSCHNENGEBAQ-NSHDSACASA-N -1 3 409.335 2.525 20 0 HFADHM O=C(Nc1ccc(F)nc1)c1c[n-]c2ccc(I)cc2c1=O ZINC000772813184 1077955823 /nfs/dbraw/zinc/95/58/23/1077955823.db2.gz UBOLHGUCHAJLFE-UHFFFAOYSA-N -1 3 409.158 2.919 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H](C)N3CCc4ccccc43)c2)[n-]1 ZINC000790160517 1077962568 /nfs/dbraw/zinc/96/25/68/1077962568.db2.gz QUZLWFFHKLIWFJ-OAHLLOKOSA-N -1 3 419.485 2.716 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H](C)N3CCc4ccccc43)c2)n[n-]1 ZINC000790160517 1077962569 /nfs/dbraw/zinc/96/25/69/1077962569.db2.gz QUZLWFFHKLIWFJ-OAHLLOKOSA-N -1 3 419.485 2.716 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cc4ccccc4oc3=O)c2)[n-]1 ZINC000790161404 1077963056 /nfs/dbraw/zinc/96/30/56/1077963056.db2.gz ZBEZZKQJPHYUFZ-UHFFFAOYSA-N -1 3 418.409 2.685 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cc4ccccc4oc3=O)c2)n[n-]1 ZINC000790161404 1077963058 /nfs/dbraw/zinc/96/30/58/1077963058.db2.gz ZBEZZKQJPHYUFZ-UHFFFAOYSA-N -1 3 418.409 2.685 20 0 HFADHM CC(C)(C)[S@@](=O)CC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000790211513 1077971408 /nfs/dbraw/zinc/97/14/08/1077971408.db2.gz ZQHGKOPSSLOJRH-IBGZPJMESA-N -1 3 402.763 2.928 20 0 HFADHM CC(C)[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@H](O)c1ccccc1 ZINC000790395149 1078014179 /nfs/dbraw/zinc/01/41/79/1078014179.db2.gz PRISJEZOFPBZOE-DLBZAZTESA-N -1 3 416.952 2.554 20 0 HFADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 ZINC000747360524 1080081086 /nfs/dbraw/zinc/08/10/86/1080081086.db2.gz VRKCECNTTHYCET-UHFFFAOYSA-N -1 3 414.409 2.986 20 0 HFADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000807031069 1080224759 /nfs/dbraw/zinc/22/47/59/1080224759.db2.gz VHYWRJKRKSTDMN-MLGOLLRUSA-N -1 3 420.437 2.833 20 0 HFADHM Cc1ccc(-c2nc(NC(=O)[C@@H](c3cnn(C)c3)N(C)C(=O)OC(C)(C)C)n[n-]2)o1 ZINC000807080887 1080260813 /nfs/dbraw/zinc/26/08/13/1080260813.db2.gz JBPLPSNWQGLLDW-CQSZACIVSA-N -1 3 415.454 2.653 20 0 HFADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000747377733 1080380249 /nfs/dbraw/zinc/38/02/49/1080380249.db2.gz RNKGXPZNTFDTFB-UHFFFAOYSA-N -1 3 407.927 2.870 20 0 HFADHM CC(C)CCc1nnc([N-]C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)s1 ZINC001130914763 1080530931 /nfs/dbraw/zinc/53/09/31/1080530931.db2.gz ONWBAFAVDQWOEA-UHFFFAOYSA-N -1 3 422.532 2.932 20 0 HFADHM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1ccnc(C(=O)OC(C)(C)C)c1 ZINC001130994999 1080797097 /nfs/dbraw/zinc/79/70/97/1080797097.db2.gz HNKHEIKGYJZFBA-UHFFFAOYSA-N -1 3 411.505 2.601 20 0 HFADHM O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)NCc1cc(Br)ccc1F ZINC000426736481 1126084972 /nfs/dbraw/zinc/08/49/72/1126084972.db2.gz JGQSMFIKMUFHAU-KRWDZBQOSA-N -1 3 419.254 2.954 20 0 HFADHM O=C([O-])C1(NC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000780441168 939122298 /nfs/dbraw/zinc/12/22/98/939122298.db2.gz VWAVIVZYPOWASE-UHFFFAOYSA-N -1 3 416.566 2.671 20 0 HFADHM O=C([O-])[C@]1(NC(=O)COc2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1 ZINC001123371869 939821636 /nfs/dbraw/zinc/82/16/36/939821636.db2.gz DJBHFZIDBDCFIE-NRFANRHFSA-N -1 3 402.878 2.954 20 0 HFADHM O=C([O-])[C@]1(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CCCN(Cc2ccccc2)C1 ZINC001263627836 939827863 /nfs/dbraw/zinc/82/78/63/939827863.db2.gz YFZLSBBEAJTFMI-UGKGYDQZSA-N -1 3 414.889 2.879 20 0 HFADHM O=C([O-])[C@]1(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)CCCN(Cc2ccccc2)C1 ZINC001263627834 939828102 /nfs/dbraw/zinc/82/81/02/939828102.db2.gz YFZLSBBEAJTFMI-KNQAVFIVSA-N -1 3 414.889 2.879 20 0 HFADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OC[C@H]1CC(=O)N(C)C1 ZINC000772757055 1078059797 /nfs/dbraw/zinc/05/97/97/1078059797.db2.gz FEDGMFDFOARTCZ-AWEZNQCLSA-N -1 3 420.462 2.570 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCC3=O)c2)ccc1F ZINC000790603121 1078065208 /nfs/dbraw/zinc/06/52/08/1078065208.db2.gz JIRCAMMIIVSGCD-UHFFFAOYSA-N -1 3 405.451 2.501 20 0 HFADHM COC[C@H](Cn1c(-c2ccc([O-])c(C(N)=O)c2)csc1=Nc1ccsc1)OC ZINC000790674883 1078087401 /nfs/dbraw/zinc/08/74/01/1078087401.db2.gz ASUBJQOHQLUBPW-AWEZNQCLSA-N -1 3 419.528 2.976 20 0 HFADHM O=C([N-][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(F)(F)C1CCOCC1 ZINC000790676920 1078088035 /nfs/dbraw/zinc/08/80/35/1078088035.db2.gz JOKPQNWYNHXDQQ-HNNXBMFYSA-N -1 3 418.387 2.962 20 0 HFADHM Cc1cc([N-]S(=O)(=O)c2ncn(C)c2Cl)cc(N2CCN(C(C)C)CC2)c1 ZINC000790647971 1078092974 /nfs/dbraw/zinc/09/29/74/1078092974.db2.gz PFWVNDMKNCACAR-UHFFFAOYSA-N -1 3 411.959 2.713 20 0 HFADHM O=S(=O)(/C=C/c1ccc(Br)cc1)[N-]c1ccc(-n2cncn2)cn1 ZINC000790647590 1078093243 /nfs/dbraw/zinc/09/32/43/1078093243.db2.gz FPBMHYDRBYJKAU-BQYQJAHWSA-N -1 3 406.265 2.837 20 0 HFADHM COc1ccc(Br)c(C(=O)[N-]NC(=O)c2cc(C=O)c(C)cc2C)c1 ZINC000793414660 1078160502 /nfs/dbraw/zinc/16/05/02/1078160502.db2.gz WDYAJNHQQRXFKC-UHFFFAOYSA-N -1 3 405.248 2.962 20 0 HFADHM Nc1c(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccnc1-c1ccccc1 ZINC000793465890 1078181300 /nfs/dbraw/zinc/18/13/00/1078181300.db2.gz DSWLWHZVPZHIQV-ZDUSSCGKSA-N -1 3 406.408 2.862 20 0 HFADHM CNC(=O)c1cc(Oc2cccc(NC=C3C(=O)[N-]C(=O)c4ccccc43)c2)ccn1 ZINC000793674444 1078249381 /nfs/dbraw/zinc/24/93/81/1078249381.db2.gz RWCMWUGBTAFJIS-UYRXBGFRSA-N -1 3 414.421 2.957 20 0 HFADHM COC(=O)c1cccc2[n-]c(NC(=O)CCN(C)C(=O)OCc3ccccc3)nc21 ZINC000793692335 1078269288 /nfs/dbraw/zinc/26/92/88/1078269288.db2.gz AAQSEYNPIATFNN-UHFFFAOYSA-N -1 3 410.430 2.947 20 0 HFADHM COCN1C(=O)CCc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])ccc21 ZINC000793904182 1078333762 /nfs/dbraw/zinc/33/37/62/1078333762.db2.gz BUNOWJFEYOLEAZ-LJQANCHMSA-N -1 3 423.469 2.519 20 0 HFADHM CCOC(=O)[C@@H](C)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000747161202 1078339442 /nfs/dbraw/zinc/33/94/42/1078339442.db2.gz CXKOBGUUBXIGOY-ZDUSSCGKSA-N -1 3 409.435 2.983 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)[n-]1 ZINC000793961269 1078347854 /nfs/dbraw/zinc/34/78/54/1078347854.db2.gz XLFNPNKIOFXNDH-UHFFFAOYSA-N -1 3 414.462 2.587 20 0 HFADHM CCOC(=O)c1nc(NC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)c[n-]1 ZINC000793961269 1078347859 /nfs/dbraw/zinc/34/78/59/1078347859.db2.gz XLFNPNKIOFXNDH-UHFFFAOYSA-N -1 3 414.462 2.587 20 0 HFADHM O=C(NCCCc1ccccc1F)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000794261474 1078410902 /nfs/dbraw/zinc/41/09/02/1078410902.db2.gz BARXDHBBWGVEPU-UHFFFAOYSA-N -1 3 412.433 2.907 20 0 HFADHM C[C@H](CC(=O)NCCCc1ccccc1F)[N-]S(=O)(=O)c1cccnc1Cl ZINC000794263705 1078411499 /nfs/dbraw/zinc/41/14/99/1078411499.db2.gz MYQKLXDCVCHMSQ-CYBMUJFWSA-N -1 3 413.902 2.680 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@@H]2C[C@H](C)O)ccc1F ZINC000804450909 1078487648 /nfs/dbraw/zinc/48/76/48/1078487648.db2.gz RBDJWRJSHMYTMS-GOEBONIOSA-N -1 3 400.516 2.668 20 0 HFADHM Cc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)nn1CC(F)(F)F ZINC001129890376 1078561344 /nfs/dbraw/zinc/56/13/44/1078561344.db2.gz ZVLKRHTWSDXQTM-UHFFFAOYSA-N -1 3 422.404 2.832 20 0 HFADHM Cc1ccc2c(c1)CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)CCO2 ZINC000804531682 1078569741 /nfs/dbraw/zinc/56/97/41/1078569741.db2.gz DIYIIUNWYXYYMB-UHFFFAOYSA-N -1 3 406.479 2.856 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2c(F)cncc2F)ccc1F ZINC000804828579 1078667701 /nfs/dbraw/zinc/66/77/01/1078667701.db2.gz ZRVKGXVLCNHCNY-JTQLQIEISA-N -1 3 401.410 2.677 20 0 HFADHM COc1ccc(CN2CCCN(C(=O)CSc3n[n-]c(=S)s3)CC2)cc1 ZINC000747202954 1078690746 /nfs/dbraw/zinc/69/07/46/1078690746.db2.gz HXFHMVVDFRZIEL-UHFFFAOYSA-N -1 3 410.590 2.662 20 0 HFADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)o1 ZINC000804959559 1078799035 /nfs/dbraw/zinc/79/90/35/1078799035.db2.gz JVSIRFXDTCTJIQ-CMPLNLGQSA-N -1 3 405.444 2.878 20 0 HFADHM CCOC(=O)[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)Cc1ccccc1 ZINC000804971455 1078807986 /nfs/dbraw/zinc/80/79/86/1078807986.db2.gz BYTGOAAICPDEBT-CYBMUJFWSA-N -1 3 400.859 2.574 20 0 HFADHM C[C@@H]([N-]S(=O)(=O)c1ccc(N(C)C)nc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000805022504 1078833830 /nfs/dbraw/zinc/83/38/30/1078833830.db2.gz UYDDNUJAPVIVLT-LLVKDONJSA-N -1 3 407.883 2.891 20 0 HFADHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000805004587 1078849604 /nfs/dbraw/zinc/84/96/04/1078849604.db2.gz XHMOOOFTWAPTDQ-SECBINFHSA-N -1 3 412.411 2.624 20 0 HFADHM Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)CCC2 ZINC000805058195 1078871802 /nfs/dbraw/zinc/87/18/02/1078871802.db2.gz NTCIUQOLJDNSJZ-LLVKDONJSA-N -1 3 422.500 2.804 20 0 HFADHM CC(C)C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)Nc1nccs1 ZINC000805053115 1078867300 /nfs/dbraw/zinc/86/73/00/1078867300.db2.gz HXKQBMLTUCAYNQ-NSHDSACASA-N -1 3 406.892 2.662 20 0 HFADHM COCC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)c1ccc(C)o1 ZINC000805057913 1078870639 /nfs/dbraw/zinc/87/06/39/1078870639.db2.gz XMSRHSLWHMWFSK-LBPRGKRZSA-N -1 3 423.459 2.640 20 0 HFADHM C[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000805065813 1078876160 /nfs/dbraw/zinc/87/61/60/1078876160.db2.gz PHGFVWKIONYJIH-SECBINFHSA-N -1 3 416.393 2.916 20 0 HFADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000805120430 1078904132 /nfs/dbraw/zinc/90/41/32/1078904132.db2.gz SGONHGXRBQDVTO-KRWDZBQOSA-N -1 3 412.458 2.723 20 0 HFADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(OC)c(OC)c2C)c1 ZINC000805144202 1078943839 /nfs/dbraw/zinc/94/38/39/1078943839.db2.gz UKYONMIBISBGRK-LBPRGKRZSA-N -1 3 411.451 2.977 20 0 HFADHM COc1ccc(CN2CC[C@H]([N-]C(=O)C(F)(F)c3ccccc3F)C2=O)c(OC)c1 ZINC000805443240 1079067745 /nfs/dbraw/zinc/06/77/45/1079067745.db2.gz UXTMBBIETKVDHN-KRWDZBQOSA-N -1 3 422.403 2.852 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]CCN2CCC(C)CC2)c(Cl)cc1Cl ZINC000747245682 1079120293 /nfs/dbraw/zinc/12/02/93/1079120293.db2.gz NZLJYTWKFWFXFE-UHFFFAOYSA-N -1 3 409.335 2.790 20 0 HFADHM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)c1cnn[n-]1 ZINC000805604497 1079151317 /nfs/dbraw/zinc/15/13/17/1079151317.db2.gz LHAQTADHJJJVBP-UHFFFAOYSA-N -1 3 400.416 2.505 20 0 HFADHM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)c1c[n-]nn1 ZINC000805604497 1079151321 /nfs/dbraw/zinc/15/13/21/1079151321.db2.gz LHAQTADHJJJVBP-UHFFFAOYSA-N -1 3 400.416 2.505 20 0 HFADHM O=C(COC(=O)c1cnn[n-]1)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000805602959 1079151405 /nfs/dbraw/zinc/15/14/05/1079151405.db2.gz BBDVDIWEDHNUJY-UHFFFAOYSA-N -1 3 418.207 2.550 20 0 HFADHM O=C(COC(=O)c1c[n-]nn1)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000805602959 1079151411 /nfs/dbraw/zinc/15/14/11/1079151411.db2.gz BBDVDIWEDHNUJY-UHFFFAOYSA-N -1 3 418.207 2.550 20 0 HFADHM COc1ccccc1C(C)(C)CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001626114666 1079169019 /nfs/dbraw/zinc/16/90/19/1079169019.db2.gz MRHLIJWMLKKTAN-UHFFFAOYSA-N -1 3 411.433 2.590 20 0 HFADHM COc1ccccc1C(C)(C)CNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001626114666 1079169022 /nfs/dbraw/zinc/16/90/22/1079169022.db2.gz MRHLIJWMLKKTAN-UHFFFAOYSA-N -1 3 411.433 2.590 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)c2noc(C)n2)c(Cl)cc1Cl ZINC000747264510 1079215127 /nfs/dbraw/zinc/21/51/27/1079215127.db2.gz UKQYODWVRALKDT-UHFFFAOYSA-N -1 3 408.263 2.685 20 0 HFADHM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H](O)COC(C)C ZINC000805829933 1079300365 /nfs/dbraw/zinc/30/03/65/1079300365.db2.gz UIXBXMXDCODJRU-HFTRVMKXSA-N -1 3 418.456 2.665 20 0 HFADHM Cn1cc(S(=O)(=O)[N-]C(=O)C2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000805904576 1079327868 /nfs/dbraw/zinc/32/78/68/1079327868.db2.gz UCFFCGMZSCJQIN-UHFFFAOYSA-N -1 3 411.527 2.895 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2c(C)nn(C)c2C)c(Cl)cc1Cl ZINC000747282569 1079355147 /nfs/dbraw/zinc/35/51/47/1079355147.db2.gz WDEZGAKCOFFFNX-UHFFFAOYSA-N -1 3 406.291 2.609 20 0 HFADHM COC[C@H]([N-]S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(C)o1 ZINC000747284088 1079356415 /nfs/dbraw/zinc/35/64/15/1079356415.db2.gz OUGPYSDDWFAWRF-ZDUSSCGKSA-N -1 3 406.382 2.755 20 0 HFADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)NC(=O)OCc3ccccc3)cc2)n1 ZINC000747301674 1079417744 /nfs/dbraw/zinc/41/77/44/1079417744.db2.gz KQLYSUIORCVVAR-OAHLLOKOSA-N -1 3 406.442 2.999 20 0 HFADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)OCc1ccc(F)cn1 ZINC000787604087 1076889146 /nfs/dbraw/zinc/88/91/46/1076889146.db2.gz DESBIEUNPABPDW-UHFFFAOYSA-N -1 3 407.250 2.939 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](COC)c2ccc(Cl)cc2)ccc1F ZINC000787814870 1076952247 /nfs/dbraw/zinc/95/22/47/1076952247.db2.gz HETTXKIXVZNRBS-MRXNPFEDSA-N -1 3 414.886 2.847 20 0 HFADHM CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000787842808 1076961258 /nfs/dbraw/zinc/96/12/58/1076961258.db2.gz CCLLRLMTQWJNAN-AWEZNQCLSA-N -1 3 409.454 2.587 20 0 HFADHM CCOc1cc(Br)c(CC(=O)[N-]OC[C@H]2CCOC2)cc1OCC ZINC000788116665 1077058232 /nfs/dbraw/zinc/05/82/32/1077058232.db2.gz CVOVWEINLPTIRP-LBPRGKRZSA-N -1 3 402.285 2.873 20 0 HFADHM COc1cc(-c2noc(CCC(=O)[N-]OC3CCOCC3)n2)cc(Cl)c1OC ZINC000772715196 1077072035 /nfs/dbraw/zinc/07/20/35/1077072035.db2.gz YRPSCGPTYDAXSX-UHFFFAOYSA-N -1 3 411.842 2.567 20 0 HFADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnc(Br)c(OC)c3)nc21 ZINC000788453126 1077164240 /nfs/dbraw/zinc/16/42/40/1077164240.db2.gz KDOPGOSRVSKZHK-UHFFFAOYSA-N -1 3 405.208 2.768 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2ccc(OC)cc2OC)c(C)c1Cl ZINC000788597049 1077217907 /nfs/dbraw/zinc/21/79/07/1077217907.db2.gz YJNDFDLAKOBCHV-UHFFFAOYSA-N -1 3 419.908 2.992 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@@H](C)C2)c(C)c1Cl ZINC000788597938 1077218160 /nfs/dbraw/zinc/21/81/60/1077218160.db2.gz XHFWJCRYIUDNOZ-MNOVXSKESA-N -1 3 408.973 2.895 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3C)c(C)c1Cl ZINC000788597552 1077218176 /nfs/dbraw/zinc/21/81/76/1077218176.db2.gz XIRUOMZSCQKMPY-JTQLQIEISA-N -1 3 403.913 2.586 20 0 HFADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC(O)(C(C)C)C3)ccc2C)cc1 ZINC000788616758 1077229881 /nfs/dbraw/zinc/22/98/81/1077229881.db2.gz BOYNBGSUQPXJQY-UHFFFAOYSA-N -1 3 418.515 2.647 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2F)c(C)c1Cl ZINC000788627445 1077235364 /nfs/dbraw/zinc/23/53/64/1077235364.db2.gz QIAJAVYMESSALC-LLVKDONJSA-N -1 3 407.872 2.648 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@](C)(O)c2ccsc2)c(C)c1Cl ZINC000788635157 1077239578 /nfs/dbraw/zinc/23/95/78/1077239578.db2.gz WRSXSXDPDYIIAR-AWEZNQCLSA-N -1 3 409.938 2.744 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)Cc2c(C)nn(C)c2C)c(C)c1Cl ZINC000788636121 1077240304 /nfs/dbraw/zinc/24/03/04/1077240304.db2.gz ZUDLYQJHRKRIGQ-MRVPVSSYSA-N -1 3 419.956 2.756 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2Cc3cccc(O)c3C2)c(C)c1Cl ZINC000788683267 1077249284 /nfs/dbraw/zinc/24/92/84/1077249284.db2.gz PJXBCGJNGIUABC-JTQLQIEISA-N -1 3 401.893 2.648 20 0 HFADHM C/C=C\C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)OCC ZINC000788669490 1077261561 /nfs/dbraw/zinc/26/15/61/1077261561.db2.gz NSULPFGHPHUKGU-RYWCDNDXSA-N -1 3 424.302 2.956 20 0 HFADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](C(C)C)[C@@H](O)c2ccccc2)c1F ZINC000788717105 1077269455 /nfs/dbraw/zinc/26/94/55/1077269455.db2.gz ABMZXIPKFRVEDG-MSOLQXFVSA-N -1 3 413.442 2.788 20 0 HFADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](C(C)C)[C@@H](O)c2ccccc2)c1F ZINC000788717107 1077269586 /nfs/dbraw/zinc/26/95/86/1077269586.db2.gz ABMZXIPKFRVEDG-ROUUACIJSA-N -1 3 413.442 2.788 20 0 HFADHM Cc1cc(C(=O)N2CCOCC2)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788749657 1077275864 /nfs/dbraw/zinc/27/58/64/1077275864.db2.gz ZBBOGCPVUVEZLR-UHFFFAOYSA-N -1 3 414.483 2.643 20 0 HFADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3C[C@@H](O)C(C)(C)C3)c2)c1 ZINC000791084677 1077281171 /nfs/dbraw/zinc/28/11/71/1077281171.db2.gz CXOWKIRWZFLQCR-LJQANCHMSA-N -1 3 414.458 2.505 20 0 HFADHM CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)CCc2c(C)nc(C)[n-]c2=O)cn1 ZINC000791132360 1077315016 /nfs/dbraw/zinc/31/50/16/1077315016.db2.gz GHAQLACTEFLYKN-NRFANRHFSA-N -1 3 423.517 2.710 20 0 HFADHM C[C@@H](O)C[C@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000791165169 1077322755 /nfs/dbraw/zinc/32/27/55/1077322755.db2.gz VIMVZMXJIBFBSP-UKRRQHHQSA-N -1 3 400.516 2.668 20 0 HFADHM Cn1cc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)nc1Cl ZINC000788934385 1077368379 /nfs/dbraw/zinc/36/83/79/1077368379.db2.gz IGZYXDMULOHOJP-JTQLQIEISA-N -1 3 409.726 2.938 20 0 HFADHM COCCCOC1(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCCC1 ZINC000791323200 1077374016 /nfs/dbraw/zinc/37/40/16/1077374016.db2.gz VPPHPECJORNZCD-GOSISDBHSA-N -1 3 405.491 2.906 20 0 HFADHM CC[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C(=O)OC(C)(C)C ZINC000791325237 1077374653 /nfs/dbraw/zinc/37/46/53/1077374653.db2.gz ONPPLNFJZIASBD-AWEZNQCLSA-N -1 3 403.472 2.790 20 0 HFADHM CCN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)Cc3ccc(F)cc3C)cc2)CC1 ZINC000792065146 1077673431 /nfs/dbraw/zinc/67/34/31/1077673431.db2.gz MERKBPGKPGDXKJ-UHFFFAOYSA-N -1 3 419.522 2.536 20 0 HFADHM CCOC(=O)c1cc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)[n-]n1 ZINC000792300069 1077794838 /nfs/dbraw/zinc/79/48/38/1077794838.db2.gz IASZRWZECSKXNI-CQSZACIVSA-N -1 3 420.441 2.973 20 0 HFADHM CCOC(=O)c1cc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)n[n-]1 ZINC000792300069 1077794843 /nfs/dbraw/zinc/79/48/43/1077794843.db2.gz IASZRWZECSKXNI-CQSZACIVSA-N -1 3 420.441 2.973 20 0 HFADHM CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCc2c(=O)[n-]cnc2C1)c1ccc(F)cc1 ZINC000792312237 1077802368 /nfs/dbraw/zinc/80/23/68/1077802368.db2.gz NQZZRQGPNPNVLW-INIZCTEOSA-N -1 3 416.453 2.515 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2nc(-c3cccs3)c[nH]2)ccc1F ZINC000792328953 1077809002 /nfs/dbraw/zinc/80/90/02/1077809002.db2.gz SWCWRJSCFDJTDG-UHFFFAOYSA-N -1 3 422.507 2.894 20 0 HFADHM CCS(=O)(=O)c1ccc(C[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)s1 ZINC000792497991 1077867675 /nfs/dbraw/zinc/86/76/75/1077867675.db2.gz MMXCXNRAMWSGOC-UHFFFAOYSA-N -1 3 403.428 2.642 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCCOCc2ccccc2)ccc1F ZINC000746864795 1077869035 /nfs/dbraw/zinc/86/90/35/1077869035.db2.gz ANUWFLRXDBQWKV-UHFFFAOYSA-N -1 3 408.495 2.849 20 0 HFADHM C[C@H](CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000792538749 1077893422 /nfs/dbraw/zinc/89/34/22/1077893422.db2.gz MPRFMTPWNAELAQ-VWYCJHECSA-N -1 3 413.849 2.591 20 0 HFADHM C[C@H](CC(=O)N(C)c1ccc2cc[nH]c2c1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000792572301 1077910495 /nfs/dbraw/zinc/91/04/95/1077910495.db2.gz DKBXSLTYFHIXOO-GFCCVEGCSA-N -1 3 406.895 2.936 20 0 HFADHM CC(C)COC[C@H]([N-]S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1)c1ccco1 ZINC000790014422 1077913399 /nfs/dbraw/zinc/91/33/99/1077913399.db2.gz HVZCKHCNUHCSLR-HNNXBMFYSA-N -1 3 402.513 2.532 20 0 HFADHM Cc1nc(CN2CCC([C@@H]3OCC[C@H]3[N-]C(=O)C(F)(F)F)CC2)nc2ccccc12 ZINC001170273792 1077925838 /nfs/dbraw/zinc/92/58/38/1077925838.db2.gz RJLGNCZDNSFEKM-MJGOQNOKSA-N -1 3 422.451 2.986 20 0 HFADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCCC[C@@H](C)O)c2)c1 ZINC000790082693 1077925867 /nfs/dbraw/zinc/92/58/67/1077925867.db2.gz DAZAWCMRNKAZTE-CYBMUJFWSA-N -1 3 402.447 2.553 20 0 HFADHM O=C(NCc1ncccc1[O-])c1ccc2c(=O)n(-c3ccccc3F)c(=S)[nH]c2c1 ZINC000792611698 1077938070 /nfs/dbraw/zinc/93/80/70/1077938070.db2.gz IOSFVVGGICRAAF-UHFFFAOYSA-N -1 3 422.441 2.844 20 0 HFADHM O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1ncccc1[O-] ZINC000792611701 1077938076 /nfs/dbraw/zinc/93/80/76/1077938076.db2.gz IQBMZUHHHCJCKA-UHFFFAOYSA-N -1 3 403.438 2.942 20 0 HFADHM O=C(NC[C@@H]1CCN1C1CCCC1)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC001170348334 1077955382 /nfs/dbraw/zinc/95/53/82/1077955382.db2.gz MKWQGFINLMPAME-ZDUSSCGKSA-N -1 3 405.442 2.695 20 0 HFADHM COC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000790192521 1077967325 /nfs/dbraw/zinc/96/73/25/1077967325.db2.gz VDRPVCUKFDSIAY-VIFPVBQESA-N -1 3 411.705 2.612 20 0 HFADHM CCC[C@H](CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)OCC ZINC000790267801 1077991174 /nfs/dbraw/zinc/99/11/74/1077991174.db2.gz JTKFVMLCDQZDFX-CQSZACIVSA-N -1 3 416.515 2.612 20 0 HFADHM CCOC(=O)[C@@H](Cc1cccc2ccccc21)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000792783517 1078000126 /nfs/dbraw/zinc/00/01/26/1078000126.db2.gz TXTCENCLQCAJLQ-OXQOHEQNSA-N -1 3 405.516 2.660 20 0 HFADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000790392553 1078013703 /nfs/dbraw/zinc/01/37/03/1078013703.db2.gz IVMPPJNHVHPPAT-YADHBBJMSA-N -1 3 420.513 2.947 20 0 HFADHM C[C@]1(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792887763 1078017397 /nfs/dbraw/zinc/01/73/97/1078017397.db2.gz BOXGOYMJTHYHRZ-NRFANRHFSA-N -1 3 406.446 2.854 20 0 HFADHM C[C@]1(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792887763 1078017401 /nfs/dbraw/zinc/01/74/01/1078017401.db2.gz BOXGOYMJTHYHRZ-NRFANRHFSA-N -1 3 406.446 2.854 20 0 HFADHM Cn1[n-]cc2c(=NC(=O)N3CCC(c4nc(-c5ccccc5)n[nH]4)CC3)ccnc1-2 ZINC000806492952 1079744151 /nfs/dbraw/zinc/74/41/51/1079744151.db2.gz RHKFNQDSKDQIFB-UHFFFAOYSA-N -1 3 402.462 2.538 20 0 HFADHM Cn1[n-]cc2c(=NC(=O)N3CCC(c4nnc(-c5ccccc5)[nH]4)CC3)ccnc1-2 ZINC000806492952 1079744157 /nfs/dbraw/zinc/74/41/57/1079744157.db2.gz RHKFNQDSKDQIFB-UHFFFAOYSA-N -1 3 402.462 2.538 20 0 HFADHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc(Br)ncc2Cl)s1 ZINC000807147768 1080302931 /nfs/dbraw/zinc/30/29/31/1080302931.db2.gz IYIZSPPHZMVOTF-UHFFFAOYSA-N -1 3 405.661 2.707 20 0 HFADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)cc2)C[C@@H](C)O1 ZINC000747407091 1080798740 /nfs/dbraw/zinc/79/87/40/1080798740.db2.gz DXMOTTBJILSUBO-HUUCEWRRSA-N -1 3 415.515 2.620 20 0 HFADHM COc1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1OC1CCCC1 ZINC000747406915 1080799307 /nfs/dbraw/zinc/79/93/07/1080799307.db2.gz LXXANGHTHFRCOE-UHFFFAOYSA-N -1 3 415.475 2.793 20 0 HFADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)OC4)cc2)C[C@H](C)O1 ZINC000747408095 1080805048 /nfs/dbraw/zinc/80/50/48/1080805048.db2.gz NYWHXHSDLIYCHX-OKILXGFUSA-N -1 3 402.472 2.771 20 0 HFADHM COc1cc(Br)ccc1CN[C@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000426724385 1126082927 /nfs/dbraw/zinc/08/29/27/1126082927.db2.gz RXEBDBCDIYYPQW-LLVKDONJSA-N -1 3 422.201 2.916 20 0 HFADHM COc1ccc(CN[C@@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])c(Br)c1O ZINC000426773611 1126089639 /nfs/dbraw/zinc/08/96/39/1126089639.db2.gz QACGBCKXSJQMRT-LBPRGKRZSA-N -1 3 424.247 2.678 20 0 HFADHM O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)NCc1sccc1Br ZINC000426744565 1126086149 /nfs/dbraw/zinc/08/61/49/1126086149.db2.gz DCAANGJECCZZAV-CQSZACIVSA-N -1 3 407.293 2.877 20 0 HFADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001164764423 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O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCC(F)(F)CC1 ZINC000794291833 1078402529 /nfs/dbraw/zinc/40/25/29/1078402529.db2.gz FNLDLTOJUOGFFO-UHFFFAOYSA-N -1 3 401.262 2.920 20 0 HFADHM CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000804652894 1078482001 /nfs/dbraw/zinc/48/20/01/1078482001.db2.gz LHEJXWBMCKIIGY-HNNXBMFYSA-N -1 3 404.463 2.984 20 0 HFADHM CCS(=O)(=O)Nc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1OC ZINC000747210484 1078594805 /nfs/dbraw/zinc/59/48/05/1078594805.db2.gz OPVRONWMUKDSQI-UHFFFAOYSA-N -1 3 408.480 2.637 20 0 HFADHM CN(C)Cc1csc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)n1 ZINC001129622267 1078596637 /nfs/dbraw/zinc/59/66/37/1078596637.db2.gz ONGKTRHWONISJA-UHFFFAOYSA-N -1 3 414.578 2.693 20 0 HFADHM COC[C@@]1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCN1C(=O)OC(C)(C)C ZINC000804788667 1078643378 /nfs/dbraw/zinc/64/33/78/1078643378.db2.gz RDBBOOSTJVXARC-QFIPXVFZSA-N -1 3 415.490 2.674 20 0 HFADHM COC[C@@]1(CNC(=O)c2c[n-]c3ccccc3c2=O)CCCN1C(=O)OC(C)(C)C ZINC000804789946 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/nfs/dbraw/zinc/25/16/98/1079251698.db2.gz VXEVYEWGQFJICC-NSHDSACASA-N -1 3 409.335 2.933 20 0 HFADHM C[C@H]1CCN(C[C@@H](O)COc2ccccc2Cl)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805787506 1079253993 /nfs/dbraw/zinc/25/39/93/1079253993.db2.gz RGQNOJOPUQORLM-JFILPPLUSA-N -1 3 408.848 2.857 20 0 HFADHM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H](O)CSC ZINC000805829801 1079298162 /nfs/dbraw/zinc/29/81/62/1079298162.db2.gz PJTBVCLQFULFGD-INWMFGNUSA-N -1 3 406.470 2.603 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)OC)C(C)(C)C)c(Cl)cc1Cl ZINC000747274925 1079308909 /nfs/dbraw/zinc/30/89/09/1079308909.db2.gz WCUSRLUHJIJLNF-GFCCVEGCSA-N -1 3 412.291 2.646 20 0 HFADHM COCCc1ccccc1NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000787366112 1076774668 /nfs/dbraw/zinc/77/46/68/1076774668.db2.gz JYNNUGJGDAIVNL-CYBMUJFWSA-N -1 3 411.911 2.620 20 0 HFADHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000746687821 1076836574 /nfs/dbraw/zinc/83/65/74/1076836574.db2.gz KSQHADINBGFODS-DOTOQJQBSA-N -1 3 408.527 2.637 20 0 HFADHM O=C(N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1nnc2ccccc2c1[O-] ZINC000787535886 1076851916 /nfs/dbraw/zinc/85/19/16/1076851916.db2.gz AQSOZZHDDDWGRV-KRWDZBQOSA-N -1 3 412.396 2.535 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]CCOc2ncccc2F)c(Cl)cc1Cl ZINC000746691159 1076859889 /nfs/dbraw/zinc/85/98/89/1076859889.db2.gz VWOOTTUBRYQYJE-UHFFFAOYSA-N -1 3 423.249 2.671 20 0 HFADHM Cc1cc(C)c(NC(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)cc1CO ZINC000787565757 1076866317 /nfs/dbraw/zinc/86/63/17/1076866317.db2.gz AHEYVLPEMCZBGS-ZDUSSCGKSA-N -1 3 411.911 2.540 20 0 HFADHM Cc1nc(C)c(CC(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)c(=O)[n-]1 ZINC000787789547 1076946651 /nfs/dbraw/zinc/94/66/51/1076946651.db2.gz FWVGYHJTHVNSLY-UHFFFAOYSA-N -1 3 412.490 2.507 20 0 HFADHM C[C@H]1Oc2ccc(C(=O)COC(=O)CCCc3ccc([O-])c(F)c3)cc2NC1=O ZINC000787843473 1076960984 /nfs/dbraw/zinc/96/09/84/1076960984.db2.gz GEBQPNKNLZKAPP-GFCCVEGCSA-N -1 3 401.390 3.000 20 0 HFADHM 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CCOC(=O)c1nc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c[n-]1 ZINC000793960875 1078348141 /nfs/dbraw/zinc/34/81/41/1078348141.db2.gz VUQLSJOJCPNMLX-CQSZACIVSA-N -1 3 402.451 2.661 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)[n-]1 ZINC000793963271 1078348289 /nfs/dbraw/zinc/34/82/89/1078348289.db2.gz JAQJPTUONSCTEO-HXUWFJFHSA-N -1 3 402.451 2.965 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)c[n-]1 ZINC000793963271 1078348293 /nfs/dbraw/zinc/34/82/93/1078348293.db2.gz JAQJPTUONSCTEO-HXUWFJFHSA-N -1 3 402.451 2.965 20 0 HFADHM CSCCO[N-]C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000794183595 1078382403 /nfs/dbraw/zinc/38/24/03/1078382403.db2.gz MGUJFJCINGQXNO-GFCCVEGCSA-N -1 3 406.291 2.609 20 0 HFADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)c(Cl)cc1Cl ZINC000794226808 1078388001 /nfs/dbraw/zinc/38/80/01/1078388001.db2.gz MHKBTJQKYCWJKU-DVIHMLIVSA-N -1 3 421.346 2.835 20 0 HFADHM CON(Cc1ccccc1Cl)C(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000794339358 1078419810 /nfs/dbraw/zinc/41/98/10/1078419810.db2.gz KJLDFMPTXXQHOC-UHFFFAOYSA-N -1 3 403.797 2.731 20 0 HFADHM CON(Cc1ccccc1Cl)C(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000794339358 1078419812 /nfs/dbraw/zinc/41/98/12/1078419812.db2.gz KJLDFMPTXXQHOC-UHFFFAOYSA-N -1 3 403.797 2.731 20 0 HFADHM COC(=O)c1ccc(S(C)(=O)=O)cc1[N-]C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC001129486580 1078506976 /nfs/dbraw/zinc/50/69/76/1078506976.db2.gz QGZPFKJLFGBMHD-UHFFFAOYSA-N -1 3 418.402 2.923 20 0 HFADHM O=C([N-]c1c(F)cc(I)cc1F)c1cnn2cccnc12 ZINC001129856725 1078536391 /nfs/dbraw/zinc/53/63/91/1078536391.db2.gz YEKLAWBNNMHOHY-UHFFFAOYSA-N -1 3 400.126 2.864 20 0 HFADHM COC[C@]1(CNC(=O)c2c[n-]c3ccccc3c2=O)CCCN1C(=O)OC(C)(C)C ZINC000804789945 1078647950 /nfs/dbraw/zinc/64/79/50/1078647950.db2.gz VIHAKFVSMPFOQN-JOCHJYFZSA-N -1 3 415.490 2.674 20 0 HFADHM CC(C)(C)OC(=O)N1CCC([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000804954922 1078796099 /nfs/dbraw/zinc/79/60/99/1078796099.db2.gz KROTXDSGFUGDLM-UHFFFAOYSA-N -1 3 409.430 2.778 20 0 HFADHM CC(C)(C)OC(=O)N1CCC(C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000804979835 1078814747 /nfs/dbraw/zinc/81/47/47/1078814747.db2.gz JELICEWBSGMNLH-UHFFFAOYSA-N -1 3 407.895 2.800 20 0 HFADHM O=C1[C@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCCN1Cc1ccccc1 ZINC000805050151 1078864499 /nfs/dbraw/zinc/86/44/99/1078864499.db2.gz FKAOOCCBGHWMLJ-CQSZACIVSA-N -1 3 413.421 2.570 20 0 HFADHM COC(=O)CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805052248 1078866018 /nfs/dbraw/zinc/86/60/18/1078866018.db2.gz VQIBJOJYMHFRTA-CYBMUJFWSA-N -1 3 400.859 2.717 20 0 HFADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805121704 1078904847 /nfs/dbraw/zinc/90/48/47/1078904847.db2.gz IDGVQSLYMSHIKB-CQSZACIVSA-N -1 3 421.368 2.643 20 0 HFADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C)CCOCc1ccccc1 ZINC000805146972 1078944659 /nfs/dbraw/zinc/94/46/59/1078944659.db2.gz GQBCDJJCIBMPHE-CYBMUJFWSA-N -1 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O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)C1CCN(Cc2ccccc2)CC1 ZINC000805900856 1079326572 /nfs/dbraw/zinc/32/65/72/1079326572.db2.gz WSCQTNVLIXDPMH-UHFFFAOYSA-N -1 3 408.470 2.823 20 0 HFADHM CC1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)CCN(Cc2ccccc2)CC1 ZINC000805909783 1079329096 /nfs/dbraw/zinc/32/90/96/1079329096.db2.gz HAFAGRJSEHJIEG-UHFFFAOYSA-N -1 3 414.527 2.824 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)c2cnn(C)c2)c(Cl)cc1Cl ZINC000747277980 1079340650 /nfs/dbraw/zinc/34/06/50/1079340650.db2.gz GKWMMNQSEDDCPY-UHFFFAOYSA-N -1 3 406.291 2.727 20 0 HFADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000747284012 1079355508 /nfs/dbraw/zinc/35/55/08/1079355508.db2.gz MGZCNQYMMHDBQV-MRXNPFEDSA-N -1 3 414.886 2.847 20 0 HFADHM CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NCc3ccc([O-])c(F)c3)[nH]n2)C1 ZINC000787449131 1076815966 /nfs/dbraw/zinc/81/59/66/1076815966.db2.gz JEGNUDBLZAZPFC-ZDUSSCGKSA-N -1 3 404.442 2.909 20 0 HFADHM Cn1cc(S(=O)(=O)[N-]C(C)(C)COc2ccc(C(F)(F)F)cn2)nc1Cl 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SWNLBEMVTFBXKZ-UHFFFAOYSA-N -1 3 424.432 2.975 20 0 HFADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000787846936 1076962967 /nfs/dbraw/zinc/96/29/67/1076962967.db2.gz AZEXXTZBPDXIFX-ZDUSSCGKSA-N -1 3 423.462 2.828 20 0 HFADHM CCOC(=O)c1nnc(CNC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)[n-]1 ZINC000787907416 1076989771 /nfs/dbraw/zinc/98/97/71/1076989771.db2.gz ZZDHTZSYNSNXNY-SFHVURJKSA-N -1 3 418.457 2.605 20 0 HFADHM CN1CCN(c2ccc(NC(=O)c3c([O-])cccc3O)cc2Br)CC1 ZINC000788015099 1077029407 /nfs/dbraw/zinc/02/94/07/1077029407.db2.gz BPHIIZLQPCWGIF-UHFFFAOYSA-N -1 3 406.280 2.864 20 0 HFADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCc2ccccc2OC(F)F)c1F ZINC000788073987 1077053220 /nfs/dbraw/zinc/05/32/20/1077053220.db2.gz GUNGDQKACCQGNU-UHFFFAOYSA-N -1 3 421.368 2.874 20 0 HFADHM COc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000772711717 1077053705 /nfs/dbraw/zinc/05/37/05/1077053705.db2.gz SAQAWBVFAYHXCG-AWEZNQCLSA-N -1 3 404.257 2.609 20 0 HFADHM O=C(CCc1nc(-c2cc(Br)cs2)no1)[N-]OC1CCOCC1 ZINC000772719804 1077170271 /nfs/dbraw/zinc/17/02/71/1077170271.db2.gz VZOXWVCCRZBULM-UHFFFAOYSA-N -1 3 402.270 2.720 20 0 HFADHM CC(C)(C)OC(=O)NC1(C(=O)OCC(=O)[N-]C(=O)c2cccs2)CCCCC1 ZINC000746749163 1077194101 /nfs/dbraw/zinc/19/41/01/1077194101.db2.gz AWAHCZSMKYEZCR-UHFFFAOYSA-N -1 3 410.492 2.775 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2cc(OC)ccc2OC)c(C)c1Cl ZINC000788592968 1077215882 /nfs/dbraw/zinc/21/58/82/1077215882.db2.gz QTSRLTNLKJBGEQ-UHFFFAOYSA-N -1 3 419.908 2.992 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](C)N2CCC[C@@H](C)C2)c(C)c1Cl ZINC000788597937 1077218201 /nfs/dbraw/zinc/21/82/01/1077218201.db2.gz XHFWJCRYIUDNOZ-GHMZBOCLSA-N -1 3 408.973 2.895 20 0 HFADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCCC3)O2)c1F ZINC000790920975 1077232184 /nfs/dbraw/zinc/23/21/84/1077232184.db2.gz HZARCKDSPPUDRG-LBPRGKRZSA-N -1 3 403.447 2.912 20 0 HFADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCCC3)O2)c1F ZINC000790920953 1077232208 /nfs/dbraw/zinc/23/22/08/1077232208.db2.gz HZARCKDSPPUDRG-GFCCVEGCSA-N -1 3 403.447 2.912 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@](C)(O)c2ccsc2)c(C)c1Cl ZINC000788635167 1077239607 /nfs/dbraw/zinc/23/96/07/1077239607.db2.gz WRSXSXDPDYIIAR-CQSZACIVSA-N -1 3 409.938 2.744 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)OC)c(C)c1Cl ZINC000788634721 1077239876 /nfs/dbraw/zinc/23/98/76/1077239876.db2.gz KFNPYNHKECILFR-SNVBAGLBSA-N -1 3 411.929 2.610 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CC2(SC)CCOCC2)c(C)c1Cl ZINC000788635695 1077240586 /nfs/dbraw/zinc/24/05/86/1077240586.db2.gz DUDNMMWZVMUWNR-UHFFFAOYSA-N -1 3 413.970 2.687 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)[C@H](O)Cc2ccccc2)c(C)c1Cl ZINC000788654024 1077253596 /nfs/dbraw/zinc/25/35/96/1077253596.db2.gz LOVZBHNJIOHNNC-WCQYABFASA-N -1 3 417.936 2.767 20 0 HFADHM C/C=C/C[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)OCC ZINC000788666889 1077260388 /nfs/dbraw/zinc/26/03/88/1077260388.db2.gz BMODOJQBOPGQDB-STUBTGCMSA-N -1 3 409.913 2.673 20 0 HFADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](C(C)C)[C@H](O)c2ccccc2)c1F ZINC000788717108 1077269479 /nfs/dbraw/zinc/26/94/79/1077269479.db2.gz ABMZXIPKFRVEDG-ZWKOTPCHSA-N -1 3 413.442 2.788 20 0 HFADHM CN(C)[C@@H]1CCOc2c(NC(=O)Cn3c(=O)c4ccccc4[n-]c3=S)cccc21 ZINC000791039127 1077279611 /nfs/dbraw/zinc/27/96/11/1077279611.db2.gz MYBLCCXAWTVHDG-QGZVFWFLSA-N -1 3 410.499 2.709 20 0 HFADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](O)C(C)(C)C2)c(Cl)cc1Cl ZINC000791086574 1077281189 /nfs/dbraw/zinc/28/11/89/1077281189.db2.gz RSOJRJKVHZPDNG-OAHLLOKOSA-N -1 3 423.362 2.771 20 0 HFADHM C[C@](CNC(=O)[C@H]1CC1(Cl)Cl)([N-]C(=O)[C@H]1CC1(Cl)Cl)C(F)(F)F ZINC000791075094 1077290926 /nfs/dbraw/zinc/29/09/26/1077290926.db2.gz DCORJTFTRQDYME-HCVRKRLWSA-N -1 3 416.054 2.927 20 0 HFADHM CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)c2nnc3ccccc3c2[O-])cn1 ZINC000791131636 1077314531 /nfs/dbraw/zinc/31/45/31/1077314531.db2.gz CXHRURXOAYRODN-HXUWFJFHSA-N -1 3 417.469 2.928 20 0 HFADHM CC(Cl)(Cl)C(=O)[N-]CC(=O)Nc1ccc(I)cc1 ZINC000791168362 1077324746 /nfs/dbraw/zinc/32/47/46/1077324746.db2.gz QDBGMNDRVYPZNO-UHFFFAOYSA-N -1 3 401.031 2.540 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@H](C)COc3ccccc3)c2)[n-]1 ZINC000788889457 1077332633 /nfs/dbraw/zinc/33/26/33/1077332633.db2.gz UTNOMAYCDHOFPB-OAHLLOKOSA-N -1 3 423.473 2.915 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@H](C)COc3ccccc3)c2)n[n-]1 ZINC000788889457 1077332640 /nfs/dbraw/zinc/33/26/40/1077332640.db2.gz UTNOMAYCDHOFPB-OAHLLOKOSA-N -1 3 423.473 2.915 20 0 HFADHM C[C@@]12CCN(C(=O)c3ccc(F)c(S(=O)(=O)[N-]C4CC4)c3)C[C@@H]1C2(Cl)Cl ZINC000791205405 1077342880 /nfs/dbraw/zinc/34/28/80/1077342880.db2.gz GQBUWHIWPAXNKW-GOEBONIOSA-N -1 3 421.321 2.922 20 0 HFADHM O=C1[C@@H]([N-]S(=O)(=O)C2=Cc3ccccc3OC2)CCN1c1ccc(Cl)cc1 ZINC000788898790 1077344659 /nfs/dbraw/zinc/34/46/59/1077344659.db2.gz CKJNOBRPICCVDM-KRWDZBQOSA-N -1 3 404.875 2.798 20 0 HFADHM C[C@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)c1ccccc1Br ZINC000789047999 1077388274 /nfs/dbraw/zinc/38/82/74/1077388274.db2.gz UOFGYOKTPZLJGD-VIFPVBQESA-N -1 3 402.200 2.761 20 0 HFADHM C[C@@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)c1ccccc1Br ZINC000789072253 1077396942 /nfs/dbraw/zinc/39/69/42/1077396942.db2.gz HAUDTAFZEVSKFK-QMTHXVAHSA-N -1 3 420.325 2.527 20 0 HFADHM CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000772729621 1077404126 /nfs/dbraw/zinc/40/41/26/1077404126.db2.gz OPGLAZVETATHLK-GOSISDBHSA-N -1 3 420.506 2.680 20 0 HFADHM C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000789212266 1077465392 /nfs/dbraw/zinc/46/53/92/1077465392.db2.gz GSLZHRSSFQGRSY-SNVBAGLBSA-N -1 3 412.372 2.683 20 0 HFADHM CC(C)(C)OC(=O)N(CCCNC(=O)NCc1ncccc1[O-])Cc1cccnc1 ZINC000792077510 1077683546 /nfs/dbraw/zinc/68/35/46/1077683546.db2.gz UZPBGWGURVOBAO-UHFFFAOYSA-N -1 3 415.494 2.809 20 0 HFADHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2c(C)ccnc2Br)c1 ZINC000789736336 1077743113 /nfs/dbraw/zinc/74/31/13/1077743113.db2.gz YUKXKRTUOHNBEA-UHFFFAOYSA-N -1 3 403.229 2.879 20 0 HFADHM Cc1nn2cc(S(=O)(=O)[N-]c3c(C)ccnc3Br)cnc2c1Cl ZINC000789736208 1077743225 /nfs/dbraw/zinc/74/32/25/1077743225.db2.gz UPXDQPBEOCXYNN-UHFFFAOYSA-N -1 3 416.688 2.958 20 0 HFADHM CCOC(=O)c1cc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)[n-]n1 ZINC000792300067 1077794785 /nfs/dbraw/zinc/79/47/85/1077794785.db2.gz IASZRWZECSKXNI-AWEZNQCLSA-N -1 3 420.441 2.973 20 0 HFADHM CCOC(=O)c1cc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)n[n-]1 ZINC000792300067 1077794787 /nfs/dbraw/zinc/79/47/87/1077794787.db2.gz IASZRWZECSKXNI-AWEZNQCLSA-N -1 3 420.441 2.973 20 0 HFADHM CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCc2c(=O)[n-]cnc2C1)c1ccc(F)cc1 ZINC000792312238 1077802515 /nfs/dbraw/zinc/80/25/15/1077802515.db2.gz NQZZRQGPNPNVLW-MRXNPFEDSA-N -1 3 416.453 2.515 20 0 HFADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000789807042 1077807383 /nfs/dbraw/zinc/80/73/83/1077807383.db2.gz TWFUXRFTEVJHLQ-UHFFFAOYSA-N -1 3 414.462 2.784 20 0 HFADHM CN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789885491 1077835968 /nfs/dbraw/zinc/83/59/68/1077835968.db2.gz QHCPTFAODMZMCC-GOSISDBHSA-N -1 3 411.408 2.679 20 0 HFADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccn(CC(F)F)n1 ZINC000789934981 1077858594 /nfs/dbraw/zinc/85/85/94/1077858594.db2.gz JLXNMCMIYAEJOZ-UHFFFAOYSA-N -1 3 412.340 2.791 20 0 HFADHM C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1 ZINC000792412907 1077860956 /nfs/dbraw/zinc/86/09/56/1077860956.db2.gz GQIZGRVNRRXCOI-ZDUSSCGKSA-N -1 3 414.462 2.628 20 0 HFADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC3OCCO3)ccc2C)cc1 ZINC000789941847 1077861450 /nfs/dbraw/zinc/86/14/50/1077861450.db2.gz MQFPWYQUZGOIFM-UHFFFAOYSA-N -1 3 420.487 2.896 20 0 HFADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000792527962 1077887597 /nfs/dbraw/zinc/88/75/97/1077887597.db2.gz FWBIUVWUAQNPIP-UHFFFAOYSA-N -1 3 400.460 2.952 20 0 HFADHM COc1cc(Cl)c(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)cc1C(=O)[O-] ZINC000792583473 1077918264 /nfs/dbraw/zinc/91/82/64/1077918264.db2.gz CUCZLBHIIHCCMQ-UHFFFAOYSA-N -1 3 404.916 2.540 20 0 HFADHM O=C(CCN1CCOCC1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000790069917 1077921406 /nfs/dbraw/zinc/92/14/06/1077921406.db2.gz ZQZGOTDNRUVXLF-UHFFFAOYSA-N -1 3 423.922 2.802 20 0 HFADHM COc1ccccc1NC(=O)Cc1nc(COC(=O)c2cccc3nn[n-]c32)cs1 ZINC000790075933 1077923866 /nfs/dbraw/zinc/92/38/66/1077923866.db2.gz LZMYZADGCRLWKR-UHFFFAOYSA-N -1 3 423.454 2.961 20 0 HFADHM COc1ccccc1NC(=O)Cc1nc(COC(=O)c2cccc3[n-]nnc32)cs1 ZINC000790075933 1077923869 /nfs/dbraw/zinc/92/38/69/1077923869.db2.gz LZMYZADGCRLWKR-UHFFFAOYSA-N -1 3 423.454 2.961 20 0 HFADHM COc1ccccc1NC(=O)Cc1nc(COC(=O)c2cccc3n[n-]nc32)cs1 ZINC000790075933 1077923870 /nfs/dbraw/zinc/92/38/70/1077923870.db2.gz LZMYZADGCRLWKR-UHFFFAOYSA-N -1 3 423.454 2.961 20 0 HFADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1nc(Br)ccc1O ZINC000790047128 1077928163 /nfs/dbraw/zinc/92/81/63/1077928163.db2.gz WVYUNSGTOHJONY-UHFFFAOYSA-N -1 3 404.224 2.667 20 0 HFADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)c1OC ZINC000790140961 1077955319 /nfs/dbraw/zinc/95/53/19/1077955319.db2.gz WOTBOGWXUSMGPK-SSDOTTSWSA-N -1 3 402.683 2.607 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccc4c(c3)CCN4C)c2)[n-]1 ZINC000790159722 1077962248 /nfs/dbraw/zinc/96/22/48/1077962248.db2.gz JQADTQBDOSRDLI-UHFFFAOYSA-N -1 3 405.458 2.571 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccc4c(c3)CCN4C)c2)n[n-]1 ZINC000790159722 1077962251 /nfs/dbraw/zinc/96/22/51/1077962251.db2.gz JQADTQBDOSRDLI-UHFFFAOYSA-N -1 3 405.458 2.571 20 0 HFADHM O=C(Nc1ccccc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000792761586 1077988070 /nfs/dbraw/zinc/98/80/70/1077988070.db2.gz ZSMKWPBARQIHIW-ICSRJNTNSA-N -1 3 402.516 2.582 20 0 HFADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)n[nH]1 ZINC000792782577 1078000266 /nfs/dbraw/zinc/00/02/66/1078000266.db2.gz GYPXQBULGYTDSL-MNOVXSKESA-N -1 3 413.931 2.713 20 0 HFADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000790392550 1078013793 /nfs/dbraw/zinc/01/37/93/1078013793.db2.gz IVMPPJNHVHPPAT-VXKWHMMOSA-N -1 3 420.513 2.947 20 0 HFADHM C[C@@]12CCN(S(=O)(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)C[C@@H]1C2(Cl)Cl ZINC000790368874 1078016145 /nfs/dbraw/zinc/01/61/45/1078016145.db2.gz LSWICSCPVRXXQW-WCQYABFASA-N -1 3 422.725 2.725 20 0 HFADHM C[C@@]12CCN(S(=O)(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)C[C@@H]1C2(Cl)Cl ZINC000790368874 1078016151 /nfs/dbraw/zinc/01/61/51/1078016151.db2.gz LSWICSCPVRXXQW-WCQYABFASA-N -1 3 422.725 2.725 20 0 HFADHM CC(C)(C)OC(=O)NC/C=C\C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000790439067 1078031245 /nfs/dbraw/zinc/03/12/45/1078031245.db2.gz ZMUOCFMNIUNWBR-PLNGDYQASA-N -1 3 423.304 2.947 20 0 HFADHM Cc1nc(C)c(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)c(=O)[n-]1 ZINC001170506948 1079634067 /nfs/dbraw/zinc/63/40/67/1079634067.db2.gz AHDVOBZSZJABHH-HNNXBMFYSA-N -1 3 406.527 2.883 20 0 HFADHM O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000806370197 1079656296 /nfs/dbraw/zinc/65/62/96/1079656296.db2.gz RFAARYHHIYPJMP-UHFFFAOYSA-N -1 3 411.408 2.972 20 0 HFADHM O=C(COCc1ccccn1)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000806919974 1080089718 /nfs/dbraw/zinc/08/97/18/1080089718.db2.gz VZDWJFJWGKDDAE-UHFFFAOYSA-N -1 3 403.866 2.835 20 0 HFADHM CC1(C)CN(C2(CNC(=O)CSc3n[n-]c(=S)s3)CCCCC2)CCO1 ZINC000747385796 1080456539 /nfs/dbraw/zinc/45/65/39/1080456539.db2.gz CPMYVWHRYZZELS-UHFFFAOYSA-N -1 3 416.638 2.849 20 0 HFADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc2)C[C@H](C)O1 ZINC000747408012 1080811733 /nfs/dbraw/zinc/81/17/33/1080811733.db2.gz LIBPFPHCCOJXQD-OKILXGFUSA-N -1 3 401.488 2.596 20 0 HFADHM Cc1cnn(C[C@@H](NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C(=O)[O-])c1 ZINC000426720604 1126082155 /nfs/dbraw/zinc/08/21/55/1126082155.db2.gz NWKCKRUPWRQLFQ-QGZVFWFLSA-N -1 3 407.396 2.698 20 0 HFADHM O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)NCc1ccc(Br)cc1F ZINC000426760324 1126088600 /nfs/dbraw/zinc/08/86/00/1126088600.db2.gz ZPZJVKSGCYQJKS-QGZVFWFLSA-N -1 3 419.254 2.954 20 0 HFADHM O=C([C@@H]1C[C@@H]2OCC[C@H]2N(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C1)N1CCCC1 ZINC001164678353 719541028 /nfs/dbraw/zinc/54/10/28/719541028.db2.gz KIHOOSYMDNCUEI-UTUOFQBUSA-N -1 3 418.897 2.570 20 0 HFADHM O=C([O-])[C@@H](NC(=O)NCCCN1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000780392244 939113976 /nfs/dbraw/zinc/11/39/76/939113976.db2.gz LKYYFMCYFFJJLG-NRFANRHFSA-N -1 3 416.566 2.527 20 0 HFADHM COc1cccc([C@H](CNC(=O)NC2(C(=O)[O-])Cc3ccccc3C2)N2CCCC2)c1 ZINC001119574207 939813216 /nfs/dbraw/zinc/81/32/16/939813216.db2.gz RIGDBMXBYTTWMR-NRFANRHFSA-N -1 3 423.513 2.754 20 0 HFADHM CC(C)NC(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001123271959 939818454 /nfs/dbraw/zinc/81/84/54/939818454.db2.gz VHUOANCXIJYIEV-DEOSSOPVSA-N -1 3 423.513 2.674 20 0 HFADHM NS(=O)(=O)c1ccc(CCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000746922646 1078055516 /nfs/dbraw/zinc/05/55/16/1078055516.db2.gz JYFOBNHEWFPJTC-UHFFFAOYSA-N -1 3 402.394 2.533 20 0 HFADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OC[C@@H]1CC(=O)N(C)C1 ZINC000772757056 1078059831 /nfs/dbraw/zinc/05/98/31/1078059831.db2.gz FEDGMFDFOARTCZ-CQSZACIVSA-N -1 3 420.462 2.570 20 0 HFADHM O=S(=O)([N-]c1ccc(-n2cncn2)cn1)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000790649004 1078093270 /nfs/dbraw/zinc/09/32/70/1078093270.db2.gz YCGTXXWKJWJZLA-UHFFFAOYSA-N -1 3 419.413 2.993 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c(cccc3C(F)(F)F)C2)ccc1F ZINC001170428350 1078104141 /nfs/dbraw/zinc/10/41/41/1078104141.db2.gz VFPWSVDCIBHTRX-UHFFFAOYSA-N -1 3 416.396 2.951 20 0 HFADHM CNC(=O)c1cc(Oc2cccc(NC=C3C(=O)[N-]C(=O)c4ccccc43)c2)ccn1 ZINC000793674443 1078249353 /nfs/dbraw/zinc/24/93/53/1078249353.db2.gz RWCMWUGBTAFJIS-CPNJWEJPSA-N -1 3 414.421 2.957 20 0 HFADHM Cc1nc(SC(F)F)sc1CC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000793683033 1078253393 /nfs/dbraw/zinc/25/33/93/1078253393.db2.gz VBGWNLLXUNISPL-UHFFFAOYSA-N -1 3 401.460 2.561 20 0 HFADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@](C)(CO)C(C)C)c2)c1 ZINC000793772831 1078307599 /nfs/dbraw/zinc/30/75/99/1078307599.db2.gz YWORYRDMHKEPGM-JOCHJYFZSA-N -1 3 416.474 2.799 20 0 HFADHM Cn1c(=O)n(C)c2cc(NC(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)c([O-])cc21 ZINC000794212904 1078394066 /nfs/dbraw/zinc/39/40/66/1078394066.db2.gz WEHFURFTVWNXQX-OAHLLOKOSA-N -1 3 410.257 2.952 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2C[C@@H](C)O)ccc1F ZINC000804450911 1078487735 /nfs/dbraw/zinc/48/77/35/1078487735.db2.gz RBDJWRJSHMYTMS-ZBFHGGJFSA-N -1 3 400.516 2.668 20 0 HFADHM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1 ZINC000804467527 1078531740 /nfs/dbraw/zinc/53/17/40/1078531740.db2.gz DXGVTUCHPDVTIN-BUXKBTBVSA-N -1 3 424.469 2.566 20 0 HFADHM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000804488210 1078547261 /nfs/dbraw/zinc/54/72/61/1078547261.db2.gz AEDPHSNSHDIXTQ-LIRRHRJNSA-N -1 3 408.495 2.673 20 0 HFADHM CC(C)(C)OC(=O)NCc1ncc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC001129732740 1078680866 /nfs/dbraw/zinc/68/08/66/1078680866.db2.gz PHUJXOAWVGBNGI-UHFFFAOYSA-N -1 3 419.442 2.739 20 0 HFADHM Cc1noc([C@H]2CCCCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000804859006 1078685449 /nfs/dbraw/zinc/68/54/49/1078685449.db2.gz MIBIXQQELOSNHB-OAHLLOKOSA-N -1 3 424.498 2.961 20 0 HFADHM CCc1ccc([O-])c(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)OC)c1 ZINC000804887721 1078716345 /nfs/dbraw/zinc/71/63/45/1078716345.db2.gz NSFRGGHUQRFJNA-INIZCTEOSA-N -1 3 406.479 2.579 20 0 HFADHM CC(C)Oc1ccc([C@H](O)C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000805012137 1078823651 /nfs/dbraw/zinc/82/36/51/1078823651.db2.gz DPYIEADHSWUKAJ-CQSZACIVSA-N -1 3 404.410 2.900 20 0 HFADHM CC(C)(C)OC(=O)NC[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CC1 ZINC000805014599 1078824821 /nfs/dbraw/zinc/82/48/21/1078824821.db2.gz FKMVGJHDQFNNMV-LLVKDONJSA-N -1 3 409.430 2.682 20 0 HFADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1ccccc1S(=O)(=O)C(F)(F)F 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YWJMSYKXKSSVMC-GFCCVEGCSA-N -1 3 413.858 2.663 20 0 HFADHM COc1ccc(C2=NO[C@@H](C[N-]S(=O)(=O)c3cccnc3C(F)(F)F)C2)cc1 ZINC000805092508 1078919488 /nfs/dbraw/zinc/91/94/88/1078919488.db2.gz KGELCMSYQOAATO-CYBMUJFWSA-N -1 3 415.393 2.581 20 0 HFADHM C[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)c1ccc(Cl)cn1 ZINC000805093799 1078919827 /nfs/dbraw/zinc/91/98/27/1078919827.db2.gz FOPMYIPKAZHZKJ-VIFPVBQESA-N -1 3 410.851 2.771 20 0 HFADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NC[C@H](CO)C(C)C)c2)c1 ZINC000805317082 1079016345 /nfs/dbraw/zinc/01/63/45/1079016345.db2.gz PYJDFBZKQCALFY-OAHLLOKOSA-N -1 3 416.474 2.656 20 0 HFADHM CCOC(=O)C[C@@H](OC(=O)c1n[n-]c(-c2ccccc2)c1Br)C(C)=O ZINC000805505064 1079107223 /nfs/dbraw/zinc/10/72/23/1079107223.db2.gz VLGDSUVTTYSKMJ-GFCCVEGCSA-N -1 3 409.236 2.907 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccnc2N(C)C)c(Cl)cc1Cl ZINC000747245110 1079121734 /nfs/dbraw/zinc/12/17/34/1079121734.db2.gz DQZQEVMFOVMYKZ-UHFFFAOYSA-N -1 3 418.302 2.720 20 0 HFADHM CCc1ccc(C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)c([O-])c1 ZINC000805232384 1079176598 /nfs/dbraw/zinc/17/65/98/1079176598.db2.gz TVNPHLWVJYWPSF-CQSZACIVSA-N -1 3 414.458 2.515 20 0 HFADHM Cc1ccc(OC[C@@H](O)CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c(C)c1 ZINC000805788110 1079254882 /nfs/dbraw/zinc/25/48/82/1079254882.db2.gz HPRMJLGBAUIVCT-MBGYTDRXSA-N -1 3 402.457 2.821 20 0 HFADHM C[C@H]1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788872 1079256643 /nfs/dbraw/zinc/25/66/43/1079256643.db2.gz PKJQSVRNUNXQJK-LAQRGFTBSA-N -1 3 411.468 2.955 20 0 HFADHM CCOCC[C@@H](O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805830075 1079300263 /nfs/dbraw/zinc/30/02/63/1079300263.db2.gz WUVRHYQOBJSBLD-HFTRVMKXSA-N -1 3 418.456 2.667 20 0 HFADHM O=C([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1cccc(CN2CCCC2)c1 ZINC000805869096 1079312562 /nfs/dbraw/zinc/31/25/62/1079312562.db2.gz NZQXFYRLYAMWEQ-UHFFFAOYSA-N -1 3 418.906 2.702 20 0 HFADHM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1cccc(CN2CCCC2)c1 ZINC000805843644 1079320694 /nfs/dbraw/zinc/32/06/94/1079320694.db2.gz WSPFJQBHLUZEOY-UHFFFAOYSA-N -1 3 416.499 2.562 20 0 HFADHM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805844066 1079321488 /nfs/dbraw/zinc/32/14/88/1079321488.db2.gz COHLJEFTGZKAAJ-UHFFFAOYSA-N -1 3 415.559 2.782 20 0 HFADHM O=C([N-]S(=O)(=O)c1cc(Cl)cc2c1OCC2)c1cccc(CN2CCCC2)c1 ZINC000805917138 1079332982 /nfs/dbraw/zinc/33/29/82/1079332982.db2.gz AVFXPMFLWLBDNL-UHFFFAOYSA-N -1 3 420.918 2.989 20 0 HFADHM COc1cc(Cl)c(S(=O)(=O)[N-]C(=O)C2CCN(C3CC3)CC2)cc1Cl ZINC000805938746 1079342166 /nfs/dbraw/zinc/34/21/66/1079342166.db2.gz VDUKDSRABKYMML-UHFFFAOYSA-N -1 3 407.319 2.681 20 0 HFADHM COC[C@@H]([N-]S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(C)o1 ZINC000747284087 1079355975 /nfs/dbraw/zinc/35/59/75/1079355975.db2.gz OUGPYSDDWFAWRF-CYBMUJFWSA-N -1 3 406.382 2.755 20 0 HFADHM O=C([N-]S(=O)(=O)CCc1ccc2c(c1)CCO2)c1cccc(CN2CCCC2)c1 ZINC000805924169 1079357238 /nfs/dbraw/zinc/35/72/38/1079357238.db2.gz WEWFAIWUUZVHEP-UHFFFAOYSA-N -1 3 414.527 2.520 20 0 HFADHM O=C([N-]S(=O)(=O)c1cnc2ccccc2c1)C1CCN(Cc2ccccc2)CC1 ZINC000805928013 1079359110 /nfs/dbraw/zinc/35/91/10/1079359110.db2.gz KRCLUSUARFLBNT-UHFFFAOYSA-N -1 3 409.511 2.952 20 0 HFADHM Cc1ncsc1CCS(=O)(=O)[N-]C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000806002283 1079397752 /nfs/dbraw/zinc/39/77/52/1079397752.db2.gz VYIZUFVWSLVHGA-UHFFFAOYSA-N -1 3 421.588 2.742 20 0 HFADHM COc1ccc(C(=O)[N-]C(=O)CN(C)CCOc2ccc(C(F)(F)F)cc2)cc1 ZINC000787339923 1076784037 /nfs/dbraw/zinc/78/40/37/1076784037.db2.gz AJMWGPPFKFBOHT-UHFFFAOYSA-N -1 3 410.392 2.981 20 0 HFADHM Cc1cccc(C[C@H](CO)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC000787400281 1076808329 /nfs/dbraw/zinc/80/83/29/1076808329.db2.gz HYHWYWKTQPRHIS-QGZVFWFLSA-N -1 3 422.522 2.544 20 0 HFADHM Cc1nc(C)c(CC(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000787544368 1076855296 /nfs/dbraw/zinc/85/52/96/1076855296.db2.gz 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/nfs/dbraw/zinc/30/83/05/1077308305.db2.gz ZYRAFBXCUOKAQZ-UHFFFAOYSA-N -1 3 409.320 2.858 20 0 HFADHM COc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2nccn2C)c([O-])c1 ZINC000791298278 1077361351 /nfs/dbraw/zinc/36/13/51/1077361351.db2.gz DHFXRJOCRPLXNV-MRXNPFEDSA-N -1 3 416.478 2.569 20 0 HFADHM O=C(CNC(=O)c1ccc([O-])cc1)O[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000789042272 1077392377 /nfs/dbraw/zinc/39/23/77/1077392377.db2.gz AWWRJCCGIVIUDJ-INIZCTEOSA-N -1 3 423.252 2.778 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@@H]3CC[C@@H](SC)C3)c2)[n-]1 ZINC000789043587 1077392675 /nfs/dbraw/zinc/39/26/75/1077392675.db2.gz GHHGAACLTYQGGP-HUUCEWRRSA-N -1 3 403.508 2.732 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@@H]3CC[C@@H](SC)C3)c2)n[n-]1 ZINC000789043587 1077392683 /nfs/dbraw/zinc/39/26/83/1077392683.db2.gz GHHGAACLTYQGGP-HUUCEWRRSA-N -1 3 403.508 2.732 20 0 HFADHM C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000789212260 1077465474 /nfs/dbraw/zinc/46/54/74/1077465474.db2.gz GSLZHRSSFQGRSY-JTQLQIEISA-N -1 3 412.372 2.683 20 0 HFADHM CC(=O)OC1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000780667593 1077471657 /nfs/dbraw/zinc/47/16/57/1077471657.db2.gz JYDKRTXHNCQHNF-NRFANRHFSA-N -1 3 410.470 2.808 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)ccc1F ZINC000791684386 1077527155 /nfs/dbraw/zinc/52/71/55/1077527155.db2.gz XQQZVKAISUDQIB-CQSZACIVSA-N -1 3 408.348 2.906 20 0 HFADHM CCCCOc1ccc(C(=O)COC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)cc1 ZINC000791992840 1077640446 /nfs/dbraw/zinc/64/04/46/1077640446.db2.gz MXMHCKBIHHUUNG-UHFFFAOYSA-N -1 3 423.462 2.952 20 0 HFADHM CCN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)Cc3ccc(C)cc3F)cc2)CC1 ZINC000792080784 1077705146 /nfs/dbraw/zinc/70/51/46/1077705146.db2.gz OMMMHUZQWIHUML-UHFFFAOYSA-N -1 3 419.522 2.536 20 0 HFADHM COC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000789692477 1077730031 /nfs/dbraw/zinc/73/00/31/1077730031.db2.gz KFBUPMQFWGFKER-GOSISDBHSA-N -1 3 422.522 2.842 20 0 HFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)nc21 ZINC000789817267 1077825054 /nfs/dbraw/zinc/82/50/54/1077825054.db2.gz IBKDPZSXWCLUKF-LBPRGKRZSA-N -1 3 400.435 2.545 20 0 HFADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NC[C@H]3CC[C@@H](O)C3)c2)c1 ZINC000789857090 1077840477 /nfs/dbraw/zinc/84/04/77/1077840477.db2.gz GDIJQQSDHPYSTN-XJKSGUPXSA-N -1 3 414.458 2.553 20 0 HFADHM C[C@H](CC(=O)NCC(F)(F)c1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000789860552 1077841083 /nfs/dbraw/zinc/84/10/83/1077841083.db2.gz HCIAHHNLFIWMPD-GFCCVEGCSA-N -1 3 417.865 2.700 20 0 HFADHM O=C([N-][C@H]1CCN(c2cccc(Br)c2)C1=O)C(F)(F)C1CCOCC1 ZINC000772795992 1077857524 /nfs/dbraw/zinc/85/75/24/1077857524.db2.gz FDHUIMUWWUCWSU-AWEZNQCLSA-N -1 3 417.250 2.733 20 0 HFADHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1 ZINC000792412424 1077861885 /nfs/dbraw/zinc/86/18/85/1077861885.db2.gz DTRHCAHDPLMPOG-UHFFFAOYSA-N -1 3 400.454 2.952 20 0 HFADHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000792413393 1077862979 /nfs/dbraw/zinc/86/29/79/1077862979.db2.gz PPIAACUMUSOZJV-UHFFFAOYSA-N -1 3 400.232 2.958 20 0 HFADHM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C1 ZINC000792483620 1077877471 /nfs/dbraw/zinc/87/74/71/1077877471.db2.gz YIVUQUZWZGPKPQ-OAHLLOKOSA-N -1 3 413.434 2.792 20 0 HFADHM CC(C)(C)OC(=O)NCCOCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000792483384 1077877976 /nfs/dbraw/zinc/87/79/76/1077877976.db2.gz LRLBTAJCLVXCEX-UHFFFAOYSA-N -1 3 401.423 2.698 20 0 HFADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccn(CC(F)F)n2)CC1 ZINC000789982310 1077883103 /nfs/dbraw/zinc/88/31/03/1077883103.db2.gz LNBUQRNLCFVSQG-UHFFFAOYSA-N -1 3 412.824 2.998 20 0 HFADHM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000792532081 1077889327 /nfs/dbraw/zinc/88/93/27/1077889327.db2.gz CYFFLOMERYLFAO-PSASIEDQSA-N -1 3 412.380 2.818 20 0 HFADHM O=C(CSc1n[n-]c(=S)s1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000792544778 1077898462 /nfs/dbraw/zinc/89/84/62/1077898462.db2.gz PYUCUUKHNKZOOB-UHFFFAOYSA-N -1 3 412.528 2.840 20 0 HFADHM CCC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H](O)c1ccccc1 ZINC000792574648 1077913333 /nfs/dbraw/zinc/91/33/33/1077913333.db2.gz NYFQBXMRCMLSJP-GUYCJALGSA-N -1 3 416.952 2.698 20 0 HFADHM O=S(=O)(CCc1ccc2c(c1)CCO2)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000790027136 1077918927 /nfs/dbraw/zinc/91/89/27/1077918927.db2.gz SBEVITJEFAOFDP-GOSISDBHSA-N -1 3 415.433 2.534 20 0 HFADHM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1cc(N2CC[NH+]=C2[O-])ccc1C ZINC000790071672 1077921724 /nfs/dbraw/zinc/92/17/24/1077921724.db2.gz OSOCOEYTZDUPFI-UHFFFAOYSA-N -1 3 423.878 2.765 20 0 HFADHM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(N2CC[NH+]=C2[O-])c1C ZINC000790072056 1077921986 /nfs/dbraw/zinc/92/19/86/1077921986.db2.gz WAWVMPXIWCIKMD-UHFFFAOYSA-N -1 3 423.878 2.765 20 0 HFADHM CCOC(=O)Nc1ccc2c(COC(=O)c3cccc4nn[n-]c43)cc(=O)oc2c1 ZINC000790077446 1077924049 /nfs/dbraw/zinc/92/40/49/1077924049.db2.gz TVHLOPFZZVXEDD-UHFFFAOYSA-N -1 3 408.370 2.990 20 0 HFADHM CCOC(=O)Nc1ccc2c(COC(=O)c3cccc4[n-]nnc43)cc(=O)oc2c1 ZINC000790077446 1077924052 /nfs/dbraw/zinc/92/40/52/1077924052.db2.gz TVHLOPFZZVXEDD-UHFFFAOYSA-N -1 3 408.370 2.990 20 0 HFADHM CCOC(=O)Nc1ccc2c(COC(=O)c3cccc4n[n-]nc43)cc(=O)oc2c1 ZINC000790077446 1077924055 /nfs/dbraw/zinc/92/40/55/1077924055.db2.gz TVHLOPFZZVXEDD-UHFFFAOYSA-N -1 3 408.370 2.990 20 0 HFADHM COc1cc(Cl)c(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)cc1C(=O)[O-] ZINC000792590984 1077925263 /nfs/dbraw/zinc/92/52/63/1077925263.db2.gz YJUMRRJTMBERJW-UHFFFAOYSA-N -1 3 404.916 2.588 20 0 HFADHM CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000792618535 1077944324 /nfs/dbraw/zinc/94/43/24/1077944324.db2.gz MWJPENVVDDHAPH-WBVHZDCISA-N -1 3 419.522 2.759 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccc(NC(=O)OC)cc3)c2)[n-]1 ZINC000790160286 1077962669 /nfs/dbraw/zinc/96/26/69/1077962669.db2.gz PYLADOASFAUZLV-UHFFFAOYSA-N -1 3 423.429 2.757 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccc(NC(=O)OC)cc3)c2)n[n-]1 ZINC000790160286 1077962670 /nfs/dbraw/zinc/96/26/70/1077962670.db2.gz PYLADOASFAUZLV-UHFFFAOYSA-N -1 3 423.429 2.757 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H](O)c3ccccc3Cl)c2)[n-]1 ZINC000790160162 1077963035 /nfs/dbraw/zinc/96/30/35/1077963035.db2.gz MQEFXNLLSVWNNN-MRXNPFEDSA-N -1 3 414.849 2.652 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H](O)c3ccccc3Cl)c2)n[n-]1 ZINC000790160162 1077963038 /nfs/dbraw/zinc/96/30/38/1077963038.db2.gz MQEFXNLLSVWNNN-MRXNPFEDSA-N -1 3 414.849 2.652 20 0 HFADHM O=C(Nc1ccccc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000792761587 1077988091 /nfs/dbraw/zinc/98/80/91/1077988091.db2.gz ZSMKWPBARQIHIW-QUCCMNQESA-N -1 3 402.516 2.582 20 0 HFADHM CC(C)([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)N1CCCC1 ZINC000790334539 1078006159 /nfs/dbraw/zinc/00/61/59/1078006159.db2.gz MQDGPEJHZNDDCH-UHFFFAOYSA-N -1 3 409.733 2.782 20 0 HFADHM Nc1nc(Cl)cc(=N[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]1 ZINC000790396491 1078024855 /nfs/dbraw/zinc/02/48/55/1078024855.db2.gz AZDLHYQUECSCOB-UHFFFAOYSA-N -1 3 402.185 2.690 20 0 HFADHM CC(C)(C)OC(=O)NC/C=C/C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000790439070 1078031211 /nfs/dbraw/zinc/03/12/11/1078031211.db2.gz ZMUOCFMNIUNWBR-SNAWJCMRSA-N -1 3 423.304 2.947 20 0 HFADHM Cc1noc(C(C)(C)[N-]S(=O)(=O)C2=Cc3cc(Br)ccc3OC2)n1 ZINC000790441211 1078032054 /nfs/dbraw/zinc/03/20/54/1078032054.db2.gz ZPBYCAJJWRMJPB-UHFFFAOYSA-N -1 3 414.281 2.729 20 0 HFADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC(F)(F)Br)cc1OC ZINC000806226290 1079509113 /nfs/dbraw/zinc/50/91/13/1079509113.db2.gz PEGGJHGYXJTKHB-UHFFFAOYSA-N -1 3 416.244 2.566 20 0 HFADHM C[C@H]1CCN(C(=O)Nc2cnn(-c3ccncc3)c2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000806312825 1079565890 /nfs/dbraw/zinc/56/58/90/1079565890.db2.gz XQMULCITXGLMFA-HUBLWGQQSA-N -1 3 410.400 2.577 20 0 HFADHM C[C@H]([N-]C(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1)C(F)(F)F ZINC000807541617 1080757612 /nfs/dbraw/zinc/75/76/12/1080757612.db2.gz RDNIUGXGSFBYOK-BYPYZUCNSA-N -1 3 408.096 2.868 20 0 HFADHM O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426777158 1126089898 /nfs/dbraw/zinc/08/98/98/1126089898.db2.gz KZVRZADTLYTJTB-INIZCTEOSA-N -1 3 418.812 2.574 20 0 HFADHM COc1cccc(C[C@H](NCc2cn(-c3ccc(F)c(Cl)c3)nn2)C(=O)[O-])c1 ZINC000426813322 1126092212 /nfs/dbraw/zinc/09/22/12/1126092212.db2.gz WEJDKOGGSYLEBX-SFHVURJKSA-N -1 3 404.829 2.854 20 0 HFADHM O=C([O-])[C@@H](Cc1cccc(Br)c1)NCc1cn(-c2ccccc2)nn1 ZINC000756388187 1126108825 /nfs/dbraw/zinc/10/88/25/1126108825.db2.gz YWUMFXNQMALMLZ-QGZVFWFLSA-N -1 3 401.264 2.815 20 0 HFADHM COc1ccc2c(C)c(CCC(=O)Nc3nnc(-c4ccccn4)[n-]3)c(=O)oc2c1 ZINC000047342898 560886284 /nfs/dbraw/zinc/88/62/84/560886284.db2.gz NSVFRAWPDIGNNG-UHFFFAOYSA-N -1 3 405.414 2.861 20 0 HFADHM COc1ccc2c(C)c(CCC(=O)Nc3nc(-c4ccccn4)n[n-]3)c(=O)oc2c1 ZINC000047342898 560886285 /nfs/dbraw/zinc/88/62/85/560886285.db2.gz NSVFRAWPDIGNNG-UHFFFAOYSA-N -1 3 405.414 2.861 20 0 HFADHM COc1ccc2c(C)c(CCC(=O)Nc3n[n-]c(-c4ccccn4)n3)c(=O)oc2c1 ZINC000047342898 560886286 /nfs/dbraw/zinc/88/62/86/560886286.db2.gz NSVFRAWPDIGNNG-UHFFFAOYSA-N -1 3 405.414 2.861 20 0 HFADHM COCCN1CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)Cc2cccnc21 ZINC001164888057 721368899 /nfs/dbraw/zinc/36/88/99/721368899.db2.gz SZYLKXFQGJEFJN-UHFFFAOYSA-N -1 3 401.870 2.832 20 0 HFADHM CC1(C)CN(C2(CNC(=O)N[C@@H](C(=O)[O-])c3ccccc3)CCCCC2)CCO1 ZINC000780569795 939133725 /nfs/dbraw/zinc/13/37/25/939133725.db2.gz ZTODKSXKVCPFTN-GOSISDBHSA-N -1 3 403.523 2.925 20 0 HFADHM Cc1noc2nc(C)cc(C(=O)N[C@@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)c12 ZINC001123372751 939822607 /nfs/dbraw/zinc/82/26/07/939822607.db2.gz SXASGUPCPRVBTJ-QFIPXVFZSA-N -1 3 408.458 2.689 20 0 HFADHM COc1cccc2[nH]cc(CC(=O)N[C@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)c21 ZINC001263628730 939828521 /nfs/dbraw/zinc/82/85/21/939828521.db2.gz GWYYCEZHSSLRCC-XMMPIXPASA-N -1 3 421.497 2.955 20 0 HFADHM O=C(NC[C@H]1CCSC1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000790581216 1078060878 /nfs/dbraw/zinc/06/08/78/1078060878.db2.gz RFYCHIGVFQHIGZ-SECBINFHSA-N -1 3 409.360 2.917 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)c(C)cc1F ZINC000793358198 1078146847 /nfs/dbraw/zinc/14/68/47/1078146847.db2.gz NPOOQMDJEFVOQR-UHFFFAOYSA-N -1 3 422.478 2.867 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)c2cnn(-c3ccccc3)c2Br)[n-]1 ZINC000793962891 1078348278 /nfs/dbraw/zinc/34/82/78/1078348278.db2.gz YTBHLDLZORQLHR-UHFFFAOYSA-N -1 3 404.224 2.787 20 0 HFADHM CCOC(=O)c1nc(NC(=O)c2cnn(-c3ccccc3)c2Br)c[n-]1 ZINC000793962891 1078348281 /nfs/dbraw/zinc/34/82/81/1078348281.db2.gz YTBHLDLZORQLHR-UHFFFAOYSA-N -1 3 404.224 2.787 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)[n-]1 ZINC000793964391 1078348307 /nfs/dbraw/zinc/34/83/07/1078348307.db2.gz SVBNIFCOCGANRL-OAHLLOKOSA-N -1 3 400.435 2.574 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)c[n-]1 ZINC000793964391 1078348311 /nfs/dbraw/zinc/34/83/11/1078348311.db2.gz SVBNIFCOCGANRL-OAHLLOKOSA-N -1 3 400.435 2.574 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)CSC2CCN(C(=O)OC(C)(C)C)CC2)[n-]1 ZINC000793963269 1078348416 /nfs/dbraw/zinc/34/84/16/1078348416.db2.gz IVUJESLTODPCJC-UHFFFAOYSA-N -1 3 412.512 2.658 20 0 HFADHM CCOC(=O)c1nc(NC(=O)CSC2CCN(C(=O)OC(C)(C)C)CC2)c[n-]1 ZINC000793963269 1078348421 /nfs/dbraw/zinc/34/84/21/1078348421.db2.gz IVUJESLTODPCJC-UHFFFAOYSA-N -1 3 412.512 2.658 20 0 HFADHM COC(=O)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1OC ZINC000794240786 1078390714 /nfs/dbraw/zinc/39/07/14/1078390714.db2.gz SSHUHPXEUHAAJG-UHFFFAOYSA-N -1 3 424.450 2.560 20 0 HFADHM Cn1c2cc([O-])c(NC(=O)c3ccccc3OCc3ccncc3)cc2n(C)c1=O ZINC000794209457 1078393584 /nfs/dbraw/zinc/39/35/84/1078393584.db2.gz FOTRUBJRLYYMKE-UHFFFAOYSA-N -1 3 404.426 2.809 20 0 HFADHM CC[C@@]1(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)CCCN1C(=O)OC(C)(C)C ZINC000794211911 1078393883 /nfs/dbraw/zinc/39/38/83/1078393883.db2.gz YSPAWDZRYRBDST-NRFANRHFSA-N -1 3 418.494 2.701 20 0 HFADHM Cn1c(=O)n(C)c2cc(NC(=O)c3ccoc3COc3ccc(C=O)cc3)c([O-])cc21 ZINC000794213146 1078394310 /nfs/dbraw/zinc/39/43/10/1078394310.db2.gz ZZUKVSZBVPSFCA-UHFFFAOYSA-N -1 3 421.409 2.819 20 0 HFADHM Cc1cc(CCNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])ccc1Cl ZINC000794356542 1078424072 /nfs/dbraw/zinc/42/40/72/1078424072.db2.gz IJWULDMNPGWNNX-UHFFFAOYSA-N -1 3 401.825 2.808 20 0 HFADHM Cc1cc(CCNC(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)ccc1Cl ZINC000794356542 1078424075 /nfs/dbraw/zinc/42/40/75/1078424075.db2.gz IJWULDMNPGWNNX-UHFFFAOYSA-N -1 3 401.825 2.808 20 0 HFADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000747206317 1078505639 /nfs/dbraw/zinc/50/56/39/1078505639.db2.gz CQFYDYIZNBYURS-UHFFFAOYSA-N -1 3 417.897 2.630 20 0 HFADHM C[C@H](O)c1cc(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)ccc1F ZINC000804793546 1078625976 /nfs/dbraw/zinc/62/59/76/1078625976.db2.gz YVKPQPPIZPZORM-VIFPVBQESA-N -1 3 414.405 2.850 20 0 HFADHM O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129612387 1078618880 /nfs/dbraw/zinc/61/88/80/1078618880.db2.gz FLROQGSGSUYYQF-UHFFFAOYSA-N -1 3 423.857 2.852 20 0 HFADHM O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129612387 1078618882 /nfs/dbraw/zinc/61/88/82/1078618882.db2.gz FLROQGSGSUYYQF-UHFFFAOYSA-N -1 3 423.857 2.852 20 0 HFADHM C[C@@H](O)c1cc(NC(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)ccc1F ZINC000804802042 1078632949 /nfs/dbraw/zinc/63/29/49/1078632949.db2.gz DVULSQQSCJOOGP-GHMZBOCLSA-N -1 3 415.874 2.623 20 0 HFADHM C[C@H](O)c1cc(NC(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)ccc1F ZINC000804802045 1078632954 /nfs/dbraw/zinc/63/29/54/1078632954.db2.gz DVULSQQSCJOOGP-QWRGUYRKSA-N -1 3 415.874 2.623 20 0 HFADHM O=C(C[N-]S(=O)(=O)Cc1ccccc1Br)Nc1ccc(F)c(F)c1 ZINC000804938415 1078763995 /nfs/dbraw/zinc/76/39/95/1078763995.db2.gz XTGVJGPPIFGCIL-UHFFFAOYSA-N -1 3 419.247 2.785 20 0 HFADHM O=S(=O)([N-]CCc1cc(Cl)c2c(c1)OCCO2)c1cnc(Cl)c(F)c1 ZINC000804943956 1078772200 /nfs/dbraw/zinc/77/22/00/1078772200.db2.gz PDCJPBBQWLNRHR-UHFFFAOYSA-N -1 3 407.250 2.820 20 0 HFADHM CC(C)(C)OC(=O)N1CC[C@H](CC[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000804987642 1078791198 /nfs/dbraw/zinc/79/11/98/1078791198.db2.gz IJGZBMWKMXTCAT-NSHDSACASA-N -1 3 407.895 2.800 20 0 HFADHM CCOC(=O)[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)Cc1ccccc1 ZINC000804971456 1078807931 /nfs/dbraw/zinc/80/79/31/1078807931.db2.gz BYTGOAAICPDEBT-ZDUSSCGKSA-N -1 3 400.859 2.574 20 0 HFADHM O=S(=O)([N-]CCc1ccc(OCC(F)(F)F)nc1)c1cnc(Cl)c(F)c1 ZINC000805066810 1078876856 /nfs/dbraw/zinc/87/68/56/1078876856.db2.gz ADAXFIMXBMPCMS-UHFFFAOYSA-N -1 3 413.780 2.731 20 0 HFADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)[C@H]1Oc1ccccc1 ZINC000805067100 1078877938 /nfs/dbraw/zinc/87/79/38/1078877938.db2.gz IVZMYQYRHYCWIT-BZUAXINKSA-N -1 3 400.859 2.777 20 0 HFADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000805074635 1078906635 /nfs/dbraw/zinc/90/66/35/1078906635.db2.gz NERPHNZRGYZREE-GHMZBOCLSA-N -1 3 407.895 2.988 20 0 HFADHM C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C1CCN(CC(F)(F)F)CC1 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COC(=O)N(C)CCCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000789867909 1077844127 /nfs/dbraw/zinc/84/41/27/1077844127.db2.gz JGAXNZLEZMXPRB-UHFFFAOYSA-N -1 3 421.255 2.915 20 0 HFADHM CC(=O)N1CSC[C@H]1c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000789869573 1077844465 /nfs/dbraw/zinc/84/44/65/1077844465.db2.gz WCBQXXYXJLKLDI-NSHDSACASA-N -1 3 421.280 2.878 20 0 HFADHM CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCc2ncccc2[O-])c1 ZINC000792414244 1077863404 /nfs/dbraw/zinc/86/34/04/1077863404.db2.gz VMZWJGIMZDCPQC-UHFFFAOYSA-N -1 3 404.398 2.528 20 0 HFADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000792520792 1077885244 /nfs/dbraw/zinc/88/52/44/1077885244.db2.gz NJSSPDODKQYCLE-LLVKDONJSA-N -1 3 418.450 2.584 20 0 HFADHM CC(C)(C)OC(=O)Nc1cccc(CC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000772801527 1077912595 /nfs/dbraw/zinc/91/25/95/1077912595.db2.gz IBWQNWIMPBXTPP-UHFFFAOYSA-N -1 3 413.474 2.828 20 0 HFADHM O=C([N-][C@@H]1CCO[C@H]1C1CCN(C[C@@H](O)c2c(F)cccc2F)CC1)C(F)(F)F 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USXGIYPYUHSHPK-UHFFFAOYSA-N -1 3 423.351 2.894 20 0 HFADHM O=C(C[N-]S(=O)(=O)c1cccc(Br)c1Cl)NCc1ccccc1 ZINC000790151023 1077965754 /nfs/dbraw/zinc/96/57/54/1077965754.db2.gz KTCDJRHSVDJWFR-UHFFFAOYSA-N -1 3 417.712 2.697 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2ccc(-c3ncnn3C)cc2)ccc1F ZINC000792671292 1077969652 /nfs/dbraw/zinc/96/96/52/1077969652.db2.gz FAIQPOKMNBDHSB-UHFFFAOYSA-N -1 3 418.450 2.527 20 0 HFADHM CCOC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000790272416 1077992619 /nfs/dbraw/zinc/99/26/19/1077992619.db2.gz FPIBZGCSIRKBDT-SECBINFHSA-N -1 3 411.705 2.612 20 0 HFADHM COCC1(C)CN(C(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2[O-])C1 ZINC000790417200 1078021811 /nfs/dbraw/zinc/02/18/11/1078021811.db2.gz IHWNNCHPGIMOLQ-UHFFFAOYSA-N -1 3 414.458 2.770 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)c2nc(C)no2)c(Cl)cc1Cl ZINC000790441178 1078031966 /nfs/dbraw/zinc/03/19/66/1078031966.db2.gz YYVPOVHUUHINSQ-UHFFFAOYSA-N -1 3 408.263 2.685 20 0 HFADHM COc1ccc([C@H](CNC(=O)CSc2n[n-]c(=S)s2)N2CCCC2)cc1 ZINC000747348067 1079970181 /nfs/dbraw/zinc/97/01/81/1079970181.db2.gz JSLKVXQGRXZQNV-AWEZNQCLSA-N -1 3 410.590 2.881 20 0 HFADHM COc1ccccc1[C@@H](CNC(=O)CSc1n[n-]c(=S)s1)N1CCCC1 ZINC000747349059 1079975923 /nfs/dbraw/zinc/97/59/23/1079975923.db2.gz BPUQUSVJFAPHCN-CYBMUJFWSA-N -1 3 410.590 2.881 20 0 HFADHM COc1cccc(CN2CCC(NC(=O)CSc3n[n-]c(=S)s3)CC2)c1 ZINC000747364054 1080114432 /nfs/dbraw/zinc/11/44/32/1080114432.db2.gz LTXFMMKPAAWFOT-UHFFFAOYSA-N -1 3 410.590 2.708 20 0 HFADHM CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000806987411 1080200186 /nfs/dbraw/zinc/20/01/86/1080200186.db2.gz HEPXBINPZRVDSE-CYBMUJFWSA-N -1 3 414.300 2.917 20 0 HFADHM O=C1CCCN1[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C[C@H]2CCCO[C@@H]21 ZINC001164649822 719304232 /nfs/dbraw/zinc/30/42/32/719304232.db2.gz HMWZRDQRLRUNEA-HFAKWTLXSA-N -1 3 418.897 2.570 20 0 HFADHM CCN1CCN(Cc2ccc(CNC(=O)N[C@@H](C(=O)[O-])C3CCCCC3)cc2)CC1 ZINC000780418742 939119565 /nfs/dbraw/zinc/11/95/65/939119565.db2.gz YGKKAYAHRIENQM-OAQYLSRUSA-N -1 3 416.566 2.657 20 0 HFADHM O=C([O-])C1(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)CCCCC1 ZINC000780438438 939121644 /nfs/dbraw/zinc/12/16/44/939121644.db2.gz BBFXIFIBWWMAEE-UHFFFAOYSA-N -1 3 402.539 2.676 20 0 HFADHM COc1ccc(OCC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1C ZINC001123268139 939817061 /nfs/dbraw/zinc/81/70/61/939817061.db2.gz NYEULYZGOJSFKO-HSZRJFAPSA-N -1 3 412.486 2.618 20 0 HFADHM Cn1cc(-c2cccc(C(=O)N[C@@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)c2)cn1 ZINC001123372279 939822560 /nfs/dbraw/zinc/82/25/60/939822560.db2.gz KWKHZJDIKJRTBZ-DEOSSOPVSA-N -1 3 418.497 2.936 20 0 HFADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)OCc2nc(C(C)C)ns2)cc1 ZINC000793211198 1078107141 /nfs/dbraw/zinc/10/71/41/1078107141.db2.gz HXMIBFAFBBBEOU-UHFFFAOYSA-N -1 3 413.521 2.934 20 0 HFADHM CN(C)S(=O)(=O)c1ccc(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000793708041 1078277330 /nfs/dbraw/zinc/27/73/30/1078277330.db2.gz NPKXKMHPMRRXGB-UHFFFAOYSA-N -1 3 416.421 2.746 20 0 HFADHM CCOC(=O)c1cc(NC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)[n-]n1 ZINC000793780190 1078309853 /nfs/dbraw/zinc/30/98/53/1078309853.db2.gz PNSXHKKXXWRFDP-HXUWFJFHSA-N -1 3 400.435 2.574 20 0 HFADHM CCOC(=O)c1cc(NC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)n[n-]1 ZINC000793780190 1078309857 /nfs/dbraw/zinc/30/98/57/1078309857.db2.gz PNSXHKKXXWRFDP-HXUWFJFHSA-N -1 3 400.435 2.574 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)[n-]1 ZINC000793957998 1078347493 /nfs/dbraw/zinc/34/74/93/1078347493.db2.gz DGXOILBYBAKSGL-UHFFFAOYSA-N -1 3 415.475 2.747 20 0 HFADHM CCOC(=O)c1nc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c[n-]1 ZINC000793957998 1078347498 /nfs/dbraw/zinc/34/74/98/1078347498.db2.gz DGXOILBYBAKSGL-UHFFFAOYSA-N -1 3 415.475 2.747 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@@H]2CC[C@@H](c3ccc(C)o3)N2C(=O)OCC)[n-]1 ZINC000793960052 1078347835 /nfs/dbraw/zinc/34/78/35/1078347835.db2.gz NRUGIOQUDMPQKA-STQMWFEESA-N -1 3 404.423 2.789 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@@H]2CC[C@@H](c3ccc(C)o3)N2C(=O)OCC)c[n-]1 ZINC000793960052 1078347840 /nfs/dbraw/zinc/34/78/40/1078347840.db2.gz NRUGIOQUDMPQKA-STQMWFEESA-N -1 3 404.423 2.789 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)[n-]1 ZINC000793961988 1078348091 /nfs/dbraw/zinc/34/80/91/1078348091.db2.gz JOONPNPLSZBWNJ-HXUWFJFHSA-N -1 3 400.435 2.574 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)c[n-]1 ZINC000793961988 1078348095 /nfs/dbraw/zinc/34/80/95/1078348095.db2.gz JOONPNPLSZBWNJ-HXUWFJFHSA-N -1 3 400.435 2.574 20 0 HFADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NOCCSC)ccc2C)cc1 ZINC000794193340 1078383440 /nfs/dbraw/zinc/38/34/40/1078383440.db2.gz LLSWGPMUIVUWKB-UHFFFAOYSA-N -1 3 410.517 2.829 20 0 HFADHM COC(=O)c1cc(F)cc([N-]C(=O)c2nccn3c(Br)cnc23)c1F ZINC000794237869 1078390114 /nfs/dbraw/zinc/39/01/14/1078390114.db2.gz IGYXFJGGXYUCAZ-UHFFFAOYSA-N -1 3 411.162 2.809 20 0 HFADHM Cn1c2cc([O-])c(NC(=O)C3(NC(=O)OC(C)(C)C)CCCCC3)cc2n(C)c1=O ZINC000794212370 1078394338 /nfs/dbraw/zinc/39/43/38/1078394338.db2.gz QGHMCACQGXCXDY-UHFFFAOYSA-N -1 3 418.494 2.749 20 0 HFADHM CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC001129488758 1078508830 /nfs/dbraw/zinc/50/88/30/1078508830.db2.gz YBXQBWXUMSRQOF-GXTWGEPZSA-N -1 3 419.444 2.517 20 0 HFADHM Cc1ccc2c(c1)CN(C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl)CCO2 ZINC000804531944 1078569653 /nfs/dbraw/zinc/56/96/53/1078569653.db2.gz VDPFVQYRDMJNDN-CQSZACIVSA-N -1 3 423.922 2.522 20 0 HFADHM COc1cccc([C@H](CNC(=O)CSc2n[n-]c(=S)s2)N2CCCC2)c1 ZINC000747199961 1078638670 /nfs/dbraw/zinc/63/86/70/1078638670.db2.gz LCOYOJXYFJUZHH-AWEZNQCLSA-N -1 3 410.590 2.881 20 0 HFADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(C)C[C@@H](C)OC)c2)c1 ZINC000804839395 1078680069 /nfs/dbraw/zinc/68/00/69/1078680069.db2.gz GYRSAUWVXZYUEJ-CYBMUJFWSA-N -1 3 402.447 2.769 20 0 HFADHM Cc1cc(F)cc2c1S(=O)(=O)N(Cc1cc(=O)oc3c(C)c([O-])ccc13)C2=O ZINC000804916717 1078737506 /nfs/dbraw/zinc/73/75/06/1078737506.db2.gz FNGJDAAOGWZYKM-UHFFFAOYSA-N -1 3 403.387 2.599 20 0 HFADHM COC(=O)c1cc(Cl)cc(NC(=O)/C(=C\c2ccccc2)n2nnnc2C)c1[O-] ZINC000804902055 1078758084 /nfs/dbraw/zinc/75/80/84/1078758084.db2.gz RXXJOOWPSIAMRA-LZYBPNLTSA-N -1 3 413.821 2.764 20 0 HFADHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)N2CCOCC2)cc1 ZINC000804960593 1078799966 /nfs/dbraw/zinc/79/99/66/1078799966.db2.gz SSDDNLRKQVFIFT-QGZVFWFLSA-N -1 3 413.902 2.534 20 0 HFADHM CC(C)(C)OC(=O)NC[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CC1 ZINC000805014600 1078824890 /nfs/dbraw/zinc/82/48/90/1078824890.db2.gz FKMVGJHDQFNNMV-NSHDSACASA-N -1 3 409.430 2.682 20 0 HFADHM O=S(=O)([N-]CCNc1ccc(-c2ccccc2)nn1)c1cnc(Cl)c(F)c1 ZINC000805031535 1078843775 /nfs/dbraw/zinc/84/37/75/1078843775.db2.gz JCBMUKISTPMYJB-UHFFFAOYSA-N -1 3 407.858 2.722 20 0 HFADHM CC(C)([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)c1nccs1 ZINC000805004968 1078849180 /nfs/dbraw/zinc/84/91/80/1078849180.db2.gz HDFGHRJDVYEBEQ-UHFFFAOYSA-N -1 3 414.452 2.650 20 0 HFADHM C[C@@H](CC(=O)OCc1ccccc1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000805046867 1078860973 /nfs/dbraw/zinc/86/09/73/1078860973.db2.gz IICYINYOHTULBG-LBPRGKRZSA-N -1 3 402.394 2.901 20 0 HFADHM CCOC(=O)N1CCC[C@H]([C@H](C)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000805070707 1078879116 /nfs/dbraw/zinc/87/91/16/1078879116.db2.gz ZBPOWZAPHBKISJ-RYUDHWBXSA-N -1 3 409.430 2.636 20 0 HFADHM C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C1CCN(CC(F)(F)F)CC1 ZINC000805081336 1078912113 /nfs/dbraw/zinc/91/21/13/1078912113.db2.gz HQDVQSHBNYSSQH-VIFPVBQESA-N -1 3 403.829 2.815 20 0 HFADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000805081203 1078912118 /nfs/dbraw/zinc/91/21/18/1078912118.db2.gz RREZYQSTTFUXBG-GHMZBOCLSA-N -1 3 407.895 2.940 20 0 HFADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000805136659 1078933635 /nfs/dbraw/zinc/93/36/35/1078933635.db2.gz MNZQEZHRAKEVRU-OAHLLOKOSA-N -1 3 401.843 2.668 20 0 HFADHM CCc1ccc([O-])c(C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)c1 ZINC000805231216 1078974499 /nfs/dbraw/zinc/97/44/99/1078974499.db2.gz RFWAMVBRFQSSSP-CQSZACIVSA-N -1 3 414.458 2.515 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](c2ccco2)N(C)C)c(Cl)cc1Cl ZINC000747235150 1078980081 /nfs/dbraw/zinc/98/00/81/1078980081.db2.gz KEPPICJRWRUOPE-CYBMUJFWSA-N -1 3 421.302 2.954 20 0 HFADHM Cc1cc(C(F)(F)C(=O)[N-][C@@H](CC(C)C)C(=O)N2CCOCC2)cnc1Cl ZINC001130119876 1078989859 /nfs/dbraw/zinc/98/98/59/1078989859.db2.gz BCMXITMTEJAMQF-AWEZNQCLSA-N -1 3 403.857 2.525 20 0 HFADHM C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cnccc2OC)c1Cl ZINC000805485852 1079097917 /nfs/dbraw/zinc/09/79/17/1079097917.db2.gz PDJIOTSATZQBFN-UHFFFAOYSA-N -1 3 405.259 2.662 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]CCN2CCCC[C@H]2C)c(Cl)cc1Cl ZINC000747246197 1079102425 /nfs/dbraw/zinc/10/24/25/1079102425.db2.gz BYQJITGYLLSZEG-LLVKDONJSA-N -1 3 409.335 2.933 20 0 HFADHM COc1cccc(CN(C(=O)COC(=O)c2cnn[n-]2)C23CC4CC(CC(C4)C2)C3)c1 ZINC000805603703 1079152935 /nfs/dbraw/zinc/15/29/35/1079152935.db2.gz SOTOSMRGLVGOPV-UHFFFAOYSA-N -1 3 424.501 2.968 20 0 HFADHM COc1cccc(CN(C(=O)COC(=O)c2c[n-]nn2)C23CC4CC(CC(C4)C2)C3)c1 ZINC000805603703 1079152943 /nfs/dbraw/zinc/15/29/43/1079152943.db2.gz SOTOSMRGLVGOPV-UHFFFAOYSA-N -1 3 424.501 2.968 20 0 HFADHM COc1ccc(OC)c([C@H](O)CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805788410 1079255092 /nfs/dbraw/zinc/25/50/92/1079255092.db2.gz NFPGYKFRNVYJNW-VGWHQZGPSA-N -1 3 404.429 2.515 20 0 HFADHM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@H](O)COC(C)C ZINC000805829936 1079300135 /nfs/dbraw/zinc/30/01/35/1079300135.db2.gz UIXBXMXDCODJRU-ZVZYQTTQSA-N -1 3 418.456 2.665 20 0 HFADHM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)C1CCN(Cc2ccccc2)CC1 ZINC000805868347 1079311530 /nfs/dbraw/zinc/31/15/30/1079311530.db2.gz BVDRHZKVZAJMEQ-UHFFFAOYSA-N -1 3 407.923 2.593 20 0 HFADHM Cc1cc(S(=O)(=O)[N-]C(=O)C2CCN(C3CC3)CC2)c(C)cc1Br ZINC000805885686 1079338308 /nfs/dbraw/zinc/33/83/08/1079338308.db2.gz UHJTZEBPAMZJOO-UHFFFAOYSA-N -1 3 415.353 2.745 20 0 HFADHM COc1ccc(CCS(=O)(=O)[N-]C(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000805924122 1079356728 /nfs/dbraw/zinc/35/67/28/1079356728.db2.gz UKDLGZKYGMGUQE-UHFFFAOYSA-N -1 3 416.543 2.596 20 0 HFADHM O=C([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CCN(C2CC2)CC1 ZINC000805929968 1079359453 /nfs/dbraw/zinc/35/94/53/1079359453.db2.gz VXNNJNWUMUCPFD-UHFFFAOYSA-N -1 3 421.744 2.782 20 0 HFADHM CS(=O)(=O)[N-]c1cc(C(=O)OCCc2nnc(-c3ccccc3)o2)ccc1F ZINC000806113713 1079442230 /nfs/dbraw/zinc/44/22/30/1079442230.db2.gz WDJHTBQEBMNXNP-UHFFFAOYSA-N -1 3 405.407 2.647 20 0 HFADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NCc2ncccn2)c(Cl)cc1Cl ZINC000772698917 1076749679 /nfs/dbraw/zinc/74/96/79/1076749679.db2.gz CTTJAWDCTQJCNW-UHFFFAOYSA-N -1 3 417.318 2.648 20 0 HFADHM Cc1cc(CCNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc(C)c1O ZINC000787519802 1076845422 /nfs/dbraw/zinc/84/54/22/1076845422.db2.gz WCEJIVHJJZGXMX-UHFFFAOYSA-N -1 3 408.495 2.807 20 0 HFADHM C[C@@H]1CCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CCN1Cc1ccccc1 ZINC000746692326 1076847932 /nfs/dbraw/zinc/84/79/32/1076847932.db2.gz RVINKLHEJVQRID-QGZVFWFLSA-N -1 3 422.554 2.808 20 0 HFADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCCCCO)c(Cl)cc1Cl ZINC000787614802 1076879321 /nfs/dbraw/zinc/87/93/21/1076879321.db2.gz APIRIKOSCCIXIZ-NSHDSACASA-N -1 3 411.351 2.963 20 0 HFADHM C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1nnnn1C1CCCCC1 ZINC000787642031 1076893531 /nfs/dbraw/zinc/89/35/31/1076893531.db2.gz UZVANOABRXXQEA-PBHICJAKSA-N -1 3 413.478 2.793 20 0 HFADHM C[C@H](CC(=O)N1CC(Cc2cccs2)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001170080345 1077009319 /nfs/dbraw/zinc/00/93/19/1077009319.db2.gz MAJFRRQHDYNLHF-GFCCVEGCSA-N -1 3 413.952 2.555 20 0 HFADHM CC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)N(CC)CC ZINC000788410658 1077154666 /nfs/dbraw/zinc/15/46/66/1077154666.db2.gz PVURTYYIAWUHTJ-HIFRSBDPSA-N -1 3 420.959 2.679 20 0 HFADHM COc1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)NC(C)(C)C3=O)c2)c(C)c1 ZINC000788499668 1077183394 /nfs/dbraw/zinc/18/33/94/1077183394.db2.gz VZUZWPKVLKTHBG-UHFFFAOYSA-N -1 3 403.460 2.639 20 0 HFADHM COc1ccc2c(c1)C=C(S(=O)(=O)N=c1nc(-c3cccs3)[n-]n1C)CC2 ZINC000788557139 1077200296 /nfs/dbraw/zinc/20/02/96/1077200296.db2.gz PUVUPNDRIRDWMD-UHFFFAOYSA-N -1 3 402.501 2.703 20 0 HFADHM O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[N-]OC[C@@H]1CCOC1 ZINC000788571034 1077209385 /nfs/dbraw/zinc/20/93/85/1077209385.db2.gz DGTDRRCYGCYTIQ-LLVKDONJSA-N -1 3 409.533 2.593 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCc2cn3ccccc3n2)c(C)c1Cl ZINC000788587588 1077213809 /nfs/dbraw/zinc/21/38/09/1077213809.db2.gz HICVNIZZYPELLY-UHFFFAOYSA-N -1 3 413.908 2.665 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2cn3cc(C)ccc3n2)c(C)c1Cl ZINC000788599494 1077218849 /nfs/dbraw/zinc/21/88/49/1077218849.db2.gz ARTLLYYCEDCSOU-UHFFFAOYSA-N -1 3 413.908 2.931 20 0 HFADHM CCOc1cccc(CC[N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)n1 ZINC000788652155 1077226158 /nfs/dbraw/zinc/22/61/58/1077226158.db2.gz HQJSFYGVKHHPPN-UHFFFAOYSA-N -1 3 418.924 2.811 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@](C)(O)c2ccccc2)c(C)c1Cl ZINC000788629478 1077236635 /nfs/dbraw/zinc/23/66/35/1077236635.db2.gz BHOWOGOCHZXBKG-INIZCTEOSA-N -1 3 403.909 2.683 20 0 HFADHM O=S(=O)([N-]C[C@H](CO)Cc1ccc(F)c(F)c1)c1ccc(Cl)nc1Cl ZINC000790929901 1077237700 /nfs/dbraw/zinc/23/77/00/1077237700.db2.gz INKFGUPDTLZUAY-SNVBAGLBSA-N -1 3 411.257 2.796 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2nn(C)c3ccccc23)c(C)c1Cl ZINC000788668171 1077260788 /nfs/dbraw/zinc/26/07/88/1077260788.db2.gz HZLIWBFEWNKWKS-UHFFFAOYSA-N -1 3 413.908 2.862 20 0 HFADHM COc1cccc(Cl)c1CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000791009552 1077266880 /nfs/dbraw/zinc/26/68/80/1077266880.db2.gz ZQPRMECEIDWDJZ-UHFFFAOYSA-N -1 3 412.870 2.858 20 0 HFADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C(C)C)[C@H](O)c2ccccc2)s1 ZINC000788721133 1077271605 /nfs/dbraw/zinc/27/16/05/1077271605.db2.gz MJDUMPCDGXZXIE-HZPDHXFCSA-N -1 3 413.517 2.580 20 0 HFADHM CCNc1nc(C)c(C(=O)NCc2cccc(-c3nnc(C(=O)OCC)[n-]3)c2)s1 ZINC000791025491 1077274927 /nfs/dbraw/zinc/27/49/27/1077274927.db2.gz UBJPWSHKEKCECQ-UHFFFAOYSA-N -1 3 414.491 2.775 20 0 HFADHM CCNc1nc(C)c(C(=O)NCc2cccc(-c3n[n-]c(C(=O)OCC)n3)c2)s1 ZINC000791025491 1077274930 /nfs/dbraw/zinc/27/49/30/1077274930.db2.gz UBJPWSHKEKCECQ-UHFFFAOYSA-N -1 3 414.491 2.775 20 0 HFADHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000788754699 1077277761 /nfs/dbraw/zinc/27/77/61/1077277761.db2.gz GWWPCASEYVZFEM-UHFFFAOYSA-N -1 3 409.464 2.524 20 0 HFADHM O=C([N-]Cc1noc(-c2cccc(Br)c2)n1)C(F)(F)C1(O)CCC1 ZINC000791098539 1077299822 /nfs/dbraw/zinc/29/98/22/1077299822.db2.gz SRGKYQHMOOFXCV-UHFFFAOYSA-N -1 3 402.195 2.666 20 0 HFADHM Cc1ccccc1CN1CCCN(C(=O)COC(=O)c2c(F)cc([O-])cc2F)CC1 ZINC000746983591 1077310224 /nfs/dbraw/zinc/31/02/24/1077310224.db2.gz AVXJFFSSUXMGGS-UHFFFAOYSA-N -1 3 418.440 2.870 20 0 HFADHM O=C(OCc1ncc(Br)s1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000788915197 1077353044 /nfs/dbraw/zinc/35/30/44/1077353044.db2.gz VBPYUEBEHYEQNB-NSHDSACASA-N -1 3 411.277 2.959 20 0 HFADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](C)CN1CCCCC1 ZINC000788919413 1077355039 /nfs/dbraw/zinc/35/50/39/1077355039.db2.gz JVMRCERNLWWGLO-LLVKDONJSA-N -1 3 409.321 2.750 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2-n2cc(C)cn2)ccc1F ZINC000772728035 1077382174 /nfs/dbraw/zinc/38/21/74/1077382174.db2.gz UPPALDOTPQLZLH-UHFFFAOYSA-N -1 3 402.451 2.789 20 0 HFADHM Cc1nc(C)c(CC(=O)O[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c(=O)[n-]1 ZINC000789023016 1077387756 /nfs/dbraw/zinc/38/77/56/1077387756.db2.gz DZLNCPLIRWRJLD-OAHLLOKOSA-N -1 3 410.257 2.997 20 0 HFADHM O=C(COC(=O)c1cncc([O-])c1)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000791383743 1077389162 /nfs/dbraw/zinc/38/91/62/1077389162.db2.gz YKDCNKWGVCUKFI-UHFFFAOYSA-N -1 3 402.362 2.628 20 0 HFADHM CS(=O)(=O)N(CCOC(=O)c1cc(F)cc(Cl)c1[O-])Cc1ccccc1 ZINC000791404862 1077400257 /nfs/dbraw/zinc/40/02/57/1077400257.db2.gz OSJPDJIKBHLMFP-UHFFFAOYSA-N -1 3 401.843 2.803 20 0 HFADHM COc1c2ccccc2oc1CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000789242364 1077468553 /nfs/dbraw/zinc/46/85/53/1077468553.db2.gz AILQRGFDMKCIFN-UHFFFAOYSA-N -1 3 418.446 2.951 20 0 HFADHM O=C(OCCO[C@H]1CCCCO1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000791727889 1077542293 /nfs/dbraw/zinc/54/22/93/1077542293.db2.gz CEZHLEZZBJQESY-KRWDZBQOSA-N -1 3 412.439 2.655 20 0 HFADHM C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OCCO[C@H]2CCCCO2)c1Cl ZINC000791995191 1077640790 /nfs/dbraw/zinc/64/07/90/1077640790.db2.gz PVOFLCGJTAGWHT-LBPRGKRZSA-N -1 3 412.291 2.602 20 0 HFADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000789735854 1077771756 /nfs/dbraw/zinc/77/17/56/1077771756.db2.gz SFHKYRUKEWRYLE-UHFFFAOYSA-N -1 3 422.304 2.789 20 0 HFADHM CCN(Cc1ccccc1NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C(=O)OC(C)(C)C ZINC000789959128 1077870070 /nfs/dbraw/zinc/87/00/70/1077870070.db2.gz FHWZJAMZVMYRAV-UHFFFAOYSA-N -1 3 418.450 2.906 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CCCOC)Cc2ccccc2)ccc1F ZINC000792553813 1077901288 /nfs/dbraw/zinc/90/12/88/1077901288.db2.gz ZUPQXWLAUOYESJ-QGZVFWFLSA-N -1 3 408.495 2.502 20 0 HFADHM CCCCc1nc(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)c(C(=O)OCC)[n-]1 ZINC000792553588 1077901319 /nfs/dbraw/zinc/90/13/19/1077901319.db2.gz OLKMKJJVVKMNKO-MRXNPFEDSA-N -1 3 414.462 2.682 20 0 HFADHM C[C@@H](NC(=O)CN1CCC(c2n[n-]c(=O)o2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001170243732 1077915879 /nfs/dbraw/zinc/91/58/79/1077915879.db2.gz IGVATCIYJYFFRC-LLVKDONJSA-N -1 3 414.384 2.731 20 0 HFADHM O=C(c1sc(N2CCCC2)nc1Cl)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000746873348 1077923596 /nfs/dbraw/zinc/92/35/96/1077923596.db2.gz RLSRUAJJFVZJFB-UHFFFAOYSA-N -1 3 420.922 2.701 20 0 HFADHM O=C(NCc1ncccc1[O-])c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000792611092 1077936141 /nfs/dbraw/zinc/93/61/41/1077936141.db2.gz GLGOYDYUPDJYOA-UHFFFAOYSA-N -1 3 423.922 2.935 20 0 HFADHM O=C(NCc1ncccc1[O-])c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000792611727 1077937651 /nfs/dbraw/zinc/93/76/51/1077937651.db2.gz JVGOZUATOPNRBF-UHFFFAOYSA-N -1 3 409.895 2.545 20 0 HFADHM COc1cc(NC(=O)c2ccccc2)c(C(=O)NCc2ncccc2[O-])cc1OC ZINC000792619871 1077944522 /nfs/dbraw/zinc/94/45/22/1077944522.db2.gz OGBGLUBZWZIULE-UHFFFAOYSA-N -1 3 407.426 2.987 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)ccc1F ZINC000790132688 1077952679 /nfs/dbraw/zinc/95/26/79/1077952679.db2.gz JXPXVMCRQDTRPL-UHFFFAOYSA-N -1 3 424.404 2.665 20 0 HFADHM CN(C)[C@H]1CCOc2c(NC(=O)c3ccc4c(c3)[n-]c(=S)n(C)c4=O)cccc21 ZINC000790237451 1077973936 /nfs/dbraw/zinc/97/39/36/1077973936.db2.gz MKEFLRAGZAUBRL-KRWDZBQOSA-N -1 3 410.499 2.860 20 0 HFADHM CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000792771673 1077998104 /nfs/dbraw/zinc/99/81/04/1077998104.db2.gz JBXGBJDZHRUELN-WBMJQRKESA-N -1 3 424.346 2.814 20 0 HFADHM O=C(c1nnc2ccccc2c1[O-])N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000792784560 1078000495 /nfs/dbraw/zinc/00/04/95/1078000495.db2.gz KUANABDQRCZPNI-MRXNPFEDSA-N -1 3 409.446 2.980 20 0 HFADHM CN1CC[C@H](CNC(=O)N=c2ccnc3n(C)[n-]cc2-3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000806483921 1079770624 /nfs/dbraw/zinc/77/06/24/1079770624.db2.gz VQAWNMDPMFWXJG-ACJLOTCBSA-N -1 3 416.888 2.949 20 0 HFADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000747353167 1080024583 /nfs/dbraw/zinc/02/45/83/1080024583.db2.gz OMGOKWNIMXWWOX-UHFFFAOYSA-N -1 3 412.265 2.999 20 0 HFADHM CCN1CCN(C(=O)c2ccc(NC(=O)c3c(C)nc(C(C)C)[n-]c3=O)cc2)CC1 ZINC000747370971 1080246501 /nfs/dbraw/zinc/24/65/01/1080246501.db2.gz VGQSMOWJDSJSGM-UHFFFAOYSA-N -1 3 411.506 2.644 20 0 HFADHM O=C([N-]CC[S@](=O)CC(F)(F)F)C(F)(F)c1cccc(Br)c1 ZINC001130876780 1080365225 /nfs/dbraw/zinc/36/52/25/1080365225.db2.gz QLUSPTOAVLHLFK-QFIPXVFZSA-N -1 3 408.186 2.968 20 0 HFADHM CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CSc1n[n-]c(=S)s1 ZINC000747387169 1080459856 /nfs/dbraw/zinc/45/98/56/1080459856.db2.gz YHAGZCUSALKBCR-CQSZACIVSA-N -1 3 409.606 2.827 20 0 HFADHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2)C[C@H](C)O1 ZINC000747406688 1080800169 /nfs/dbraw/zinc/80/01/69/1080800169.db2.gz HYHXYNIBOJTLEF-STQMWFEESA-N -1 3 403.460 2.948 20 0 HFADHM COc1cccc(C[C@@H](NCc2cn(-c3ccc(F)c(Cl)c3)nn2)C(=O)[O-])c1 ZINC000426813321 1126092144 /nfs/dbraw/zinc/09/21/44/1126092144.db2.gz WEJDKOGGSYLEBX-GOSISDBHSA-N -1 3 404.829 2.854 20 0 HFADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164897773 721486995 /nfs/dbraw/zinc/48/69/95/721486995.db2.gz UIYVQIOXAHSAID-LLVKDONJSA-N -1 3 411.869 2.693 20 0 HFADHM O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]21 ZINC001164956865 722047988 /nfs/dbraw/zinc/04/79/88/722047988.db2.gz DKMRXCCIXOYGBP-ZJUUUORDSA-N -1 3 400.838 2.908 20 0 HFADHM O=C([O-])[C@]1(NC(=O)c2cccc(NC(=O)C3CC3)c2)CCCN(Cc2ccccc2)C1 ZINC001123268848 939817497 /nfs/dbraw/zinc/81/74/97/939817497.db2.gz VGGGURGOORPOPU-DEOSSOPVSA-N -1 3 421.497 2.884 20 0 HFADHM COc1ccc2c(ccn2CC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001263628165 939828896 /nfs/dbraw/zinc/82/88/96/939828896.db2.gz KYJBWRGNABOPJH-DEOSSOPVSA-N -1 3 421.497 2.886 20 0 HFADHM O=S(=O)(/C=C\c1ccc(Br)cc1)[N-]c1ccc(-n2cncn2)cn1 ZINC000790647591 1078093282 /nfs/dbraw/zinc/09/32/82/1078093282.db2.gz FPBMHYDRBYJKAU-FPLPWBNLSA-N -1 3 406.265 2.837 20 0 HFADHM O=S(=O)(/C=C/c1ccccc1Br)[N-]c1ccc(-n2cncn2)cn1 ZINC000790647581 1078093333 /nfs/dbraw/zinc/09/33/33/1078093333.db2.gz FMZKHAMHPAIEBT-BQYQJAHWSA-N -1 3 406.265 2.837 20 0 HFADHM CN(C[C@@H]1C[C@H](F)CN1C(=O)c1nnc2ccccc2c1[O-])C(=O)OC(C)(C)C ZINC000793472232 1078183876 /nfs/dbraw/zinc/18/38/76/1078183876.db2.gz QRCSGYVVUHBJPK-STQMWFEESA-N -1 3 404.442 2.755 20 0 HFADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@@](C)(CO)C(C)C)c2)c1 ZINC000793772833 1078307656 /nfs/dbraw/zinc/30/76/56/1078307656.db2.gz YWORYRDMHKEPGM-QFIPXVFZSA-N -1 3 416.474 2.799 20 0 HFADHM COC1(CNC(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)CCC(C)CC1 ZINC000794024191 1078363350 /nfs/dbraw/zinc/36/33/50/1078363350.db2.gz JDEVXNCYZQGEAB-FVRSWCFKSA-N -1 3 417.959 2.503 20 0 HFADHM CCc1ccc(N(CC(C)C)C(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000794128884 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COc1ccc([C@H](O)C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cc1 ZINC000805011343 1078855873 /nfs/dbraw/zinc/85/58/73/1078855873.db2.gz BSKKCCHWXGKHCE-CYBMUJFWSA-N -1 3 409.357 2.745 20 0 HFADHM COCCCO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2C)C1 ZINC000805040094 1078857749 /nfs/dbraw/zinc/85/77/49/1078857749.db2.gz QDHHAQITLMANAN-AWEZNQCLSA-N -1 3 413.312 2.694 20 0 HFADHM O=C(C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)OCc1ccc(Cl)cc1 ZINC000805061919 1078873371 /nfs/dbraw/zinc/87/33/71/1078873371.db2.gz XXXGKHLSWMOTTO-UHFFFAOYSA-N -1 3 408.785 2.776 20 0 HFADHM CC(C)(C)OC(=O)N1CC=C(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000805070910 1078879195 /nfs/dbraw/zinc/87/91/95/1078879195.db2.gz KEFMDZSADTWNOZ-UHFFFAOYSA-N -1 3 421.441 2.946 20 0 HFADHM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805087768 1078916205 /nfs/dbraw/zinc/91/62/05/1078916205.db2.gz PGBOIVGWWXCSJK-CQSZACIVSA-N -1 3 421.277 2.980 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]CC2=CCCOC2)c(Br)cc1Cl ZINC000805139649 1078936177 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HFADHM COC(=O)[C@@H](OC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000791373766 1077385544 /nfs/dbraw/zinc/38/55/44/1077385544.db2.gz ZPWSNYHVAYIJLH-INIZCTEOSA-N -1 3 412.225 2.886 20 0 HFADHM COC(=O)[C@@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1ccc(Br)cc1 ZINC000791348659 1077390152 /nfs/dbraw/zinc/39/01/52/1077390152.db2.gz SGIYKFFGMBDLAK-LBPRGKRZSA-N -1 3 406.223 2.720 20 0 HFADHM CCOC1CC(CCNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000789261324 1077482110 /nfs/dbraw/zinc/48/21/10/1077482110.db2.gz IDKSSZJBJUJQMV-UHFFFAOYSA-N -1 3 400.516 2.838 20 0 HFADHM O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000791787934 1077570440 /nfs/dbraw/zinc/57/04/40/1077570440.db2.gz HVVVFWXSKFWGID-KRWDZBQOSA-N -1 3 406.360 2.527 20 0 HFADHM CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)NCc3ncccc3[O-])cc2C1 ZINC000791860776 1077573159 /nfs/dbraw/zinc/57/31/59/1077573159.db2.gz CLHZUICUXDHLLO-CQSZACIVSA-N -1 3 413.478 2.886 20 0 HFADHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1c(C)ccnc1Br 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ZINC000806869776 1080070185 /nfs/dbraw/zinc/07/01/85/1080070185.db2.gz ADROGJSXDBLMHY-UHFFFAOYSA-N -1 3 418.831 2.813 20 0 HFADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1 ZINC000747372889 1080294770 /nfs/dbraw/zinc/29/47/70/1080294770.db2.gz RGHSNZCNRWGLOZ-UHFFFAOYSA-N -1 3 424.505 2.617 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)C[C@H](C)O)ccc1F ZINC000747401274 1080765434 /nfs/dbraw/zinc/76/54/34/1080765434.db2.gz GHQMEOFOVGOGCD-HNNXBMFYSA-N -1 3 408.495 2.536 20 0 HFADHM CCCCOC(=O)COC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000807577220 1080788515 /nfs/dbraw/zinc/78/85/15/1080788515.db2.gz IJOYXPBCEVBTJR-UHFFFAOYSA-N -1 3 424.302 2.934 20 0 HFADHM CC[C@@H](OC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)C(=O)OC ZINC000807577702 1080789815 /nfs/dbraw/zinc/78/98/15/1080789815.db2.gz ZCZJUIYLHHFHAP-GFCCVEGCSA-N -1 3 410.275 2.543 20 0 HFADHM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(-n2cnnn2)cc1 ZINC000747406952 1080799195 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CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793467044 1078181593 /nfs/dbraw/zinc/18/15/93/1078181593.db2.gz HYPBDAUGJORMOF-KGLIPLIRSA-N -1 3 421.460 2.693 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@H]2CC(Br)=NN2c2ccc(C)cc2)[n-]1 ZINC000793963898 1078348645 /nfs/dbraw/zinc/34/86/45/1078348645.db2.gz NEKOITOCNBMREL-GFCCVEGCSA-N -1 3 420.267 2.821 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@H]2CC(Br)=NN2c2ccc(C)cc2)c[n-]1 ZINC000793963898 1078348650 /nfs/dbraw/zinc/34/86/50/1078348650.db2.gz NEKOITOCNBMREL-GFCCVEGCSA-N -1 3 420.267 2.821 20 0 HFADHM COc1ccc([C@@H]2C[C@H]2NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1 ZINC000794146551 1078378062 /nfs/dbraw/zinc/37/80/62/1078378062.db2.gz NNKKPXFORDCAPQ-GOEBONIOSA-N -1 3 422.453 2.700 20 0 HFADHM CO[C@]1(C)CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC000794181145 1078382256 /nfs/dbraw/zinc/38/22/56/1078382256.db2.gz OEXZLEQSZZASBX-LJQANCHMSA-N -1 3 400.516 2.934 20 0 HFADHM CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)[N-]c3c(F)ccnc3F)nn2)CC1 ZINC001129483552 1078484192 /nfs/dbraw/zinc/48/41/92/1078484192.db2.gz GZSBFUZIOFRKQK-UHFFFAOYSA-N -1 3 408.409 2.776 20 0 HFADHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC001129487565 1078507887 /nfs/dbraw/zinc/50/78/87/1078507887.db2.gz GVEJIKNDETVOLH-MELADBBJSA-N -1 3 406.445 2.662 20 0 HFADHM Cc1ccc2c(c1)CN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C3CC3)c1)CCO2 ZINC000804529723 1078568482 /nfs/dbraw/zinc/56/84/82/1078568482.db2.gz IKKJEMGUFDOQHD-UHFFFAOYSA-N -1 3 404.463 2.610 20 0 HFADHM COC[C@@]1(CNC(=O)c2cc(OC)c([O-])c(OC)c2)CCCN1C(=O)OC(C)(C)C ZINC000804789217 1078645247 /nfs/dbraw/zinc/64/52/47/1078645247.db2.gz DPDKWGGBYYLQMP-NRFANRHFSA-N -1 3 424.494 2.555 20 0 HFADHM CCn1c(=O)c2ccc(C(=O)N(C)CCCN(C)Cc3ccco3)cc2[n-]c1=S ZINC000804868783 1078692308 /nfs/dbraw/zinc/69/23/08/1078692308.db2.gz DKDHNGVVZQQMFL-UHFFFAOYSA-N -1 3 414.531 2.892 20 0 HFADHM CCc1cccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)OC)c1[O-] ZINC000804882649 1078708143 /nfs/dbraw/zinc/70/81/43/1078708143.db2.gz NOBSUPUVUQFZRI-MRXNPFEDSA-N -1 3 406.479 2.579 20 0 HFADHM O=S(=O)([N-]CCOc1ccc(Br)cc1)c1cnc(Cl)c(F)c1 ZINC000804972770 1078809145 /nfs/dbraw/zinc/80/91/45/1078809145.db2.gz KURPSARYDMSKJK-UHFFFAOYSA-N -1 3 409.664 2.994 20 0 HFADHM COC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)c1ccccc1 ZINC000804985344 1078822674 /nfs/dbraw/zinc/82/26/74/1078822674.db2.gz ZAHAMXWPKMRNOI-ZDUSSCGKSA-N -1 3 423.434 2.646 20 0 HFADHM O=C1[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCN1c1ccc(Cl)cc1 ZINC000805013410 1078823573 /nfs/dbraw/zinc/82/35/73/1078823573.db2.gz VIBDYZVBXDOTQR-CYBMUJFWSA-N -1 3 404.250 2.611 20 0 HFADHM COCCCONC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000805041939 1078857983 /nfs/dbraw/zinc/85/79/83/1078857983.db2.gz HTOLFYZHTPMZTL-UHFFFAOYSA-N -1 3 408.476 2.502 20 0 HFADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000805040425 1078858069 /nfs/dbraw/zinc/85/80/69/1078858069.db2.gz VZRGCMPSKCZXGX-SECBINFHSA-N -1 3 407.382 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O=C(COC(=O)c1ccnc(-c2ccc(Cl)cc2)n1)[N-]C(=O)c1cccs1 ZINC000805658874 1079207188 /nfs/dbraw/zinc/20/71/88/1079207188.db2.gz FLWFDLIYAADTOQ-UHFFFAOYSA-N -1 3 401.831 2.972 20 0 HFADHM C[C@H]1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788635 1079255121 /nfs/dbraw/zinc/25/51/21/1079255121.db2.gz QWDSLWQALBQDLQ-PRXAMGSTSA-N -1 3 415.412 2.521 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]C2CCC(C(=O)OC)CC2)c(Cl)cc1Cl ZINC000747270237 1079278078 /nfs/dbraw/zinc/27/80/78/1079278078.db2.gz XBUBCHBDTQCDOX-UHFFFAOYSA-N -1 3 424.302 2.790 20 0 HFADHM COc1cccc(S(=O)(=O)[N-]C(=O)C2(C)CCN(Cc3ccccc3)CC2)c1 ZINC000805869085 1079312552 /nfs/dbraw/zinc/31/25/52/1079312552.db2.gz NTDAEHYGDQRAOA-UHFFFAOYSA-N -1 3 402.516 2.802 20 0 HFADHM CC1(C(=O)[N-]S(=O)(=O)c2ccnc(Cl)c2)CCN(Cc2ccccc2)CC1 ZINC000805911214 1079329462 /nfs/dbraw/zinc/32/94/62/1079329462.db2.gz JUUCQOHGOOUXEK-UHFFFAOYSA-N -1 3 407.923 2.842 20 0 HFADHM CO[C@H](CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(F)(F)F ZINC000787342382 1076786447 /nfs/dbraw/zinc/78/64/47/1076786447.db2.gz WFJKHLDLGDENLE-CYBMUJFWSA-N -1 3 414.421 2.600 20 0 HFADHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000746697333 1076864416 /nfs/dbraw/zinc/86/44/16/1076864416.db2.gz SFKWVAWNHRBMPL-QGZVFWFLSA-N -1 3 422.554 2.808 20 0 HFADHM CS(=O)(=O)[N-]c1cc(C(=O)OCCOCC(F)(F)C(F)(F)F)ccc1F ZINC000787680439 1076908711 /nfs/dbraw/zinc/90/87/11/1076908711.db2.gz DDBQVDFYLMYPID-UHFFFAOYSA-N -1 3 409.304 2.568 20 0 HFADHM O=C(OC/C=C/c1ccc(Cl)cc1)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC000787722729 1076931469 /nfs/dbraw/zinc/93/14/69/1076931469.db2.gz RDMDNTMOGXPAGP-OWOJBTEDSA-N -1 3 401.893 2.542 20 0 HFADHM O=C(OC/C=C\c1ccc(Cl)cc1)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC000787722730 1076931845 /nfs/dbraw/zinc/93/18/45/1076931845.db2.gz RDMDNTMOGXPAGP-UPHRSURJSA-N -1 3 401.893 2.542 20 0 HFADHM O=C(CCCc1ccc([O-])c(F)c1)OCC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000787842517 1076960766 /nfs/dbraw/zinc/96/07/66/1076960766.db2.gz 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COc1ccc(NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)cc1NC(=O)OC(C)(C)C ZINC000788279121 1077096577 /nfs/dbraw/zinc/09/65/77/1077096577.db2.gz DJXIAGOAADYBBX-UHFFFAOYSA-N -1 3 406.395 2.504 20 0 HFADHM COC(=O)c1cnc(SCC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)[n-]1 ZINC000788505589 1077185584 /nfs/dbraw/zinc/18/55/84/1077185584.db2.gz LAQOQQXNGNJQMO-BETUJISGSA-N -1 3 404.492 2.541 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2COc3ccccc3C2)c(C)c1Cl ZINC000788597738 1077218169 /nfs/dbraw/zinc/21/81/69/1077218169.db2.gz WFNWOYXNSUPJPF-NSHDSACASA-N -1 3 401.893 2.779 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccc(C)nc3N(C)C)c2)[n-]1 ZINC000788648406 1077224406 /nfs/dbraw/zinc/22/44/06/1077224406.db2.gz XBGOUBHZTHWNDE-UHFFFAOYSA-N -1 3 423.477 2.740 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccc(C)nc3N(C)C)c2)n[n-]1 ZINC000788648406 1077224411 /nfs/dbraw/zinc/22/44/11/1077224411.db2.gz XBGOUBHZTHWNDE-UHFFFAOYSA-N -1 3 423.477 2.740 20 0 HFADHM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)Nc3ccc(C)nc3N(C)C)c2)n1 ZINC000788648406 1077224414 /nfs/dbraw/zinc/22/44/14/1077224414.db2.gz XBGOUBHZTHWNDE-UHFFFAOYSA-N -1 3 423.477 2.740 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(C)c1Cl ZINC000788654188 1077253608 /nfs/dbraw/zinc/25/36/08/1077253608.db2.gz LXOGHMCSQZVGNO-OASPWFOLSA-N -1 3 405.925 2.732 20 0 HFADHM O=C([N-][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)C(F)(F)C1CCOCC1 ZINC000790956123 1077253938 /nfs/dbraw/zinc/25/39/38/1077253938.db2.gz NUFFDSBRLYSBMG-MRXNPFEDSA-N -1 3 402.388 2.634 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C2(C(N)=O)CCC(C)(C)CC2)c(C)c1Cl ZINC000788656676 1077255022 /nfs/dbraw/zinc/25/50/22/1077255022.db2.gz BDEMRLGTDCKKSX-UHFFFAOYSA-N -1 3 422.956 2.599 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@](C)(O)c2ccc(F)cc2)c(C)c1Cl ZINC000788662317 1077257661 /nfs/dbraw/zinc/25/76/61/1077257661.db2.gz RKCJAYOAKNOTEZ-MRXNPFEDSA-N -1 3 421.899 2.822 20 0 HFADHM C/C=C\C[C@H]([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)OCC ZINC000788667573 1077260976 /nfs/dbraw/zinc/26/09/76/1077260976.db2.gz HAXUFIVKHDQVER-RNZFLTOJSA-N -1 3 424.288 2.773 20 0 HFADHM CCc1ccc([C@@H]2CN(C(=O)c3ccc(F)c(S(=O)(=O)[N-]C)c3)CCO2)cc1 ZINC000791123611 1077293828 /nfs/dbraw/zinc/29/38/28/1077293828.db2.gz OOBFBUGLEQVKKT-SFHVURJKSA-N -1 3 406.479 2.510 20 0 HFADHM O=S(=O)([N-]c1ncccc1I)C1=Cc2ccccc2OC1 ZINC000788843723 1077317782 /nfs/dbraw/zinc/31/77/82/1077317782.db2.gz YTVNRJCGIZYOSS-UHFFFAOYSA-N -1 3 414.224 2.861 20 0 HFADHM O=S(=O)([N-]CCN[C@H]1COCc2cccc(Cl)c21)c1ccc(F)cc1F ZINC000788815411 1077321824 /nfs/dbraw/zinc/32/18/24/1077321824.db2.gz NUSTWCBAGDNEBQ-HNNXBMFYSA-N -1 3 402.850 2.758 20 0 HFADHM O=S(=O)([N-]CCN[C@@H]1COCc2cccc(Cl)c21)c1ccc(F)cc1F ZINC000788815412 1077321857 /nfs/dbraw/zinc/32/18/57/1077321857.db2.gz NUSTWCBAGDNEBQ-OAHLLOKOSA-N -1 3 402.850 2.758 20 0 HFADHM O=C(NC[C@H]1CCC2(CCCCC2)O1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000791177608 1077329249 /nfs/dbraw/zinc/32/92/49/1077329249.db2.gz GOTDVYRVNHVLGQ-MRXNPFEDSA-N -1 3 410.511 2.878 20 0 HFADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]Cc1oc2ccccc2c1OC ZINC000788915981 1077353578 /nfs/dbraw/zinc/35/35/78/1077353578.db2.gz HWMWILPHAXYMEG-UHFFFAOYSA-N -1 3 410.835 2.755 20 0 HFADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)s1 ZINC000788950081 1077359533 /nfs/dbraw/zinc/35/95/33/1077359533.db2.gz KKIUMQXVEHMXLP-AWEZNQCLSA-N -1 3 422.528 2.544 20 0 HFADHM O=C(OCc1nnc2n1CCCCC2)c1ccc(I)c([O-])c1 ZINC000788980185 1077382487 /nfs/dbraw/zinc/38/24/87/1077382487.db2.gz JHCKDIBKBPDBFR-UHFFFAOYSA-N -1 3 413.215 2.672 20 0 HFADHM CC[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)OC(C)(C)C ZINC000791318072 1077383849 /nfs/dbraw/zinc/38/38/49/1077383849.db2.gz NVBFKYTXTAQDQH-AWEZNQCLSA-N -1 3 401.456 2.544 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@H]3CC[C@@H](SC)C3)c2)[n-]1 ZINC000789043589 1077392636 /nfs/dbraw/zinc/39/26/36/1077392636.db2.gz GHHGAACLTYQGGP-LSDHHAIUSA-N -1 3 403.508 2.732 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@H]3CC[C@@H](SC)C3)c2)n[n-]1 ZINC000789043589 1077392645 /nfs/dbraw/zinc/39/26/45/1077392645.db2.gz GHHGAACLTYQGGP-LSDHHAIUSA-N -1 3 403.508 2.732 20 0 HFADHM Nc1cc(COC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)ccn1 ZINC000791606672 1077503283 /nfs/dbraw/zinc/50/32/83/1077503283.db2.gz XTLZTBKFJCANTC-UHFFFAOYSA-N -1 3 415.446 2.890 20 0 HFADHM CCCCOc1ccc(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c([O-])c1 ZINC000789766728 1077768894 /nfs/dbraw/zinc/76/88/94/1077768894.db2.gz UTDOWWGWBWUBMF-UHFFFAOYSA-N -1 3 420.478 2.565 20 0 HFADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2CN(C)C)c1OC ZINC000789735805 1077771453 /nfs/dbraw/zinc/77/14/53/1077771453.db2.gz ROFAKNDHGFIAMQ-UHFFFAOYSA-N -1 3 412.895 2.998 20 0 HFADHM COC[C@](C)([N-]S(=O)(=O)c1ccc(C(=O)OC)c(C(F)(F)F)c1)C(F)(F)F ZINC000789740636 1077774777 /nfs/dbraw/zinc/77/47/77/1077774777.db2.gz QRJIBIWPQFPSHG-LBPRGKRZSA-N -1 3 423.331 2.738 20 0 HFADHM CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cc(=O)n4[n-]ccc4n3)CC2)CC1 ZINC000792333690 1077822723 /nfs/dbraw/zinc/82/27/23/1077822723.db2.gz MSDWZJNVHVPVDA-UHFFFAOYSA-N -1 3 401.511 2.636 20 0 HFADHM CCOC(=O)NCCCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000789867892 1077844261 /nfs/dbraw/zinc/84/42/61/1077844261.db2.gz IRVKUSZETUSIRV-UHFFFAOYSA-N -1 3 421.255 2.963 20 0 HFADHM Cn1ccnc1[C@](O)(CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)C(F)(F)F ZINC000792482853 1077877026 /nfs/dbraw/zinc/87/70/26/1077877026.db2.gz GZCXDKOMKWFHQM-QGZVFWFLSA-N -1 3 420.351 2.730 20 0 HFADHM CCC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H](O)c1ccccc1 ZINC000792562384 1077912224 /nfs/dbraw/zinc/91/22/24/1077912224.db2.gz GTBPRJLJAOHMBV-AZUAARDMSA-N -1 3 420.506 2.899 20 0 HFADHM CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1cccc2nn[n-]c21 ZINC000790074671 1077922900 /nfs/dbraw/zinc/92/29/00/1077922900.db2.gz RQMSUFYSKHRGAV-UHFFFAOYSA-N -1 3 402.432 2.554 20 0 HFADHM CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1cccc2[n-]nnc21 ZINC000790074671 1077922901 /nfs/dbraw/zinc/92/29/01/1077922901.db2.gz RQMSUFYSKHRGAV-UHFFFAOYSA-N -1 3 402.432 2.554 20 0 HFADHM CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1cccc2n[n-]nc21 ZINC000790074671 1077922903 /nfs/dbraw/zinc/92/29/03/1077922903.db2.gz RQMSUFYSKHRGAV-UHFFFAOYSA-N -1 3 402.432 2.554 20 0 HFADHM O=C(COC(=O)c1cccc2nn[n-]c21)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000790075018 1077923880 /nfs/dbraw/zinc/92/38/80/1077923880.db2.gz IMEMIRRYNBVVJE-HNNXBMFYSA-N -1 3 405.370 2.679 20 0 HFADHM O=C(COC(=O)c1cccc2[n-]nnc21)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000790075018 1077923881 /nfs/dbraw/zinc/92/38/81/1077923881.db2.gz IMEMIRRYNBVVJE-HNNXBMFYSA-N -1 3 405.370 2.679 20 0 HFADHM O=C(COC(=O)c1cccc2n[n-]nc21)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000790075018 1077923885 /nfs/dbraw/zinc/92/38/85/1077923885.db2.gz IMEMIRRYNBVVJE-HNNXBMFYSA-N -1 3 405.370 2.679 20 0 HFADHM O=C([N-][C@@H]1CCO[C@H]1C1CCN(C[C@H](O)c2c(F)cccc2F)CC1)C(F)(F)F ZINC001170274145 1077925822 /nfs/dbraw/zinc/92/58/22/1077925822.db2.gz UJBDENMELCBICL-VYDXJSESSA-N -1 3 422.394 2.546 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@]3(CCCOC3)C2)ccc1F ZINC000746877027 1077938316 /nfs/dbraw/zinc/93/83/16/1077938316.db2.gz NWYUXZWCJOQWJG-FQEVSTJZSA-N -1 3 412.527 2.935 20 0 HFADHM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCc2cc(Br)c(Cl)cc21 ZINC001170327294 1077944125 /nfs/dbraw/zinc/94/41/25/1077944125.db2.gz DLGBYZSQPIHIRU-UHFFFAOYSA-N -1 3 400.616 2.515 20 0 HFADHM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CC1(Cl)Cl ZINC000790140005 1077955101 /nfs/dbraw/zinc/95/51/01/1077955101.db2.gz NOLKVKUKFFUBIT-QMMMGPOBSA-N -1 3 415.726 2.523 20 0 HFADHM CC1(C)CCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)CCS1 ZINC000790141134 1077955332 /nfs/dbraw/zinc/95/53/32/1077955332.db2.gz QFGVKGXEKDBGRE-UHFFFAOYSA-N -1 3 404.504 2.763 20 0 HFADHM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000790221521 1077979396 /nfs/dbraw/zinc/97/93/96/1077979396.db2.gz AMTANNGUHNPOTI-DZGCQCFKSA-N -1 3 410.417 2.831 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)OC)c2OC(C)C)ccc1F ZINC000792850823 1078014620 /nfs/dbraw/zinc/01/46/20/1078014620.db2.gz 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Cn1[n-]cc2c(=NC(=O)N3CCC[C@@H](c4nc(-c5ccccc5)n[nH]4)C3)ccnc1-2 ZINC000806486892 1079772460 /nfs/dbraw/zinc/77/24/60/1079772460.db2.gz JODYMAGMMSKATR-OAHLLOKOSA-N -1 3 402.462 2.538 20 0 HFADHM Cn1[n-]cc2c(=NC(=O)N3CCC[C@@H](c4nnc(-c5ccccc5)[nH]4)C3)ccnc1-2 ZINC000806486892 1079772467 /nfs/dbraw/zinc/77/24/67/1079772467.db2.gz JODYMAGMMSKATR-OAHLLOKOSA-N -1 3 402.462 2.538 20 0 HFADHM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000806544875 1079783306 /nfs/dbraw/zinc/78/33/06/1079783306.db2.gz AHZWCIZZVNPKPM-ROUUACIJSA-N -1 3 412.444 2.563 20 0 HFADHM O=C(CSc1n[n-]c(=S)s1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000747360622 1080077048 /nfs/dbraw/zinc/07/70/48/1080077048.db2.gz YEPANFCVTHTAFI-UHFFFAOYSA-N -1 3 423.633 2.638 20 0 HFADHM CCNC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000806987613 1080199814 /nfs/dbraw/zinc/19/98/14/1080199814.db2.gz IRIGTPGKPVPSAP-CYBMUJFWSA-N -1 3 414.300 2.965 20 0 HFADHM 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ZINC001263627494 939828136 /nfs/dbraw/zinc/82/81/36/939828136.db2.gz NKZFFVXGOZDHKK-HSZRJFAPSA-N -1 3 420.469 2.894 20 0 HFADHM CS(=O)(=O)c1cc(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc(C(F)(F)F)c1 ZINC000790575304 1078066649 /nfs/dbraw/zinc/06/66/49/1078066649.db2.gz RVEXTWLCSZQGLJ-MHWRWJLKSA-N -1 3 424.400 2.510 20 0 HFADHM CO[C@H]1CCOc2c(NC(=O)c3ccc(F)c(S(=O)(=O)[N-]C4CC4)c3)cccc21 ZINC000790608893 1078074423 /nfs/dbraw/zinc/07/44/23/1078074423.db2.gz HWFUTMRHHHVHNC-KRWDZBQOSA-N -1 3 420.462 2.989 20 0 HFADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)OCCCC2CCOCC2)CCCC1 ZINC000790666127 1078083280 /nfs/dbraw/zinc/08/32/80/1078083280.db2.gz NLEGONPJCIQWKB-UHFFFAOYSA-N -1 3 414.524 2.633 20 0 HFADHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1nc(Cl)cs1)CS(=O)(=O)CC2 ZINC000790708432 1078101816 /nfs/dbraw/zinc/10/18/16/1078101816.db2.gz XAJQDIOQUGGBCD-UHFFFAOYSA-N -1 3 420.921 2.758 20 0 HFADHM CC(C)(NC(=O)Nc1ccccc1)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793469707 1078182878 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CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc(NC(C)=O)ccc2[O-])cn1 ZINC000791133726 1077315423 /nfs/dbraw/zinc/31/54/23/1077315423.db2.gz PJXWTABTFDNZDJ-JOCHJYFZSA-N -1 3 422.485 2.943 20 0 HFADHM CCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)[C@@H](CC)C(=O)OCC ZINC000791139455 1077318124 /nfs/dbraw/zinc/31/81/24/1077318124.db2.gz SJFQHZOYYGXGPQ-INIZCTEOSA-N -1 3 416.515 2.706 20 0 HFADHM C[C@@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000746985750 1077319233 /nfs/dbraw/zinc/31/92/33/1077319233.db2.gz IKYGILSTAJXMFN-UKRRQHHQSA-N -1 3 404.413 2.606 20 0 HFADHM CO[C@H]1C[C@@H](CNC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)C1 ZINC001170091746 1077325325 /nfs/dbraw/zinc/32/53/25/1077325325.db2.gz CUUMVUMRDJBYLS-JGZJWPJOSA-N -1 3 407.319 2.589 20 0 HFADHM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]Cc2oc3ccccc3c2OC)c1F ZINC000788918582 1077354440 /nfs/dbraw/zinc/35/44/40/1077354440.db2.gz WDGMDGSAPGFBKA-UHFFFAOYSA-N -1 3 411.382 2.985 20 0 HFADHM COC(=O)[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1ccsc1 ZINC000788919088 1077355325 /nfs/dbraw/zinc/35/53/25/1077355325.db2.gz ZFSKTTWLEQSMKM-HNNXBMFYSA-N -1 3 415.464 2.645 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCCN(C)C(=O)OC(C)(C)C)ccc1F ZINC000791323076 1077373496 /nfs/dbraw/zinc/37/34/96/1077373496.db2.gz BZXIRNBVVRBZIG-UHFFFAOYSA-N -1 3 418.487 2.536 20 0 HFADHM O=C(OC[C@H]1CC2(CCC2)C(=O)O1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000791326998 1077374910 /nfs/dbraw/zinc/37/49/10/1077374910.db2.gz QEEYHUODYCLOIR-GFCCVEGCSA-N -1 3 422.434 2.597 20 0 HFADHM O=C(CNC(=O)c1ccc([O-])cc1)O[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000789042273 1077392451 /nfs/dbraw/zinc/39/24/51/1077392451.db2.gz AWWRJCCGIVIUDJ-MRXNPFEDSA-N -1 3 423.252 2.778 20 0 HFADHM CC[C@H](C)n1ncc(NC(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c1C ZINC000791572951 1077466749 /nfs/dbraw/zinc/46/67/49/1077466749.db2.gz AEQMVANYVGYFJR-RYUDHWBXSA-N -1 3 413.931 2.907 20 0 HFADHM Cc1nccc([N-]C(=O)c2oc(C(=O)Nc3ccnc(C)n3)cc2Br)n1 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CXURWNGCIYMWPO-MNOVXSKESA-N -1 3 417.318 2.718 20 0 HFADHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC3OCCO3)ccc2C)cc1 ZINC000789938620 1077859545 /nfs/dbraw/zinc/85/95/45/1077859545.db2.gz GZVFMSGYROHDTB-UHFFFAOYSA-N -1 3 406.460 2.506 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2nccn2-c2ccccc2)ccc1F ZINC000792477733 1077875012 /nfs/dbraw/zinc/87/50/12/1077875012.db2.gz AVOIQWJFSSESHX-UHFFFAOYSA-N -1 3 402.451 2.950 20 0 HFADHM C[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)NC(=O)OC(C)(C)C ZINC000792506763 1077895094 /nfs/dbraw/zinc/89/50/94/1077895094.db2.gz KUUOUHGHCSYRJP-SNVBAGLBSA-N -1 3 424.295 2.934 20 0 HFADHM COC(=O)[C@H](CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)NC(C)=O ZINC000790002091 1077898960 /nfs/dbraw/zinc/89/89/60/1077898960.db2.gz WQFNIVQZCKVZTO-NSHDSACASA-N -1 3 407.473 2.568 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CCCOC)Cc2ccccc2)ccc1F ZINC000792553811 1077901282 /nfs/dbraw/zinc/90/12/82/1077901282.db2.gz ZUPQXWLAUOYESJ-KRWDZBQOSA-N -1 3 408.495 2.502 20 0 HFADHM CCCCc1nc(NC(=O)c2cnn(-c3ccc(F)cc3)n2)c(C(=O)OCC)[n-]1 ZINC000792553601 1077901518 /nfs/dbraw/zinc/90/15/18/1077901518.db2.gz OTUJXKOREPNRHV-UHFFFAOYSA-N -1 3 400.414 2.901 20 0 HFADHM COc1ccc2cc(CN(C)C(=O)COC(=O)c3cccc4nn[n-]c43)ccc2c1 ZINC000790075951 1077923808 /nfs/dbraw/zinc/92/38/08/1077923808.db2.gz MMHGDSYKDZMMPX-UHFFFAOYSA-N -1 3 404.426 2.935 20 0 HFADHM COc1ccc2cc(CN(C)C(=O)COC(=O)c3cccc4[n-]nnc43)ccc2c1 ZINC000790075951 1077923813 /nfs/dbraw/zinc/92/38/13/1077923813.db2.gz MMHGDSYKDZMMPX-UHFFFAOYSA-N -1 3 404.426 2.935 20 0 HFADHM COc1ccc2cc(CN(C)C(=O)COC(=O)c3cccc4n[n-]nc43)ccc2c1 ZINC000790075951 1077923815 /nfs/dbraw/zinc/92/38/15/1077923815.db2.gz MMHGDSYKDZMMPX-UHFFFAOYSA-N -1 3 404.426 2.935 20 0 HFADHM Cc1ccc([C@H](O)CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1 ZINC000772748176 1077938339 /nfs/dbraw/zinc/93/83/39/1077938339.db2.gz OEKVPRPAMBWRCY-LJQANCHMSA-N -1 3 417.462 2.726 20 0 HFADHM CCN(CC)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000790125512 1077959283 /nfs/dbraw/zinc/95/92/83/1077959283.db2.gz FCYOINLEPKWBLD-SFHVURJKSA-N -1 3 421.563 2.871 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C[C@@H]3OC(=O)c4ccccc43)c2)[n-]1 ZINC000790159836 1077961984 /nfs/dbraw/zinc/96/19/84/1077961984.db2.gz MNZGCJFXOISDRR-KRWDZBQOSA-N -1 3 420.425 2.566 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C[C@@H]3OC(=O)c4ccccc43)c2)n[n-]1 ZINC000790159836 1077961985 /nfs/dbraw/zinc/96/19/85/1077961985.db2.gz MNZGCJFXOISDRR-KRWDZBQOSA-N -1 3 420.425 2.566 20 0 HFADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2cc(F)c(F)cc2C)cc1F ZINC000790414217 1078021252 /nfs/dbraw/zinc/02/12/52/1078021252.db2.gz MIWASFOOFWKIRY-UHFFFAOYSA-N -1 3 409.407 2.942 20 0 HFADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1cncc(Br)c1)C1CC1 ZINC000790432133 1078028752 /nfs/dbraw/zinc/02/87/52/1078028752.db2.gz BPLIHXRUGBHXNX-GFCCVEGCSA-N -1 3 419.732 2.969 20 0 HFADHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747319910 1079577127 /nfs/dbraw/zinc/57/71/27/1079577127.db2.gz IHTRRYLYDFOCAA-UHFFFAOYSA-N -1 3 419.526 2.604 20 0 HFADHM CN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000806982509 1080193222 /nfs/dbraw/zinc/19/32/22/1080193222.db2.gz UNICBRZESJIBQA-GFCCVEGCSA-N -1 3 407.417 2.888 20 0 HFADHM CNC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000806987632 1080199793 /nfs/dbraw/zinc/19/97/93/1080199793.db2.gz IWCYPZOKLXISPP-GFCCVEGCSA-N -1 3 400.273 2.575 20 0 HFADHM CCNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000806987614 1080199822 /nfs/dbraw/zinc/19/98/22/1080199822.db2.gz IRIGTPGKPVPSAP-ZDUSSCGKSA-N -1 3 414.300 2.965 20 0 HFADHM CON(CC(C)(C)C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000807455646 1080635414 /nfs/dbraw/zinc/63/54/14/1080635414.db2.gz RJRMGYJLVLEMHK-UHFFFAOYSA-N -1 3 412.339 2.891 20 0 HFADHM CC[C@H](OC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)C(=O)OC ZINC000807577703 1080789740 /nfs/dbraw/zinc/78/97/40/1080789740.db2.gz ZCZJUIYLHHFHAP-LBPRGKRZSA-N -1 3 410.275 2.543 20 0 HFADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000426758238 1126088431 /nfs/dbraw/zinc/08/84/31/1126088431.db2.gz HBRXFZNZSPLPJV-GFCCVEGCSA-N -1 3 419.787 2.960 20 0 HFADHM Cn1c(CN[C@@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])nc2cc(Cl)ccc21 ZINC001116780012 1126146029 /nfs/dbraw/zinc/14/60/29/1126146029.db2.gz KJMRSOKFXXNERX-KRWDZBQOSA-N -1 3 410.865 2.593 20 0 HFADHM CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]21 ZINC001164824880 720421596 /nfs/dbraw/zinc/42/15/96/720421596.db2.gz LUQUDNPHCDEWAB-GRYCIOLGSA-N -1 3 420.913 2.577 20 0 HFADHM COc1cccc2[nH]cc(CC(=O)N[C@@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)c21 ZINC001263628729 939829041 /nfs/dbraw/zinc/82/90/41/939829041.db2.gz GWYYCEZHSSLRCC-DEOSSOPVSA-N -1 3 421.497 2.955 20 0 HFADHM O=C(NC[C@@H]1CCSC1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000790581219 1078060899 /nfs/dbraw/zinc/06/08/99/1078060899.db2.gz RFYCHIGVFQHIGZ-VIFPVBQESA-N -1 3 409.360 2.917 20 0 HFADHM O=C(NOCc1cccnc1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000746945120 1078135945 /nfs/dbraw/zinc/13/59/45/1078135945.db2.gz DMWXBORWPXZSNM-UHFFFAOYSA-N -1 3 416.286 2.691 20 0 HFADHM CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793467043 1078181600 /nfs/dbraw/zinc/18/16/00/1078181600.db2.gz HYPBDAUGJORMOF-KBPBESRZSA-N -1 3 421.460 2.693 20 0 HFADHM CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793467045 1078181669 /nfs/dbraw/zinc/18/16/69/1078181669.db2.gz HYPBDAUGJORMOF-UONOGXRCSA-N -1 3 421.460 2.693 20 0 HFADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C[C@@H]3CCCOC3)c2)cc1 ZINC000793512482 1078195909 /nfs/dbraw/zinc/19/59/09/1078195909.db2.gz MKNIZYLARYDFTC-KRWDZBQOSA-N -1 3 418.515 2.929 20 0 HFADHM NS(=O)(=O)c1cc(C(=O)[N-]c2ccc(F)c(F)c2F)sc1Br ZINC000747131254 1078210272 /nfs/dbraw/zinc/21/02/72/1078210272.db2.gz WMLDHYCZGYJCOO-UHFFFAOYSA-N -1 3 415.212 2.828 20 0 HFADHM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000747152516 1078325364 /nfs/dbraw/zinc/32/53/64/1078325364.db2.gz NTCDFSKDPSLZDB-IJEWVQPXSA-N -1 3 417.453 2.979 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)[n-]1 ZINC000793964431 1078348319 /nfs/dbraw/zinc/34/83/19/1078348319.db2.gz UEUKTMVXFBUDTK-CQSZACIVSA-N -1 3 402.451 2.833 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)c[n-]1 ZINC000793964431 1078348323 /nfs/dbraw/zinc/34/83/23/1078348323.db2.gz UEUKTMVXFBUDTK-CQSZACIVSA-N -1 3 402.451 2.833 20 0 HFADHM Cc1nnc(N(C)C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)s1 ZINC000794002135 1078360178 /nfs/dbraw/zinc/36/01/78/1078360178.db2.gz MRJUSEHLKREAGX-UHFFFAOYSA-N -1 3 421.331 2.871 20 0 HFADHM C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)C1 ZINC000794199686 1078384046 /nfs/dbraw/zinc/38/40/46/1078384046.db2.gz IYPOWQYDIYYSBE-LRDDRELGSA-N -1 3 418.494 2.557 20 0 HFADHM Cn1c(=O)n(C)c2cc(NC(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)c([O-])cc21 ZINC000794212902 1078394123 /nfs/dbraw/zinc/39/41/23/1078394123.db2.gz WEHFURFTVWNXQX-HNNXBMFYSA-N -1 3 410.257 2.952 20 0 HFADHM Cc1ccc([C@H](O)[C@@H](C)NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000804476842 1078518863 /nfs/dbraw/zinc/51/88/63/1078518863.db2.gz PGGVPYDTULZZLP-IIBYNOLFSA-N -1 3 406.486 2.620 20 0 HFADHM Cc1ccc([C@@H](O)[C@H](C)NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000804476843 1078519013 /nfs/dbraw/zinc/51/90/13/1078519013.db2.gz PGGVPYDTULZZLP-KKSFZXQISA-N -1 3 406.486 2.620 20 0 HFADHM COC(=O)c1cc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)c(C)s1 ZINC001129602215 1078574697 /nfs/dbraw/zinc/57/46/97/1078574697.db2.gz NFRDFFPYELOXLB-UHFFFAOYSA-N -1 3 412.489 2.781 20 0 HFADHM CCc1cccc(C(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1[O-] ZINC000804761925 1078614926 /nfs/dbraw/zinc/61/49/26/1078614926.db2.gz ODGRQURPZAOPAJ-QGZVFWFLSA-N -1 3 403.523 2.722 20 0 HFADHM CCc1ccc(C(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c([O-])c1 ZINC000804763126 1078616447 /nfs/dbraw/zinc/61/64/47/1078616447.db2.gz HAYQOMSKLONLJJ-QGZVFWFLSA-N -1 3 403.523 2.722 20 0 HFADHM CCc1cccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)OC)c1[O-] ZINC000804882648 1078708109 /nfs/dbraw/zinc/70/81/09/1078708109.db2.gz NOBSUPUVUQFZRI-INIZCTEOSA-N -1 3 406.479 2.579 20 0 HFADHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cnc(Cl)c(F)c1 ZINC000804968755 1078804420 /nfs/dbraw/zinc/80/44/20/1078804420.db2.gz FILRCGAAQKQLJN-JTQLQIEISA-N -1 3 405.829 2.957 20 0 HFADHM O=S(=O)([N-]Cc1cccc2c1OCCO2)c1c(F)cccc1OC(F)(F)F ZINC000804985335 1078822214 /nfs/dbraw/zinc/82/22/14/1078822214.db2.gz YRGOXKVATCALEI-UHFFFAOYSA-N -1 3 407.341 2.974 20 0 HFADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)NC(=O)OC(C)(C)C ZINC000805006172 1078851404 /nfs/dbraw/zinc/85/14/04/1078851404.db2.gz YFDDJIARUZTSDN-LLVKDONJSA-N -1 3 411.446 2.928 20 0 HFADHM C[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000805079752 1078910036 /nfs/dbraw/zinc/91/00/36/1078910036.db2.gz PHGFVWKIONYJIH-VIFPVBQESA-N -1 3 416.393 2.916 20 0 HFADHM Cc1ccc([C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000805086516 1078915664 /nfs/dbraw/zinc/91/56/64/1078915664.db2.gz BYHBANZERWQIBL-IAQYHMDHSA-N -1 3 420.915 2.635 20 0 HFADHM O=S(=O)([N-]C[C@H](O)c1cccc(Br)c1)c1cnc(Cl)c(F)c1 ZINC000805091069 1078917288 /nfs/dbraw/zinc/91/72/88/1078917288.db2.gz ASSUPRAUHXWOGL-LBPRGKRZSA-N -1 3 409.664 2.649 20 0 HFADHM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1ccccc1S(=O)(=O)C(F)F ZINC000805090330 1078917664 /nfs/dbraw/zinc/91/76/64/1078917664.db2.gz MEZLAVSFIFRDAD-JTQLQIEISA-N -1 3 403.419 2.787 20 0 HFADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805121889 1078920840 /nfs/dbraw/zinc/92/08/40/1078920840.db2.gz KWWBNTCLSABVPK-CYBMUJFWSA-N -1 3 421.368 2.643 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)ccc1F ZINC001130260580 1079125861 /nfs/dbraw/zinc/12/58/61/1079125861.db2.gz UEHQLGMHUWKZKU-SJLPKXTDSA-N -1 3 421.494 2.558 20 0 HFADHM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000805842633 1079290425 /nfs/dbraw/zinc/29/04/25/1079290425.db2.gz WBUGNBMUSKSSRQ-UHFFFAOYSA-N -1 3 400.500 2.606 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]CC[S@](=O)C(C)(C)C)c(Cl)cc1Cl ZINC000747273792 1079301775 /nfs/dbraw/zinc/30/17/75/1079301775.db2.gz RJXPUBCSIZFHEE-QHCPKHFHSA-N -1 3 416.348 2.606 20 0 HFADHM Cc1ccccc1C[C@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000787352626 1076793054 /nfs/dbraw/zinc/79/30/54/1076793054.db2.gz GNLIHRBQZAUWRC-QGZVFWFLSA-N -1 3 422.522 2.544 20 0 HFADHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000746687824 1076836670 /nfs/dbraw/zinc/83/66/70/1076836670.db2.gz KSQHADINBGFODS-WBVHZDCISA-N -1 3 408.527 2.637 20 0 HFADHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000746687823 1076836698 /nfs/dbraw/zinc/83/66/98/1076836698.db2.gz KSQHADINBGFODS-RDJZCZTQSA-N -1 3 408.527 2.637 20 0 HFADHM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000746693156 1076871323 /nfs/dbraw/zinc/87/13/23/1076871323.db2.gz MPUUTTJHNASKFK-DYVFJYSZSA-N -1 3 413.927 2.677 20 0 HFADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787839756 1076959792 /nfs/dbraw/zinc/95/97/92/1076959792.db2.gz DINVMPAEEKDTQF-HNNXBMFYSA-N -1 3 404.829 2.807 20 0 HFADHM O=C(CCN1C(=O)c2ccccc2C1=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787844385 1076961528 /nfs/dbraw/zinc/96/15/28/1076961528.db2.gz KDOPHLVLEQMEDJ-UHFFFAOYSA-N -1 3 413.401 2.653 20 0 HFADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000787850802 1076964329 /nfs/dbraw/zinc/96/43/29/1076964329.db2.gz RWBNPHLUTXQBOL-ZDUSSCGKSA-N -1 3 400.406 2.771 20 0 HFADHM COC(=O)c1cnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)[n-]1 ZINC000788504950 1077184755 /nfs/dbraw/zinc/18/47/55/1077184755.db2.gz IOVBLHWHIZFWOQ-UHFFFAOYSA-N -1 3 402.476 2.600 20 0 HFADHM COc1ccc(C(=O)N2CCC[C@@H](C(=O)[N-]OC[C@H]3CCOC3)C2)c2ccccc12 ZINC000788574596 1077210948 /nfs/dbraw/zinc/21/09/48/1077210948.db2.gz OBFSCGWBZXWIHV-DLBZAZTESA-N -1 3 412.486 2.785 20 0 HFADHM COc1ccc(CCS(=O)(=O)[N-][C@H](C)c2nc(Cc3ccccc3)no2)cc1 ZINC000788645607 1077224026 /nfs/dbraw/zinc/22/40/26/1077224026.db2.gz PSTGZWMJRIXXCP-OAHLLOKOSA-N -1 3 401.488 2.892 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)c2nnc(C(C)C)[nH]2)c(C)c1Cl ZINC000788658632 1077256289 /nfs/dbraw/zinc/25/62/89/1077256289.db2.gz USMODFVMEHIMHU-MRVPVSSYSA-N -1 3 406.917 2.778 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CN(C)Cc3ccccc32)c(C)c1Cl ZINC000788659686 1077256854 /nfs/dbraw/zinc/25/68/54/1077256854.db2.gz IAKJGUHETQBRGF-CYBMUJFWSA-N -1 3 414.936 2.962 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@]2(C)CCO[C@@H]2C2CC2)c(C)c1Cl ZINC000788666502 1077260090 /nfs/dbraw/zinc/26/00/90/1077260090.db2.gz NFYPPCCLNHJXOH-CJNGLKHVSA-N -1 3 407.941 2.980 20 0 HFADHM Cc1ccc2c(c1)CCN(C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C2 ZINC000790991983 1077263271 /nfs/dbraw/zinc/26/32/71/1077263271.db2.gz SJPTWUDVEFPYIY-AWEZNQCLSA-N -1 3 407.923 2.685 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3cccs3)nn2C)ccc1F ZINC000791013442 1077270650 /nfs/dbraw/zinc/27/06/50/1077270650.db2.gz ZNCYBYOJCYXPOU-UHFFFAOYSA-N -1 3 423.495 2.622 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@@H](C)COc3ccccc3)c2)[n-]1 ZINC000788889455 1077332542 /nfs/dbraw/zinc/33/25/42/1077332542.db2.gz UTNOMAYCDHOFPB-HNNXBMFYSA-N -1 3 423.473 2.915 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@@H](C)COc3ccccc3)c2)n[n-]1 ZINC000788889455 1077332548 /nfs/dbraw/zinc/33/25/48/1077332548.db2.gz UTNOMAYCDHOFPB-HNNXBMFYSA-N -1 3 423.473 2.915 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CN2CCCCC2)c(Cl)cc1Cl ZINC000788920008 1077356017 /nfs/dbraw/zinc/35/60/17/1077356017.db2.gz MZIHUBXVPQFTPH-NSHDSACASA-N -1 3 409.335 2.933 20 0 HFADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000788949633 1077358751 /nfs/dbraw/zinc/35/87/51/1077358751.db2.gz IBWWMUKTTFWDQW-HNNXBMFYSA-N -1 3 422.528 2.544 20 0 HFADHM CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000772728323 1077362062 /nfs/dbraw/zinc/36/20/62/1077362062.db2.gz DJLLBWLDUASLSJ-GOSISDBHSA-N -1 3 422.522 2.926 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCCSC(C)(C)C)c2)[n-]1 ZINC000788963831 1077365005 /nfs/dbraw/zinc/36/50/05/1077365005.db2.gz HBGNMFIYFVQXQW-UHFFFAOYSA-N -1 3 405.524 2.979 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NCCSC(C)(C)C)c2)n[n-]1 ZINC000788963831 1077365011 /nfs/dbraw/zinc/36/50/11/1077365011.db2.gz HBGNMFIYFVQXQW-UHFFFAOYSA-N -1 3 405.524 2.979 20 0 HFADHM Cn1cc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)nc1Cl ZINC000788934387 1077368245 /nfs/dbraw/zinc/36/82/45/1077368245.db2.gz IGZYXDMULOHOJP-SNVBAGLBSA-N -1 3 409.726 2.938 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CC3(CCC3)C(=O)O2)ccc1F ZINC000791324066 1077373669 /nfs/dbraw/zinc/37/36/69/1077373669.db2.gz IODUKTFGMGLXFH-ZDUSSCGKSA-N -1 3 413.467 2.545 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)c2ccccc2C(F)(F)F)c(C)o1 ZINC000789066436 1077395956 /nfs/dbraw/zinc/39/59/56/1077395956.db2.gz SPVFQBMLRNAYKL-JTQLQIEISA-N -1 3 419.377 2.943 20 0 HFADHM C[C@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)c1ccccc1Br ZINC000789072251 1077396833 /nfs/dbraw/zinc/39/68/33/1077396833.db2.gz HAUDTAFZEVSKFK-IINYFYTJSA-N -1 3 420.325 2.527 20 0 HFADHM C[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)c1ccccc1Br ZINC000789072249 1077396923 /nfs/dbraw/zinc/39/69/23/1077396923.db2.gz HAUDTAFZEVSKFK-HZMBPMFUSA-N -1 3 420.325 2.527 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(-n3ccnc3)cc2C)ccc1F ZINC000791404938 1077400227 /nfs/dbraw/zinc/40/02/27/1077400227.db2.gz JIIALKYVDUUNNQ-UHFFFAOYSA-N -1 3 403.435 2.585 20 0 HFADHM CC[C@@H](C)n1ncc(NC(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c1C ZINC000791572954 1077466790 /nfs/dbraw/zinc/46/67/90/1077466790.db2.gz AEQMVANYVGYFJR-VXGBXAGGSA-N -1 3 413.931 2.907 20 0 HFADHM Cc1cc(C)c(N2CC[C@@H](N3CCN(C(=O)c4ccc([O-])cc4)CC3)C2=O)c(C)c1 ZINC000789336596 1077527058 /nfs/dbraw/zinc/52/70/58/1077527058.db2.gz PQZIGMJBAYYFPL-OAQYLSRUSA-N -1 3 407.514 2.881 20 0 HFADHM O=S(=O)([N-]C[C@@H](O)c1c(F)cccc1F)c1ccc(Br)cc1F ZINC000772737000 1077560820 /nfs/dbraw/zinc/56/08/20/1077560820.db2.gz PNAHAYRJVWBILR-GFCCVEGCSA-N -1 3 410.211 2.878 20 0 HFADHM COCCOC(=O)c1sc2[n-]c(CN3C[C@H](C)C[C@H](C)[C@H]3C)nc(=O)c2c1C ZINC000789449705 1077579195 /nfs/dbraw/zinc/57/91/95/1077579195.db2.gz IYQZWQCWZJIMRM-MBNYWOFBSA-N -1 3 407.536 2.963 20 0 HFADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)NC(=O)OC(C)(C)C ZINC000792140630 1077720002 /nfs/dbraw/zinc/72/00/02/1077720002.db2.gz CYHJNVPBSWKWAQ-JTQLQIEISA-N -1 3 402.289 2.867 20 0 HFADHM COCCOC(=O)c1sc2[n-]c(CN3CCC[C@H]3C3CCC3)nc(=O)c2c1C ZINC000772743370 1077739346 /nfs/dbraw/zinc/73/93/46/1077739346.db2.gz VBEFLJUQLCOJLJ-AWEZNQCLSA-N -1 3 405.520 2.861 20 0 HFADHM CCOC(=O)c1ccc(NC(=O)[C@H]2CC(c3cc(OC)ccc3OC)=NO2)c([O-])c1 ZINC000792275792 1077790415 /nfs/dbraw/zinc/79/04/15/1077790415.db2.gz KGNFEWMLEDDWQD-LJQANCHMSA-N -1 3 414.414 2.718 20 0 HFADHM CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCc4c(nc[n-]c4=O)C3)cc2CC1 ZINC000789849496 1077838376 /nfs/dbraw/zinc/83/83/76/1077838376.db2.gz GHDKWFZPIOZTIT-UHFFFAOYSA-N -1 3 424.501 2.716 20 0 HFADHM O=C1SCCN1Cc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000789866988 1077843853 /nfs/dbraw/zinc/84/38/53/1077843853.db2.gz AZHIQEQCKNYTID-UHFFFAOYSA-N -1 3 407.253 2.953 20 0 HFADHM COC(=O)NCCCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000789867061 1077843901 /nfs/dbraw/zinc/84/39/01/1077843901.db2.gz DTEIVOJRBLQKDY-UHFFFAOYSA-N -1 3 407.228 2.573 20 0 HFADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000792412956 1077861251 /nfs/dbraw/zinc/86/12/51/1077861251.db2.gz IJBJEEGDLFVJRX-UHFFFAOYSA-N -1 3 400.435 2.698 20 0 HFADHM C[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)NC(=O)OC(C)(C)C ZINC000792506761 1077894953 /nfs/dbraw/zinc/89/49/53/1077894953.db2.gz KUUOUHGHCSYRJP-JTQLQIEISA-N -1 3 424.295 2.934 20 0 HFADHM CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H](O)c1ccccc1 ZINC000792574646 1077913345 /nfs/dbraw/zinc/91/33/45/1077913345.db2.gz NYFQBXMRCMLSJP-DYVFJYSZSA-N -1 3 416.952 2.698 20 0 HFADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(C)CCCCCO)c2)c1 ZINC000790142516 1077955619 /nfs/dbraw/zinc/95/56/19/1077955619.db2.gz RZYCLCKGHUVBSX-UHFFFAOYSA-N -1 3 416.474 2.896 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccc(OC)c(Cl)n3)c2)[n-]1 ZINC000790160250 1077962676 /nfs/dbraw/zinc/96/26/76/1077962676.db2.gz PCKWSRHAAXALQU-UHFFFAOYSA-N -1 3 415.837 2.635 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccc(OC)c(Cl)n3)c2)n[n-]1 ZINC000790160250 1077962679 /nfs/dbraw/zinc/96/26/79/1077962679.db2.gz PCKWSRHAAXALQU-UHFFFAOYSA-N -1 3 415.837 2.635 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)COc3ccc4c(c3)CCC4)c2)[n-]1 ZINC000790160194 1077962686 /nfs/dbraw/zinc/96/26/86/1077962686.db2.gz NFCXCHHPPMRZEB-UHFFFAOYSA-N -1 3 420.469 2.832 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)COc3ccc4c(c3)CCC4)c2)n[n-]1 ZINC000790160194 1077962687 /nfs/dbraw/zinc/96/26/87/1077962687.db2.gz NFCXCHHPPMRZEB-UHFFFAOYSA-N -1 3 420.469 2.832 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cc(=O)c4ccccc4o3)c2)[n-]1 ZINC000790160235 1077962732 /nfs/dbraw/zinc/96/27/32/1077962732.db2.gz OQMQSVXCBNSVFW-UHFFFAOYSA-N -1 3 418.409 2.685 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cc(=O)c4ccccc4o3)c2)n[n-]1 ZINC000790160235 1077962733 /nfs/dbraw/zinc/96/27/33/1077962733.db2.gz OQMQSVXCBNSVFW-UHFFFAOYSA-N -1 3 418.409 2.685 20 0 HFADHM O=C(COC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)[N-]C(=O)c1cccs1 ZINC000792709382 1077979912 /nfs/dbraw/zinc/97/99/12/1077979912.db2.gz ANHRQFOHBGDNPY-LJQANCHMSA-N -1 3 422.462 2.719 20 0 HFADHM CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000792771670 1077998115 /nfs/dbraw/zinc/99/81/15/1077998115.db2.gz JBXGBJDZHRUELN-BLLLJJGKSA-N -1 3 424.346 2.814 20 0 HFADHM Cc1ccc(NC(=O)c2nnc3ccccc3c2[O-])c(C)c1S(=O)(=O)NC1CC1 ZINC000792829764 1078007310 /nfs/dbraw/zinc/00/73/10/1078007310.db2.gz DGLWRCZNWPIAOU-UHFFFAOYSA-N -1 3 412.471 2.645 20 0 HFADHM CC(C)[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H](O)c1ccccc1 ZINC000790395151 1078014137 /nfs/dbraw/zinc/01/41/37/1078014137.db2.gz PRISJEZOFPBZOE-IRXDYDNUSA-N -1 3 416.952 2.554 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)[nH]c2=O)c(Br)cc1F ZINC000790405730 1078019346 /nfs/dbraw/zinc/01/93/46/1078019346.db2.gz ZHQIXWZGVLWNFL-UHFFFAOYSA-N -1 3 419.228 2.585 20 0 HFADHM CC(C)(C)OC(=O)N[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000790448332 1078035218 /nfs/dbraw/zinc/03/52/18/1078035218.db2.gz QOSXTTCKZDQZGR-DTORHVGOSA-N -1 3 411.343 2.845 20 0 HFADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]Cc1cnc2n1CCCC2 ZINC000790456303 1078037407 /nfs/dbraw/zinc/03/74/07/1078037407.db2.gz FNKSVABBGASAQP-UHFFFAOYSA-N -1 3 418.288 2.608 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2cnc3n2CCCC3)c(C)c1Cl ZINC000790456362 1078037484 /nfs/dbraw/zinc/03/74/84/1078037484.db2.gz HLMTWJWPDMCQFH-UHFFFAOYSA-N -1 3 403.913 2.508 20 0 HFADHM Cc1cc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000747390144 1080507662 /nfs/dbraw/zinc/50/76/62/1080507662.db2.gz MNOKKXDBPCWQFN-CQSZACIVSA-N -1 3 405.442 2.565 20 0 HFADHM O=C([N-]c1ncc(F)cc1Br)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC001130936432 1080560115 /nfs/dbraw/zinc/56/01/15/1080560115.db2.gz HSTXYODDUPFKGO-UHFFFAOYSA-N -1 3 418.244 2.613 20 0 HFADHM COc1cccc(C[C@H](NCc2ccc(OC)c(O)c2Br)C(=O)[O-])c1 ZINC000426810400 1126091892 /nfs/dbraw/zinc/09/18/92/1126091892.db2.gz ZFKVNQOADAIGRL-AWEZNQCLSA-N -1 3 410.264 2.957 20 0 HFADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001164897777 721487143 /nfs/dbraw/zinc/48/71/43/721487143.db2.gz UIYVQIOXAHSAID-NSHDSACASA-N -1 3 411.869 2.693 20 0 HFADHM CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)CC1 ZINC000780401943 939116718 /nfs/dbraw/zinc/11/67/18/939116718.db2.gz AQHIQSKBJSOEDP-OAQYLSRUSA-N -1 3 416.566 2.657 20 0 HFADHM COc1ccc(OCC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1C ZINC001123268141 939816998 /nfs/dbraw/zinc/81/69/98/939816998.db2.gz NYEULYZGOJSFKO-QHCPKHFHSA-N -1 3 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ZINC000793387853 1078163199 /nfs/dbraw/zinc/16/31/99/1078163199.db2.gz IKCNGULCDGJEAX-UHFFFAOYSA-N -1 3 419.551 2.734 20 0 HFADHM O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000747152518 1078325371 /nfs/dbraw/zinc/32/53/71/1078325371.db2.gz NTCDFSKDPSLZDB-YCPHGPKFSA-N -1 3 417.453 2.979 20 0 HFADHM COCN1C(=O)CCc2cc(NC(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)ccc21 ZINC000793910487 1078335471 /nfs/dbraw/zinc/33/54/71/1078335471.db2.gz IXWHZHGCSHFMRK-UHFFFAOYSA-N -1 3 413.380 2.942 20 0 HFADHM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2ccccc2CN(C)C)c1 ZINC000794020077 1078362430 /nfs/dbraw/zinc/36/24/30/1078362430.db2.gz SXXJQKCCOJIMCA-UHFFFAOYSA-N -1 3 406.504 2.872 20 0 HFADHM O=C(NC[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])OCO3)C1)OCc1ccccc1 ZINC000794035994 1078371084 /nfs/dbraw/zinc/37/10/84/1078371084.db2.gz ZOLFMVFSAISKQI-INIZCTEOSA-N -1 3 412.442 2.900 20 0 HFADHM C[C@]1(NC(=O)c2nnc3ccccc3c2[O-])CCN(C(=O)OCc2ccccc2)C1 ZINC000794221747 1078386173 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COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](CCO)c2ccccc2)c(C)c1Cl ZINC000788634077 1077238949 /nfs/dbraw/zinc/23/89/49/1077238949.db2.gz JVMFFUILWLBJLI-ZDUSSCGKSA-N -1 3 417.936 2.941 20 0 HFADHM O=C1[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCN1Cc1ccc(F)cc1 ZINC000790934792 1077239799 /nfs/dbraw/zinc/23/97/99/1077239799.db2.gz DXWJWSKGTFBHJC-CQSZACIVSA-N -1 3 418.277 2.607 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCCC(=O)OC(C)(C)C)c(C)c1Cl ZINC000788640948 1077243826 /nfs/dbraw/zinc/24/38/26/1077243826.db2.gz LSQHVPNKGBTKJK-UHFFFAOYSA-N -1 3 411.929 2.897 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CO)Cc2ccc(C)cc2)c(C)c1Cl ZINC000788677848 1077247264 /nfs/dbraw/zinc/24/72/64/1077247264.db2.gz HXILCZUFOBUVEV-ZDUSSCGKSA-N -1 3 417.936 2.687 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@](C)(O)c2ccc(F)cc2)c(C)c1Cl ZINC000788662314 1077257706 /nfs/dbraw/zinc/25/77/06/1077257706.db2.gz RKCJAYOAKNOTEZ-INIZCTEOSA-N -1 3 421.899 2.822 20 0 HFADHM C/C=C\C[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)OCC ZINC000788666888 1077260494 /nfs/dbraw/zinc/26/04/94/1077260494.db2.gz BMODOJQBOPGQDB-ONRRBMGISA-N -1 3 409.913 2.673 20 0 HFADHM CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCc4nc[n-]c(=O)c4C3)cc2CC1 ZINC000788925133 1077337991 /nfs/dbraw/zinc/33/79/91/1077337991.db2.gz CLCVTTQEYKUPFB-UHFFFAOYSA-N -1 3 424.501 2.716 20 0 HFADHM Cc1cc(S(=O)(=O)[N-]CC2CCN(C(=O)C(F)(F)F)CC2)sc1Cl ZINC000788898537 1077344092 /nfs/dbraw/zinc/34/40/92/1077344092.db2.gz MHLPCNAKMRMXOJ-UHFFFAOYSA-N -1 3 404.863 2.789 20 0 HFADHM O=C1[C@H]([N-]S(=O)(=O)C2=Cc3ccccc3OC2)CCCN1c1ccccc1F ZINC000788902071 1077345807 /nfs/dbraw/zinc/34/58/07/1077345807.db2.gz AKASLZAGBAMBIO-QGZVFWFLSA-N -1 3 402.447 2.674 20 0 HFADHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000788949634 1077358772 /nfs/dbraw/zinc/35/87/72/1077358772.db2.gz IBWWMUKTTFWDQW-OAHLLOKOSA-N -1 3 422.528 2.544 20 0 HFADHM C[C@H](OC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1nnnn1C1CC1 ZINC000791324160 1077374414 /nfs/dbraw/zinc/37/44/14/1077374414.db2.gz USEVCMULNAWPIV-LIRRHRJNSA-N -1 3 421.457 2.879 20 0 HFADHM COCCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)[C@@H]1CC[C@@H](C)C1 ZINC000791771607 1077547385 /nfs/dbraw/zinc/54/73/85/1077547385.db2.gz PFWYJRHXZMOVGC-GDBMZVCRSA-N -1 3 400.516 2.790 20 0 HFADHM CCCCOc1ccc(C(=O)COC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)cc1 ZINC000791995953 1077641362 /nfs/dbraw/zinc/64/13/62/1077641362.db2.gz UQKDJXUOLGPIDN-UHFFFAOYSA-N -1 3 409.460 2.715 20 0 HFADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c([O-])c1 ZINC000789894714 1077853724 /nfs/dbraw/zinc/85/37/24/1077853724.db2.gz MHPWJQQMTRXKKP-IBGZPJMESA-N -1 3 423.513 2.667 20 0 HFADHM O=C([N-][C@@H]1CCN(c2cccc(Br)c2)C1=O)C(F)(F)C1CCOCC1 ZINC000772795994 1077857437 /nfs/dbraw/zinc/85/74/37/1077857437.db2.gz FDHUIMUWWUCWSU-CQSZACIVSA-N -1 3 417.250 2.733 20 0 HFADHM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NCc2ncccc2[O-])cc1 ZINC000792412905 1077860998 /nfs/dbraw/zinc/86/09/98/1077860998.db2.gz GQIZGRVNRRXCOI-CYBMUJFWSA-N -1 3 414.462 2.628 20 0 HFADHM CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000792412203 1077862123 /nfs/dbraw/zinc/86/21/23/1077862123.db2.gz HWAYVBBDWZUIRO-UHFFFAOYSA-N -1 3 419.437 2.886 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCc2cc(F)ccc2F)ccc1F ZINC000746867717 1077885657 /nfs/dbraw/zinc/88/56/57/1077885657.db2.gz CNOHQTBYGQUADD-UHFFFAOYSA-N -1 3 400.422 2.763 20 0 HFADHM CCC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H](O)c1ccccc1 ZINC000792562387 1077912417 /nfs/dbraw/zinc/91/24/17/1077912417.db2.gz GTBPRJLJAOHMBV-UYAOXDASSA-N -1 3 420.506 2.899 20 0 HFADHM C[C@H](NC(=O)CN1CCC(c2n[n-]c(=O)o2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC001170243733 1077915817 /nfs/dbraw/zinc/91/58/17/1077915817.db2.gz IGVATCIYJYFFRC-NSHDSACASA-N -1 3 414.384 2.731 20 0 HFADHM C[C@H]([N-]S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1)c1nc(C2CCCCC2)no1 ZINC000790029425 1077919556 /nfs/dbraw/zinc/91/95/56/1077919556.db2.gz NEEQVJBVWLGHAV-LBPRGKRZSA-N -1 3 414.528 2.717 20 0 HFADHM COc1ccc(NC(=O)c2n[nH]nc2C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000790070416 1077921492 /nfs/dbraw/zinc/92/14/92/1077921492.db2.gz QUJGBDAVEUPJEG-UHFFFAOYSA-N -1 3 421.866 2.828 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(c2ccccc2)[C@@H]2CCOC2)ccc1F ZINC000792607428 1077934833 /nfs/dbraw/zinc/93/48/33/1077934833.db2.gz VDGWJVMDUGHLCH-QGZVFWFLSA-N -1 3 406.479 2.948 20 0 HFADHM CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ncccc2[O-])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000792613862 1077939191 /nfs/dbraw/zinc/93/91/91/1077939191.db2.gz VNRIXNDSLIVZTE-QTPGKHNVSA-N -1 3 405.495 2.502 20 0 HFADHM C[C@H](CC(=O)N1CCSC(C)(C)CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000790139544 1077954780 /nfs/dbraw/zinc/95/47/80/1077954780.db2.gz CQOXBGABKKQSQA-GFCCVEGCSA-N -1 3 405.973 2.536 20 0 HFADHM Cn1nc([C@H]2CCCO2)cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000790121359 1077957643 /nfs/dbraw/zinc/95/76/43/1077957643.db2.gz DKLOCXWGFQYKAI-OAHLLOKOSA-N -1 3 424.498 2.740 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C[C@H]3CSCCS3)c2)[n-]1 ZINC000790158500 1077961692 /nfs/dbraw/zinc/96/16/92/1077961692.db2.gz OCOQWZWFKVGFIM-AWEZNQCLSA-N -1 3 406.533 2.503 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C[C@H]3CSCCS3)c2)n[n-]1 ZINC000790158500 1077961693 /nfs/dbraw/zinc/96/16/93/1077961693.db2.gz OCOQWZWFKVGFIM-AWEZNQCLSA-N -1 3 406.533 2.503 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C=Cc3ccc(OC)cc3)c2)[n-]1 ZINC000790159270 1077961966 /nfs/dbraw/zinc/96/19/66/1077961966.db2.gz IJDHKDVIMDISBL-FMIVXFBMSA-N -1 3 406.442 2.987 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C=Cc3ccc(OC)cc3)c2)n[n-]1 ZINC000790159270 1077961967 /nfs/dbraw/zinc/96/19/67/1077961967.db2.gz IJDHKDVIMDISBL-FMIVXFBMSA-N -1 3 406.442 2.987 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1F ZINC000790153033 1077966118 /nfs/dbraw/zinc/96/61/18/1077966118.db2.gz XHZCVXSDOMZIKS-UHFFFAOYSA-N -1 3 422.453 2.608 20 0 HFADHM Cc1nc(Cl)ccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000790246639 1077975744 /nfs/dbraw/zinc/97/57/44/1077975744.db2.gz PGNZUXZNMASWKO-UHFFFAOYSA-N -1 3 424.729 2.784 20 0 HFADHM Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)c(C)c1S(=O)(=O)NC1CC1 ZINC000792833543 1078007816 /nfs/dbraw/zinc/00/78/16/1078007816.db2.gz RDXGWXIOWYVPBL-UHFFFAOYSA-N -1 3 411.483 2.838 20 0 HFADHM Nc1nc(Cl)cc(=N[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)[nH]1 ZINC000790398844 1078025340 /nfs/dbraw/zinc/02/53/40/1078025340.db2.gz UYMUQKBYNGOHMH-UHFFFAOYSA-N -1 3 418.306 2.850 20 0 HFADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cc(Br)ncc2Cl)CC1 ZINC000806434586 1079682548 /nfs/dbraw/zinc/68/25/48/1079682548.db2.gz OZJVXPGBVMEMBU-UHFFFAOYSA-N -1 3 424.682 2.801 20 0 HFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)C3CN(C(=O)OC(C)(C)C)C3)nc21 ZINC000807115242 1080291969 /nfs/dbraw/zinc/29/19/69/1080291969.db2.gz XBMHHLKBKQBOLB-LLVKDONJSA-N -1 3 402.451 2.791 20 0 HFADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)cc2)C[C@H](C)O1 ZINC000747407085 1080798814 /nfs/dbraw/zinc/79/88/14/1080798814.db2.gz DXMOTTBJILSUBO-GASCZTMLSA-N -1 3 415.515 2.620 20 0 HFADHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)OC4)cc2)C[C@H](C)O1 ZINC000747408093 1080805126 /nfs/dbraw/zinc/80/51/26/1080805126.db2.gz NYWHXHSDLIYCHX-KBPBESRZSA-N -1 3 402.472 2.771 20 0 HFADHM O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)NCc1cc(Br)ccc1F ZINC000426736482 1126084927 /nfs/dbraw/zinc/08/49/27/1126084927.db2.gz JGQSMFIKMUFHAU-QGZVFWFLSA-N -1 3 419.254 2.954 20 0 HFADHM COc1cccc(C[C@H](NCc2cn(-c3ccc(F)cc3Cl)nn2)C(=O)[O-])c1 ZINC000426789558 1126090692 /nfs/dbraw/zinc/09/06/92/1126090692.db2.gz VVTDLPJAQRTBOK-KRWDZBQOSA-N -1 3 404.829 2.854 20 0 HFADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000426756233 1126087878 /nfs/dbraw/zinc/08/78/78/1126087878.db2.gz ITYSBXYGHSYOQI-LLVKDONJSA-N -1 3 405.760 2.570 20 0 HFADHM O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]21 ZINC001164956864 722047878 /nfs/dbraw/zinc/04/78/78/722047878.db2.gz DKMRXCCIXOYGBP-VHSXEESVSA-N -1 3 400.838 2.908 20 0 HFADHM CS(=O)(=O)c1cc(CN/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc(C(F)(F)F)c1 ZINC000790575306 1078066760 /nfs/dbraw/zinc/06/67/60/1078066760.db2.gz RVEXTWLCSZQGLJ-YBEGLDIGSA-N -1 3 424.400 2.510 20 0 HFADHM Cn1cncc1CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000793255585 1078111756 /nfs/dbraw/zinc/11/17/56/1078111756.db2.gz MUGVSLBPSCBOMQ-UHFFFAOYSA-N -1 3 403.435 2.760 20 0 HFADHM CC1(C)COC(=O)[C@H]1OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000793303165 1078122823 /nfs/dbraw/zinc/12/28/23/1078122823.db2.gz YULLCCMURVJZMP-MRXNPFEDSA-N -1 3 407.419 2.735 20 0 HFADHM O=C(CCC(=O)c1ccc(I)cc1)[N-]OCc1cccnc1 ZINC000746945094 1078135613 /nfs/dbraw/zinc/13/56/13/1078135613.db2.gz BAFSWQRTBDHAKJ-UHFFFAOYSA-N -1 3 410.211 2.897 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(NC(C)=O)c2)c(C)cc1F ZINC000793360193 1078147747 /nfs/dbraw/zinc/14/77/47/1078147747.db2.gz ZXZNVADZSAKWPE-UHFFFAOYSA-N -1 3 410.423 2.689 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)c(C)cc1F ZINC000793386169 1078162656 /nfs/dbraw/zinc/16/26/56/1078162656.db2.gz UXQYDXNIVVVDLE-UHFFFAOYSA-N -1 3 424.841 2.956 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCO[C@H](C)C3)cc2)c(C)cc1F ZINC000793393682 1078165557 /nfs/dbraw/zinc/16/55/57/1078165557.db2.gz GLPZTKNQMHQHMK-CQSZACIVSA-N -1 3 422.478 2.947 20 0 HFADHM COCN1C(=O)CCc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])ccc21 ZINC000793904180 1078333687 /nfs/dbraw/zinc/33/36/87/1078333687.db2.gz BUNOWJFEYOLEAZ-IBGZPJMESA-N -1 3 423.469 2.519 20 0 HFADHM CCOC(=O)[C@@H](C)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000747173336 1078368596 /nfs/dbraw/zinc/36/85/96/1078368596.db2.gz RRPOQLPFQXNZSD-ZDUSSCGKSA-N -1 3 409.435 2.983 20 0 HFADHM COCC1(CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)CCCCC1 ZINC000794147799 1078384509 /nfs/dbraw/zinc/38/45/09/1078384509.db2.gz PWIKHGXIMYESEP-CQSZACIVSA-N -1 3 417.959 2.505 20 0 HFADHM C[C@@]1(NC(=O)c2nnc3ccccc3c2[O-])CCN(C(=O)OCc2ccccc2)C1 ZINC000794221746 1078386195 /nfs/dbraw/zinc/38/61/95/1078386195.db2.gz GFCXWHXATBIGJU-JOCHJYFZSA-N -1 3 406.442 2.866 20 0 HFADHM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)cc1 ZINC000804476841 1078518939 /nfs/dbraw/zinc/51/89/39/1078518939.db2.gz PGGVPYDTULZZLP-IERDGZPVSA-N -1 3 406.486 2.620 20 0 HFADHM Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)c(=O)[n-]1 ZINC000804668626 1078527097 /nfs/dbraw/zinc/52/70/97/1078527097.db2.gz VWSPACSWCJFQIJ-RHSMWYFYSA-N -1 3 404.511 2.591 20 0 HFADHM CC(C)c1ncc(Br)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC001129613419 1078591624 /nfs/dbraw/zinc/59/16/24/1078591624.db2.gz SCLCRKCLWJUZDP-UHFFFAOYSA-N -1 3 406.219 2.934 20 0 HFADHM COC[C@]1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCN1C(=O)OC(C)(C)C ZINC000804788666 1078643299 /nfs/dbraw/zinc/64/32/99/1078643299.db2.gz RDBBOOSTJVXARC-JOCHJYFZSA-N -1 3 415.490 2.674 20 0 HFADHM COc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc(Cl)n1 ZINC001129679443 1078643411 /nfs/dbraw/zinc/64/34/11/1078643411.db2.gz JCJQXOSENAGZIH-UHFFFAOYSA-N -1 3 401.847 2.822 20 0 HFADHM O=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)NOCc1ccccc1 ZINC000804876993 1078701113 /nfs/dbraw/zinc/70/11/13/1078701113.db2.gz CBUINKQMAJCTMZ-UHFFFAOYSA-N -1 3 418.302 2.703 20 0 HFADHM CCc1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)OC)c([O-])c1 ZINC000804888941 1078748062 /nfs/dbraw/zinc/74/80/62/1078748062.db2.gz YVUJXHVCCCLEKH-INIZCTEOSA-N -1 3 406.479 2.579 20 0 HFADHM CSc1nnc(CCC[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)n1CC(C)C ZINC000804941276 1078768012 /nfs/dbraw/zinc/76/80/12/1078768012.db2.gz PORIGUPVRZOJEH-UHFFFAOYSA-N -1 3 421.951 2.755 20 0 HFADHM CC(C)(C)OC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000804981430 1078817502 /nfs/dbraw/zinc/81/75/02/1078817502.db2.gz UZPDUCVWRCSSDN-NSHDSACASA-N -1 3 407.895 2.800 20 0 HFADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)s1 ZINC000805019274 1078830891 /nfs/dbraw/zinc/83/08/91/1078830891.db2.gz FVZIWUMJOGZSHV-WPPNPWJKSA-N -1 3 424.331 2.809 20 0 HFADHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)s1 ZINC000805029655 1078841980 /nfs/dbraw/zinc/84/19/80/1078841980.db2.gz ULVZYSXQVBRJMA-UHFFFAOYSA-N -1 3 410.489 2.661 20 0 HFADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)cs1 ZINC000804993174 1078845138 /nfs/dbraw/zinc/84/51/38/1078845138.db2.gz KSUGOQPPRMCDSZ-SECBINFHSA-N -1 3 410.489 2.741 20 0 HFADHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)n1 ZINC000805005476 1078850093 /nfs/dbraw/zinc/85/00/93/1078850093.db2.gz QHWQVTDJHDOBNU-UHFFFAOYSA-N -1 3 410.489 2.661 20 0 HFADHM O=S(=O)([N-]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(F)c1 ZINC000805010944 1078854132 /nfs/dbraw/zinc/85/41/32/1078854132.db2.gz FMJWTNLCVPCFJU-LBPRGKRZSA-N -1 3 414.764 2.785 20 0 HFADHM COCCCO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000805038260 1078856814 /nfs/dbraw/zinc/85/68/14/1078856814.db2.gz YBENAQKLRGTDOD-ZDUSSCGKSA-N -1 3 417.275 2.525 20 0 HFADHM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)c1c(C)noc1C ZINC000805047939 1078861676 /nfs/dbraw/zinc/86/16/76/1078861676.db2.gz GUGOSSFUKILMSR-NSHDSACASA-N -1 3 408.448 2.717 20 0 HFADHM O=C1[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCN1c1ccc(Cl)c(F)c1 ZINC000805052627 1078865686 /nfs/dbraw/zinc/86/56/86/1078865686.db2.gz ZNMIKDPMCLYEBL-CYBMUJFWSA-N -1 3 422.240 2.750 20 0 HFADHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000805072045 1078879478 /nfs/dbraw/zinc/87/94/78/1078879478.db2.gz GXFWWYJSZLFRQR-UHFFFAOYSA-N -1 3 413.361 2.989 20 0 HFADHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000805074386 1078906892 /nfs/dbraw/zinc/90/68/92/1078906892.db2.gz JIBJYSPBDFVHPG-VIFPVBQESA-N -1 3 409.398 2.938 20 0 HFADHM COC[C@@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1ccc(Cl)cc1 ZINC000805082679 1078913004 /nfs/dbraw/zinc/91/30/04/1078913004.db2.gz VHRJISQETUAHJR-GFCCVEGCSA-N -1 3 422.732 2.810 20 0 HFADHM Cc1cccc2nc(CNC(=O)N3CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]3C)[nH]c21 ZINC000805245254 1078982372 /nfs/dbraw/zinc/98/23/72/1078982372.db2.gz IYJUVJLYLQDRBS-HUBLWGQQSA-N -1 3 411.428 2.858 20 0 HFADHM Cc1nc(Cl)c(Cl)cc1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000805206180 1078986435 /nfs/dbraw/zinc/98/64/35/1078986435.db2.gz DNJYDTHJSHMPMC-UHFFFAOYSA-N -1 3 424.256 2.683 20 0 HFADHM COc1ccc(CN2CC[C@H]([N-]C(=O)C(F)(F)c3ccc(F)cc3)C2=O)c(OC)c1 ZINC000805440488 1079067029 /nfs/dbraw/zinc/06/70/29/1079067029.db2.gz FGEYOJXAEKJPSN-KRWDZBQOSA-N -1 3 422.403 2.852 20 0 HFADHM CCc1nc(C(=O)[N-]c2cc(I)sc2C(=O)OC)co1 ZINC001130194322 1079062997 /nfs/dbraw/zinc/06/29/97/1079062997.db2.gz MASLYBVCCKPMPD-UHFFFAOYSA-N -1 3 406.201 2.942 20 0 HFADHM O=C(COC(=O)c1cnn[n-]1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000805604455 1079151350 /nfs/dbraw/zinc/15/13/50/1079151350.db2.gz JSXXRIVZKDPKOL-HNNXBMFYSA-N -1 3 405.370 2.679 20 0 HFADHM O=C(COC(=O)c1c[n-]nn1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000805604455 1079151354 /nfs/dbraw/zinc/15/13/54/1079151354.db2.gz JSXXRIVZKDPKOL-HNNXBMFYSA-N -1 3 405.370 2.679 20 0 HFADHM C[C@@H](OC(=O)c1cnn[n-]1)C(=O)Nc1ccc(Br)cc1Br ZINC000805603535 1079151379 /nfs/dbraw/zinc/15/13/79/1079151379.db2.gz PTCTZUCZBIDHGK-ZCFIWIBFSA-N -1 3 418.045 2.514 20 0 HFADHM C[C@@H](OC(=O)c1c[n-]nn1)C(=O)Nc1ccc(Br)cc1Br ZINC000805603535 1079151383 /nfs/dbraw/zinc/15/13/83/1079151383.db2.gz PTCTZUCZBIDHGK-ZCFIWIBFSA-N -1 3 418.045 2.514 20 0 HFADHM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCc1cnn(C)c1 ZINC000805829501 1079298959 /nfs/dbraw/zinc/29/89/59/1079298959.db2.gz NKWMXCBVKAUXJK-WMZOPIPTSA-N -1 3 410.440 2.855 20 0 HFADHM COCc1ccccc1S(=O)(=O)[N-]C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805912283 1079329845 /nfs/dbraw/zinc/32/98/45/1079329845.db2.gz SQJHHMJTFJHYOB-UHFFFAOYSA-N -1 3 402.516 2.550 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c(Cl)cc1Cl ZINC000747276794 1079337862 /nfs/dbraw/zinc/33/78/62/1079337862.db2.gz GOGCKBPSLVFRHS-GFWSLJDESA-N -1 3 408.303 2.872 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C2CC2)[C@H]2CCCCO2)ccc1F ZINC001130536429 1079473471 /nfs/dbraw/zinc/47/34/71/1079473471.db2.gz FEJATSBHXUZPPZ-SJLPKXTDSA-N -1 3 412.527 2.980 20 0 HFADHM Cc1ccc([C@@H](CNC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)N2CCCC2)cc1 ZINC000746688515 1076854162 /nfs/dbraw/zinc/85/41/62/1076854162.db2.gz XPAXCUVQQBGKQM-HXUWFJFHSA-N -1 3 422.554 2.947 20 0 HFADHM Cc1ccc(C(=O)NCCC(=O)O[C@@H](C)c2nnnn2C2CCCCC2)c([O-])c1 ZINC000787684332 1076910332 /nfs/dbraw/zinc/91/03/32/1076910332.db2.gz GUTNHKPXWSFANH-AWEZNQCLSA-N -1 3 401.467 2.617 20 0 HFADHM COC(=O)c1ccccc1N(C)C(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787847474 1076962894 /nfs/dbraw/zinc/96/28/94/1076962894.db2.gz GGWDLTURUHSIST-UHFFFAOYSA-N -1 3 403.406 2.847 20 0 HFADHM O=C(CCCc1ccc([O-])c(F)c1)OCC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000787848381 1076963260 /nfs/dbraw/zinc/96/32/60/1076963260.db2.gz LZSHICPMQNRCKU-ZDUSSCGKSA-N -1 3 405.344 2.520 20 0 HFADHM C[C@H](CO[N-]C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)NC(=O)OC(C)(C)C ZINC000788003537 1077025489 /nfs/dbraw/zinc/02/54/89/1077025489.db2.gz IOOPMSANMBKWGE-HZSPNIEDSA-N -1 3 401.504 2.593 20 0 HFADHM O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)[N-]OC[C@@H]1CCOC1 ZINC000788116190 1077058051 /nfs/dbraw/zinc/05/80/51/1077058051.db2.gz NOYRMKMJLYBRSI-CYBMUJFWSA-N -1 3 423.263 2.921 20 0 HFADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NOC[C@H]3CCOC3)c2)cc1 ZINC000788119668 1077058623 /nfs/dbraw/zinc/05/86/23/1077058623.db2.gz UATJVMDYSWKAKI-HNNXBMFYSA-N -1 3 420.487 2.502 20 0 HFADHM O=C(c1cc2sccc2c([O-])c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000788262083 1077088555 /nfs/dbraw/zinc/08/85/55/1077088555.db2.gz IVHXGSDOVYDIDW-UHFFFAOYSA-N -1 3 416.524 2.895 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=S)NCCc3cccs3)c2)[n-]1 ZINC000788333118 1077104987 /nfs/dbraw/zinc/10/49/87/1077104987.db2.gz NUJSDTUURIUCMQ-UHFFFAOYSA-N -1 3 415.544 2.917 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=S)NCCc3cccs3)c2)n[n-]1 ZINC000788333118 1077104994 /nfs/dbraw/zinc/10/49/94/1077104994.db2.gz NUJSDTUURIUCMQ-UHFFFAOYSA-N -1 3 415.544 2.917 20 0 HFADHM COC(=O)c1cnc(SCCS(=O)(=O)c2cccc(Br)c2)[n-]1 ZINC000788506906 1077185974 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COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@](C)(Cc2ccccc2)[C@H](C)O)c1 ZINC000790930224 1077237313 /nfs/dbraw/zinc/23/73/13/1077237313.db2.gz CGEISDPJUYAPMB-VBKZILBWSA-N -1 3 409.479 2.520 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@]2(C)CCCC[C@H]2C(=O)OC)c(C)c1Cl ZINC000788659667 1077256732 /nfs/dbraw/zinc/25/67/32/1077256732.db2.gz HSMLECXBWLWLJH-MGPLVRAMSA-N -1 3 423.940 2.897 20 0 HFADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788659458 1077257157 /nfs/dbraw/zinc/25/71/57/1077257157.db2.gz SPHNABMYFCUIEA-IRXDYDNUSA-N -1 3 409.417 2.739 20 0 HFADHM CS(=O)(=O)c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(F)cc2)c(Cl)s1 ZINC000788710159 1077267399 /nfs/dbraw/zinc/26/73/99/1077267399.db2.gz BFKJCUQDWICGRE-WDEREUQCSA-N -1 3 409.913 2.779 20 0 HFADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NCCCCCO)c2)c1 ZINC000791063600 1077286995 /nfs/dbraw/zinc/28/69/95/1077286995.db2.gz WDKFXWVPLFIETK-UHFFFAOYSA-N -1 3 402.447 2.554 20 0 HFADHM C[C@](CNC(=O)[C@@H]1CC1(Cl)Cl)([N-]C(=O)[C@H]1CC1(Cl)Cl)C(F)(F)F ZINC000791075093 1077290937 /nfs/dbraw/zinc/29/09/37/1077290937.db2.gz DCORJTFTRQDYME-CCGCGBOQSA-N -1 3 416.054 2.927 20 0 HFADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000791161222 1077313138 /nfs/dbraw/zinc/31/31/38/1077313138.db2.gz MNOUHTMGLUIGCJ-SFHVURJKSA-N -1 3 413.449 2.601 20 0 HFADHM O=C1[C@@H]([N-]S(=O)(=O)C2=Cc3ccccc3OC2)CCN1c1ccccc1Cl ZINC000788891997 1077334353 /nfs/dbraw/zinc/33/43/53/1077334353.db2.gz UWGHIPABOMCHMF-INIZCTEOSA-N -1 3 404.875 2.798 20 0 HFADHM O=C1[C@@H]([N-]S(=O)(=O)C2=Cc3ccccc3OC2)CCN1c1ccc(F)c(Cl)c1 ZINC000788905602 1077347333 /nfs/dbraw/zinc/34/73/33/1077347333.db2.gz IJVSXSFSXYRQRN-KRWDZBQOSA-N -1 3 422.865 2.937 20 0 HFADHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc(Oc2ncc(Br)cn2)cc1 ZINC000788956503 1077362286 /nfs/dbraw/zinc/36/22/86/1077362286.db2.gz FZAUVPRNENKLSE-UHFFFAOYSA-N -1 3 411.237 2.831 20 0 HFADHM O=C(OCc1nc2cc(Br)ccc2[nH]1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000789045470 1077393600 /nfs/dbraw/zinc/39/36/00/1077393600.db2.gz HIGPTCVEOIVSOJ-UHFFFAOYSA-N -1 3 400.188 2.566 20 0 HFADHM CCCn1ncnc1COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000789698985 1077733891 /nfs/dbraw/zinc/73/38/91/1077733891.db2.gz KKAIGPRHIADHLZ-UHFFFAOYSA-N -1 3 418.450 2.985 20 0 HFADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000789735006 1077742879 /nfs/dbraw/zinc/74/28/79/1077742879.db2.gz MEMAHWVQXOAWQG-UHFFFAOYSA-N -1 3 412.265 2.910 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)ccc1F ZINC000792540710 1077904081 /nfs/dbraw/zinc/90/40/81/1077904081.db2.gz QQHFVUOMEAUNLB-UHFFFAOYSA-N -1 3 424.454 2.952 20 0 HFADHM O=c1[n-]nc(C2CCN([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC2)o1 ZINC001170245656 1077916282 /nfs/dbraw/zinc/91/62/82/1077916282.db2.gz XTSBABKGFRZLPX-OAHLLOKOSA-N -1 3 408.405 2.752 20 0 HFADHM COC(CCCC(C)(C)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])OC ZINC000790028961 1077919568 /nfs/dbraw/zinc/91/95/68/1077919568.db2.gz GJZDZSSBNAMYJY-QGZVFWFLSA-N -1 3 406.523 2.928 20 0 HFADHM O=C(COC(=O)c1cccc2nn[n-]c21)Nc1c(F)cc(F)cc1Br ZINC000790072825 1077922465 /nfs/dbraw/zinc/92/24/65/1077922465.db2.gz COOWZMMFAIFHKZ-UHFFFAOYSA-N -1 3 411.162 2.794 20 0 HFADHM O=C(COC(=O)c1cccc2[n-]nnc21)Nc1c(F)cc(F)cc1Br ZINC000790072825 1077922470 /nfs/dbraw/zinc/92/24/70/1077922470.db2.gz COOWZMMFAIFHKZ-UHFFFAOYSA-N -1 3 411.162 2.794 20 0 HFADHM O=C(COC(=O)c1cccc2n[n-]nc21)Nc1c(F)cc(F)cc1Br ZINC000790072825 1077922475 /nfs/dbraw/zinc/92/24/75/1077922475.db2.gz COOWZMMFAIFHKZ-UHFFFAOYSA-N -1 3 411.162 2.794 20 0 HFADHM Cc1cc(=O)[n-]c(C(C)(C)NCC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC001170274709 1077926199 /nfs/dbraw/zinc/92/61/99/1077926199.db2.gz YLPZDTGHGHOOFN-HOTGVXAUSA-N -1 3 413.522 2.568 20 0 HFADHM C[C@@H](CC(=O)NCc1ccc2ncccc2c1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000792631125 1077940187 /nfs/dbraw/zinc/94/01/87/1077940187.db2.gz HCHOCIRXLGVRNQ-ZDUSSCGKSA-N -1 3 418.906 2.657 20 0 HFADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NCCC[C@H](C)O)c(Cl)cc1Cl ZINC000790086419 1077944746 /nfs/dbraw/zinc/94/47/46/1077944746.db2.gz FXWLZUWTDLUNTD-NSHDSACASA-N -1 3 411.351 2.819 20 0 HFADHM CCN(CC)C(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000790125509 1077959385 /nfs/dbraw/zinc/95/93/85/1077959385.db2.gz FCYOINLEPKWBLD-GOSISDBHSA-N -1 3 421.563 2.871 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C(F)(F)c3nccs3)c2)[n-]1 ZINC000790160920 1077962259 /nfs/dbraw/zinc/96/22/59/1077962259.db2.gz WEZQWTYSOZZKTL-UHFFFAOYSA-N -1 3 407.402 2.513 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C(F)(F)c3nccs3)c2)n[n-]1 ZINC000790160920 1077962262 /nfs/dbraw/zinc/96/22/62/1077962262.db2.gz WEZQWTYSOZZKTL-UHFFFAOYSA-N -1 3 407.402 2.513 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccnc(Cl)c3F)c2)[n-]1 ZINC000790160642 1077962550 /nfs/dbraw/zinc/96/25/50/1077962550.db2.gz UXEVAEYPJUHYJN-UHFFFAOYSA-N -1 3 403.801 2.766 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccnc(Cl)c3F)c2)n[n-]1 ZINC000790160642 1077962552 /nfs/dbraw/zinc/96/25/52/1077962552.db2.gz UXEVAEYPJUHYJN-UHFFFAOYSA-N -1 3 403.801 2.766 20 0 HFADHM Cc1nc(Cl)ccc1NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000790238743 1077974039 /nfs/dbraw/zinc/97/40/39/1077974039.db2.gz LNCTYBHDUDJUNK-SECBINFHSA-N -1 3 403.291 2.787 20 0 HFADHM CCOc1cc(C=O)cc(Br)c1OS(=O)(=O)c1c(C)n[n-]c1C ZINC000790294383 1077988383 /nfs/dbraw/zinc/98/83/83/1077988383.db2.gz MRNCVTXHDNCFFE-UHFFFAOYSA-N -1 3 403.254 2.768 20 0 HFADHM CCOC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000790272417 1077992684 /nfs/dbraw/zinc/99/26/84/1077992684.db2.gz FPIBZGCSIRKBDT-VIFPVBQESA-N -1 3 411.705 2.612 20 0 HFADHM CCO[C@H](CNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)c1ccccc1 ZINC000772752983 1077996795 /nfs/dbraw/zinc/99/67/95/1077996795.db2.gz SMZCWRCOFJGBTL-MRXNPFEDSA-N -1 3 424.469 2.913 20 0 HFADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)n[nH]1 ZINC000792783161 1078000247 /nfs/dbraw/zinc/00/02/47/1078000247.db2.gz KQYSJLHSCSKJLY-UWVGGRQHSA-N -1 3 400.888 2.798 20 0 HFADHM CCOC(=O)CC1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)CCCC1 ZINC000790359624 1078003786 /nfs/dbraw/zinc/00/37/86/1078003786.db2.gz GPTDKUJGNAVVRE-UHFFFAOYSA-N -1 3 414.499 2.508 20 0 HFADHM Cc1nc(C)c(CC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)c(=O)[n-]1 ZINC001170506949 1079633998 /nfs/dbraw/zinc/63/39/98/1079633998.db2.gz AHDVOBZSZJABHH-OAHLLOKOSA-N -1 3 406.527 2.883 20 0 HFADHM CNC(=O)c1ccc(CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C2CC2)cc1 ZINC000806410919 1079698569 /nfs/dbraw/zinc/69/85/69/1079698569.db2.gz NBQAGKKENCSYJW-UHFFFAOYSA-N -1 3 411.408 2.971 20 0 HFADHM CC(C)(O)c1cccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000806944239 1080154012 /nfs/dbraw/zinc/15/40/12/1080154012.db2.gz UONAEZNBZFQKJI-UHFFFAOYSA-N -1 3 407.264 2.637 20 0 HFADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000807105123 1080284749 /nfs/dbraw/zinc/28/47/49/1080284749.db2.gz UELRKJHMXRCURK-HNAYVOBHSA-N -1 3 414.408 2.771 20 0 HFADHM C[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000747403015 1080767170 /nfs/dbraw/zinc/76/71/70/1080767170.db2.gz XGEPWTRCZHAQTK-OAHLLOKOSA-N -1 3 422.522 2.926 20 0 HFADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2)C[C@H](C)O1 ZINC000747406684 1080800258 /nfs/dbraw/zinc/80/02/58/1080800258.db2.gz HYHXYNIBOJTLEF-BETUJISGSA-N -1 3 403.460 2.948 20 0 HFADHM O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(=S)[n-]2)N1Cc1cccnc1 ZINC001164693012 719770850 /nfs/dbraw/zinc/77/08/50/719770850.db2.gz XCBWCSFOPMTDEN-NWDGAFQWSA-N -1 3 411.865 2.738 20 0 HFADHM CN1CCN(CCCNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)[C@H](c2ccccc2)C1 ZINC000780393515 939115158 /nfs/dbraw/zinc/11/51/58/939115158.db2.gz WUWVFPHZKTVVAD-LEWJYISDSA-N -1 3 416.566 2.698 20 0 HFADHM O=C([O-])[C@@]1(NC(=O)c2cnn(-c3ccccc3)c2)CCCN(Cc2ccccc2)C1 ZINC001123267248 939817067 /nfs/dbraw/zinc/81/70/67/939817067.db2.gz CZESKUXKHUXODY-HSZRJFAPSA-N -1 3 404.470 2.722 20 0 HFADHM O=C([O-])[C@@]1(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)CCCN(Cc2ccccc2)C1 ZINC001123371556 939821070 /nfs/dbraw/zinc/82/10/70/939821070.db2.gz AHCGQOZIJVRLIT-HSZRJFAPSA-N -1 3 421.453 2.896 20 0 HFADHM Cc1nc(CSCC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cs1 ZINC001263627797 939828156 /nfs/dbraw/zinc/82/81/56/939828156.db2.gz XJZZUSQYEGGEOL-HXUWFJFHSA-N -1 3 419.572 2.920 20 0 HFADHM COC(=O)[C@@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1ccc(Br)cc1 ZINC000790535107 1078053045 /nfs/dbraw/zinc/05/30/45/1078053045.db2.gz GALUJVYKJWUMPU-ZDUSSCGKSA-N -1 3 406.223 2.841 20 0 HFADHM O=C(COC(=O)COc1ccc(Oc2ccccn2)cc1)[N-]C(=O)c1cccs1 ZINC000746932128 1078070161 /nfs/dbraw/zinc/07/01/61/1078070161.db2.gz VDFCYBHJQBLETQ-UHFFFAOYSA-N -1 3 412.423 2.814 20 0 HFADHM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)c(F)cc1F ZINC000793357119 1078146148 /nfs/dbraw/zinc/14/61/48/1078146148.db2.gz IQLMCVKPYUKMMY-UHFFFAOYSA-N -1 3 417.361 2.786 20 0 HFADHM C[C@]1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793461723 1078179633 /nfs/dbraw/zinc/17/96/33/1078179633.db2.gz BXJBAELNLLHZSN-QFIPXVFZSA-N -1 3 420.473 2.532 20 0 HFADHM C[C@]1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793461723 1078179636 /nfs/dbraw/zinc/17/96/36/1078179636.db2.gz BXJBAELNLLHZSN-QFIPXVFZSA-N -1 3 420.473 2.532 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)[n-]1 ZINC000793963053 1078348344 /nfs/dbraw/zinc/34/83/44/1078348344.db2.gz DHISJNWGSWWWTD-UHFFFAOYSA-N -1 3 423.454 2.664 20 0 HFADHM CCOC(=O)c1nc(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c[n-]1 ZINC000793963053 1078348347 /nfs/dbraw/zinc/34/83/47/1078348347.db2.gz DHISJNWGSWWWTD-UHFFFAOYSA-N -1 3 423.454 2.664 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)[n-]1 ZINC000793964025 1078348601 /nfs/dbraw/zinc/34/86/01/1078348601.db2.gz PNLVMNNKLXVNND-AWEZNQCLSA-N -1 3 420.441 2.973 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)c[n-]1 ZINC000793964025 1078348606 /nfs/dbraw/zinc/34/86/06/1078348606.db2.gz PNLVMNNKLXVNND-AWEZNQCLSA-N -1 3 420.441 2.973 20 0 HFADHM O=C(N[C@@H](CO)CC1CCC1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000794124603 1078374832 /nfs/dbraw/zinc/37/48/32/1078374832.db2.gz RFAJCFUKXQINLM-GFCCVEGCSA-N -1 3 421.346 2.715 20 0 HFADHM CN(C)S(=O)(=O)C[C@H]([N-]c1nn2cc(-c3ccccc3)nc2s1)C(F)(F)F ZINC000804779746 1078604133 /nfs/dbraw/zinc/60/41/33/1078604133.db2.gz JFSALVSETFVQBZ-LBPRGKRZSA-N -1 3 419.454 2.692 20 0 HFADHM COc1ccc(Br)c(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001129727711 1078677543 /nfs/dbraw/zinc/67/75/43/1078677543.db2.gz HAVXNQFTMJDFFH-UHFFFAOYSA-N -1 3 406.215 2.958 20 0 HFADHM COc1ccc(Br)c(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001129727711 1078677551 /nfs/dbraw/zinc/67/75/51/1078677551.db2.gz HAVXNQFTMJDFFH-UHFFFAOYSA-N -1 3 406.215 2.958 20 0 HFADHM COc1ccc(C)cc1C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000804947286 1078776524 /nfs/dbraw/zinc/77/65/24/1078776524.db2.gz BHPZGNRVJZDRBM-UHFFFAOYSA-N -1 3 423.434 2.776 20 0 HFADHM CC(C)(C)OC(=O)NC1CCC([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000805013402 1078823535 /nfs/dbraw/zinc/82/35/35/1078823535.db2.gz VDXZHFZNFCOGLR-UHFFFAOYSA-N -1 3 407.895 2.988 20 0 HFADHM COC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000805009206 1078854325 /nfs/dbraw/zinc/85/43/25/1078854325.db2.gz ZUVJTBFUDIWMTJ-UHFFFAOYSA-N -1 3 403.382 2.800 20 0 HFADHM O=S(=O)([N-]CCCc1nc(-c2ccc(F)cc2)no1)c1cnc(Cl)c(F)c1 ZINC000805062178 1078874448 /nfs/dbraw/zinc/87/44/48/1078874448.db2.gz RUFPGKYMIPWYET-UHFFFAOYSA-N -1 3 414.821 2.974 20 0 HFADHM O=S(=O)([N-][C@@H](CCO)Cc1ccccc1)c1c(F)cccc1OC(F)(F)F ZINC000805089555 1078916915 /nfs/dbraw/zinc/91/69/15/1078916915.db2.gz GUWPLGAEHKSCOD-ZDUSSCGKSA-N -1 3 407.385 2.996 20 0 HFADHM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000805090222 1078917616 /nfs/dbraw/zinc/91/76/16/1078917616.db2.gz SFOAWSXVKOKEOI-VIFPVBQESA-N -1 3 407.382 2.694 20 0 HFADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](CCO)c1ccc(Cl)cc1 ZINC000805136158 1078934097 /nfs/dbraw/zinc/93/40/97/1078934097.db2.gz DYAPKJKZVZMWSY-LBPRGKRZSA-N -1 3 419.286 2.577 20 0 HFADHM CSC(C)(C)CNC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000805164294 1078955386 /nfs/dbraw/zinc/95/53/86/1078955386.db2.gz SDYJLJVJSXMUAY-UHFFFAOYSA-N -1 3 414.380 2.713 20 0 HFADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC(F)(F)Br ZINC000805246686 1078982680 /nfs/dbraw/zinc/98/26/80/1078982680.db2.gz JVIRQJCBJZFWSW-UHFFFAOYSA-N -1 3 401.211 2.589 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCc3c2cnn3C)c(Cl)cc1Cl ZINC000747240567 1079042029 /nfs/dbraw/zinc/04/20/29/1079042029.db2.gz UAZDAAMCSSNYRY-CYBMUJFWSA-N -1 3 418.302 2.869 20 0 HFADHM C[C@@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1nncn1C ZINC000805539854 1079130042 /nfs/dbraw/zinc/13/00/42/1079130042.db2.gz CSRMFUSLRLZQHW-GFCCVEGCSA-N -1 3 404.423 2.673 20 0 HFADHM CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)COC(=O)c1cnn[n-]1 ZINC000805606615 1079153518 /nfs/dbraw/zinc/15/35/18/1079153518.db2.gz ZVBXRPNCWAQYRW-UHFFFAOYSA-N -1 3 414.443 2.814 20 0 HFADHM CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)COC(=O)c1c[n-]nn1 ZINC000805606615 1079153522 /nfs/dbraw/zinc/15/35/22/1079153522.db2.gz ZVBXRPNCWAQYRW-UHFFFAOYSA-N -1 3 414.443 2.814 20 0 HFADHM C[C@H]1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805787431 1079253636 /nfs/dbraw/zinc/25/36/36/1079253636.db2.gz POWAUPJEYPGGCL-FDPKGLCPSA-N -1 3 403.489 2.945 20 0 HFADHM CCN(C)C(=O)CCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805829028 1079299016 /nfs/dbraw/zinc/29/90/16/1079299016.db2.gz FTUFRQAFJHGMBL-YJBOKZPZSA-N -1 3 415.456 2.748 20 0 HFADHM CC1(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)CCN(Cc2ccccc2)CC1 ZINC000805868343 1079311565 /nfs/dbraw/zinc/31/15/65/1079311565.db2.gz BUVIDPXUDJUIFW-UHFFFAOYSA-N -1 3 421.950 2.983 20 0 HFADHM CCOc1ccc(S(=O)(=O)[N-]C(=O)C2CCN(C3CC3)CC2)c2ccccc12 ZINC000805887844 1079339197 /nfs/dbraw/zinc/33/91/97/1079339197.db2.gz IHNLAYXOQNTEJC-UHFFFAOYSA-N -1 3 402.516 2.918 20 0 HFADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ncccn3)ccc2C)cc1 ZINC000772698773 1076752407 /nfs/dbraw/zinc/75/24/07/1076752407.db2.gz AALWHXDMHFYZGC-UHFFFAOYSA-N -1 3 412.471 2.524 20 0 HFADHM O=C(Nc1ccc(C2CCC2)cc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000787453974 1076817526 /nfs/dbraw/zinc/81/75/26/1076817526.db2.gz MUSPFQYIBGKKEH-UHFFFAOYSA-N -1 3 407.470 2.583 20 0 HFADHM CCN(CC)[C@H](CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)c1ccsc1 ZINC000746686293 1076821319 /nfs/dbraw/zinc/82/13/19/1076821319.db2.gz GSUIZDOTBPYVNV-QGZVFWFLSA-N -1 3 416.572 2.946 20 0 HFADHM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CCN2CCC1CC2 ZINC000787527033 1076847806 /nfs/dbraw/zinc/84/78/06/1076847806.db2.gz SAEATHGXIUBGQX-UHFFFAOYSA-N -1 3 400.548 2.552 20 0 HFADHM CN(C)[C@@H](CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)c1ccc(Cl)cc1 ZINC000746697330 1076864474 /nfs/dbraw/zinc/86/44/74/1076864474.db2.gz SEGUVLODKQZMQC-KRWDZBQOSA-N -1 3 416.934 2.758 20 0 HFADHM Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)CCCc3ccc([O-])c(F)c3)n12 ZINC000787847545 1076962871 /nfs/dbraw/zinc/96/28/71/1076962871.db2.gz HDVMXYVPCIOBRK-UHFFFAOYSA-N -1 3 424.432 2.800 20 0 HFADHM CCNC(=O)c1cccc(NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787850759 1076964361 /nfs/dbraw/zinc/96/43/61/1076964361.db2.gz QFJGRLQXRLLZMK-UHFFFAOYSA-N -1 3 402.422 2.786 20 0 HFADHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)N1CCCC1 ZINC000787918858 1076996642 /nfs/dbraw/zinc/99/66/42/1076996642.db2.gz ZLHGFVVDLINUOV-INIZCTEOSA-N -1 3 413.902 2.998 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)c2nc(Br)ccc2Br)[n-]1 ZINC000788174595 1077066550 /nfs/dbraw/zinc/06/65/50/1077066550.db2.gz DEGRFYSIYHNZPM-UHFFFAOYSA-N -1 3 418.045 2.759 20 0 HFADHM CCOC(=O)c1nc(NC(=O)c2nc(Br)ccc2Br)c[n-]1 ZINC000788174595 1077066555 /nfs/dbraw/zinc/06/65/55/1077066555.db2.gz DEGRFYSIYHNZPM-UHFFFAOYSA-N -1 3 418.045 2.759 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)[n-]1 ZINC000788174288 1077066884 /nfs/dbraw/zinc/06/68/84/1077066884.db2.gz BKUPVGCYGOSCJO-UHFFFAOYSA-N -1 3 400.435 2.574 20 0 HFADHM CCOC(=O)c1nc(NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c[n-]1 ZINC000788174288 1077066890 /nfs/dbraw/zinc/06/68/90/1077066890.db2.gz BKUPVGCYGOSCJO-UHFFFAOYSA-N -1 3 400.435 2.574 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@H](OCC)C2(C)C)[n-]1 ZINC000788177327 1077067390 /nfs/dbraw/zinc/06/73/90/1077067390.db2.gz WMNOAIPHLHRIEY-FKIZINRSSA-N -1 3 424.498 2.623 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@H](OCC)C2(C)C)c[n-]1 ZINC000788177327 1077067395 /nfs/dbraw/zinc/06/73/95/1077067395.db2.gz WMNOAIPHLHRIEY-FKIZINRSSA-N -1 3 424.498 2.623 20 0 HFADHM COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1OC ZINC000746737797 1077089723 /nfs/dbraw/zinc/08/97/23/1077089723.db2.gz HAXQKZVFLSPARC-LBPRGKRZSA-N -1 3 407.444 2.504 20 0 HFADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000788534208 1077205097 /nfs/dbraw/zinc/20/50/97/1077205097.db2.gz IOEWNQDUVMPXHB-UHFFFAOYSA-N -1 3 414.849 2.942 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CC(=O)Nc2cccc(F)c2)c(C)c1Cl ZINC000788609063 1077205958 /nfs/dbraw/zinc/20/59/58/1077205958.db2.gz ALYFXGVHDUSYRO-UHFFFAOYSA-N -1 3 420.871 2.553 20 0 HFADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(=O)[C@@H](C)C2)c(Cl)cc1Cl ZINC000788602746 1077220202 /nfs/dbraw/zinc/22/02/02/1077220202.db2.gz UXFZWGZDJRCBQI-NSHDSACASA-N -1 3 421.346 2.979 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C(=O)OC)c2cccs2)c(C)c1Cl ZINC000788618752 1077230565 /nfs/dbraw/zinc/23/05/65/1077230565.db2.gz JPWBDCLJRJVZJI-JTQLQIEISA-N -1 3 423.921 2.751 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2F)c(C)c1Cl ZINC000788627448 1077235341 /nfs/dbraw/zinc/23/53/41/1077235341.db2.gz QIAJAVYMESSALC-NSHDSACASA-N -1 3 407.872 2.648 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c(C)c1Cl ZINC000788634453 1077239986 /nfs/dbraw/zinc/23/99/86/1077239986.db2.gz JVYRBTGCTBJACI-OASPWFOLSA-N -1 3 407.941 2.978 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CC(=O)OC2CCCCC2)c(C)c1Cl ZINC000788641814 1077244178 /nfs/dbraw/zinc/24/41/78/1077244178.db2.gz SRIYMMUECMWKRZ-UHFFFAOYSA-N -1 3 409.913 2.651 20 0 HFADHM Cc1cc(C)c(N2CC[C@@H](OC(=O)c3ccc([N-]S(C)(=O)=O)cc3)C2=O)c(C)c1 ZINC000788690070 1077252127 /nfs/dbraw/zinc/25/21/27/1077252127.db2.gz HDTUSQHNBNTHEL-GOSISDBHSA-N -1 3 416.499 2.946 20 0 HFADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000788708509 1077267086 /nfs/dbraw/zinc/26/70/86/1077267086.db2.gz USSCMNVGTQQNTO-AWEZNQCLSA-N -1 3 423.922 2.717 20 0 HFADHM O=C(CCCOc1ccc(I)cc1)[N-]OC1CCOCC1 ZINC000772722814 1077269562 /nfs/dbraw/zinc/26/95/62/1077269562.db2.gz HTUDIRHSQNSGOK-UHFFFAOYSA-N -1 3 405.232 2.677 20 0 HFADHM CS(=O)(=O)c1cc(C[N-]C(=O)C(F)(F)C2CCOCC2)cc(C(F)(F)F)c1 ZINC000791078526 1077291878 /nfs/dbraw/zinc/29/18/78/1077291878.db2.gz YFSHCABXFLZGTQ-UHFFFAOYSA-N -1 3 415.380 2.787 20 0 HFADHM CCc1ccc([C@H]2CN(C(=O)c3ccc(F)c(S(=O)(=O)[N-]C)c3)CCO2)cc1 ZINC000791123609 1077293758 /nfs/dbraw/zinc/29/37/58/1077293758.db2.gz OOBFBUGLEQVKKT-GOSISDBHSA-N -1 3 406.479 2.510 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(C)(C)C)C2)ccc1F ZINC000791156764 1077311331 /nfs/dbraw/zinc/31/13/31/1077311331.db2.gz VDOOYLWJVDEROD-INIZCTEOSA-N -1 3 400.516 2.790 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NC[C@H]3CC3(Cl)Cl)c2)[n-]1 ZINC000788848824 1077319302 /nfs/dbraw/zinc/31/93/02/1077319302.db2.gz CAFYHIMIPVSJDQ-GFCCVEGCSA-N -1 3 412.277 2.641 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NC[C@H]3CC3(Cl)Cl)c2)n[n-]1 ZINC000788848824 1077319311 /nfs/dbraw/zinc/31/93/11/1077319311.db2.gz CAFYHIMIPVSJDQ-GFCCVEGCSA-N -1 3 412.277 2.641 20 0 HFADHM Cc1cc(C)c(N2CC[C@H]([N-]S(=O)(=O)Cc3ccc(Cl)nc3)C2=O)c(C)c1 ZINC000788951383 1077359718 /nfs/dbraw/zinc/35/97/18/1077359718.db2.gz ZKFYDZQCTGZNRG-INIZCTEOSA-N -1 3 407.923 2.885 20 0 HFADHM Cc1nc(C)c(CC(=O)O[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c(=O)[n-]1 ZINC000789023014 1077387656 /nfs/dbraw/zinc/38/76/56/1077387656.db2.gz DZLNCPLIRWRJLD-HNNXBMFYSA-N -1 3 410.257 2.997 20 0 HFADHM C[C@@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)c1ccccc1Br ZINC000789072255 1077396874 /nfs/dbraw/zinc/39/68/74/1077396874.db2.gz HAUDTAFZEVSKFK-YGRLFVJLSA-N -1 3 420.325 2.527 20 0 HFADHM O=C(O[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000789048363 1077400905 /nfs/dbraw/zinc/40/09/05/1077400905.db2.gz WELTVTSXWJCOHI-OAHLLOKOSA-N -1 3 419.220 2.839 20 0 HFADHM CC[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000772729623 1077404136 /nfs/dbraw/zinc/40/41/36/1077404136.db2.gz OPGLAZVETATHLK-SFHVURJKSA-N -1 3 420.506 2.680 20 0 HFADHM CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)NCc3ncccc3[O-])cc2C1 ZINC000791860773 1077572842 /nfs/dbraw/zinc/57/28/42/1077572842.db2.gz CLHZUICUXDHLLO-AWEZNQCLSA-N -1 3 413.478 2.886 20 0 HFADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OCC[C@@H]1CNC(=O)C1 ZINC000792006888 1077646538 /nfs/dbraw/zinc/64/65/38/1077646538.db2.gz FDBPXAXUGSAWOU-AWEZNQCLSA-N -1 3 420.462 2.618 20 0 HFADHM COC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000789692519 1077730674 /nfs/dbraw/zinc/73/06/74/1077730674.db2.gz LRODEERNJZDXCH-GOSISDBHSA-N -1 3 420.506 2.596 20 0 HFADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)OCc2nc3ccccc3[nH]2)CCCC1 ZINC000792200933 1077743148 /nfs/dbraw/zinc/74/31/48/1077743148.db2.gz JAPJSCNJBUDEHA-UHFFFAOYSA-N -1 3 418.475 2.502 20 0 HFADHM CC(C)C[C@@]1(CO)CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000789872970 1077831477 /nfs/dbraw/zinc/83/14/77/1077831477.db2.gz IDVZFIHWNIZASH-HXUWFJFHSA-N -1 3 414.543 2.916 20 0 HFADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NC[C@H]3CC[C@H](O)C3)c2)c1 ZINC000789857087 1077840508 /nfs/dbraw/zinc/84/05/08/1077840508.db2.gz GDIJQQSDHPYSTN-BBRMVZONSA-N -1 3 414.458 2.553 20 0 HFADHM O=C(NCc1ncccc1[O-])C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000792414330 1077864044 /nfs/dbraw/zinc/86/40/44/1077864044.db2.gz ZWLBHUBRAYZHRC-UHFFFAOYSA-N -1 3 408.483 2.666 20 0 HFADHM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C1 ZINC000792484195 1077877457 /nfs/dbraw/zinc/87/74/57/1077877457.db2.gz YIVUQUZWZGPKPQ-HNNXBMFYSA-N -1 3 413.434 2.792 20 0 HFADHM CCCN1CCC(N(C)S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)CC1 ZINC000792584460 1077918663 /nfs/dbraw/zinc/91/86/63/1077918663.db2.gz HRKQIURJHZCESG-UHFFFAOYSA-N -1 3 404.916 2.542 20 0 HFADHM C[C@H](NC(=O)COC(=O)c1cccc2nn[n-]c21)c1ccc(Br)cc1 ZINC000790073131 1077922735 /nfs/dbraw/zinc/92/27/35/1077922735.db2.gz FNBYRULNRILBHO-JTQLQIEISA-N -1 3 403.236 2.755 20 0 HFADHM C[C@H](NC(=O)COC(=O)c1cccc2[n-]nnc21)c1ccc(Br)cc1 ZINC000790073131 1077922736 /nfs/dbraw/zinc/92/27/36/1077922736.db2.gz FNBYRULNRILBHO-JTQLQIEISA-N -1 3 403.236 2.755 20 0 HFADHM C[C@H](NC(=O)COC(=O)c1cccc2n[n-]nc21)c1ccc(Br)cc1 ZINC000790073131 1077922739 /nfs/dbraw/zinc/92/27/39/1077922739.db2.gz FNBYRULNRILBHO-JTQLQIEISA-N -1 3 403.236 2.755 20 0 HFADHM COc1cc(Cl)c(S(=O)(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1C(=O)[O-] ZINC000792591353 1077924952 /nfs/dbraw/zinc/92/49/52/1077924952.db2.gz LIERIUJLLSWUON-FRRDWIJNSA-N -1 3 418.943 2.692 20 0 HFADHM CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000792592128 1077927188 /nfs/dbraw/zinc/92/71/88/1077927188.db2.gz VMYLVPOHQMPTGA-CYBMUJFWSA-N -1 3 418.943 2.980 20 0 HFADHM CCCS(=O)(=O)Nc1ccccc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000790046921 1077928132 /nfs/dbraw/zinc/92/81/32/1077928132.db2.gz QSQJWTZWDQTIJA-UHFFFAOYSA-N -1 3 414.281 2.954 20 0 HFADHM C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCc3ncccc3[O-])ccc2Cl)C1 ZINC000792609562 1077935853 /nfs/dbraw/zinc/93/58/53/1077935853.db2.gz CHLYMMDSWQMASU-ZDUSSCGKSA-N -1 3 423.922 2.791 20 0 HFADHM CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000792619408 1077944094 /nfs/dbraw/zinc/94/40/94/1077944094.db2.gz XYGYUSCJKBALFG-OAHLLOKOSA-N -1 3 407.511 2.582 20 0 HFADHM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCc2c(O)cccc2C1 ZINC001170358208 1077949938 /nfs/dbraw/zinc/94/99/38/1077949938.db2.gz YKJJBEJJBXWRJI-UHFFFAOYSA-N -1 3 415.298 2.562 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C[C@@H]3CSCCS3)c2)[n-]1 ZINC000790158514 1077961722 /nfs/dbraw/zinc/96/17/22/1077961722.db2.gz OCOQWZWFKVGFIM-CQSZACIVSA-N -1 3 406.533 2.503 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C[C@@H]3CSCCS3)c2)n[n-]1 ZINC000790158514 1077961723 /nfs/dbraw/zinc/96/17/23/1077961723.db2.gz OCOQWZWFKVGFIM-CQSZACIVSA-N -1 3 406.533 2.503 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3nc(Cl)ccc3F)c2)[n-]1 ZINC000790160942 1077962175 /nfs/dbraw/zinc/96/21/75/1077962175.db2.gz WQXHNSSVALDLOA-UHFFFAOYSA-N -1 3 403.801 2.766 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3nc(Cl)ccc3F)c2)n[n-]1 ZINC000790160942 1077962179 /nfs/dbraw/zinc/96/21/79/1077962179.db2.gz WQXHNSSVALDLOA-UHFFFAOYSA-N -1 3 403.801 2.766 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H](C)N3CCc4ccccc43)c2)[n-]1 ZINC000790160516 1077962449 /nfs/dbraw/zinc/96/24/49/1077962449.db2.gz QUZLWFFHKLIWFJ-HNNXBMFYSA-N -1 3 419.485 2.716 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H](C)N3CCc4ccccc43)c2)n[n-]1 ZINC000790160516 1077962452 /nfs/dbraw/zinc/96/24/52/1077962452.db2.gz QUZLWFFHKLIWFJ-HNNXBMFYSA-N -1 3 419.485 2.716 20 0 HFADHM O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000792761588 1077988030 /nfs/dbraw/zinc/98/80/30/1077988030.db2.gz ZSMKWPBARQIHIW-UYAOXDASSA-N -1 3 402.516 2.582 20 0 HFADHM COc1ccc(NCc2ccc(Cl)cc2-n2cncn2)cc1[N-]S(C)(=O)=O ZINC000792856389 1078009483 /nfs/dbraw/zinc/00/94/83/1078009483.db2.gz HCSODVYTJJDWSC-UHFFFAOYSA-N -1 3 407.883 2.913 20 0 HFADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000790392549 1078013764 /nfs/dbraw/zinc/01/37/64/1078013764.db2.gz IVMPPJNHVHPPAT-FGZHOGPDSA-N -1 3 420.513 2.947 20 0 HFADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@H]1N(C)CCCC1(C)C ZINC000790450821 1078035446 /nfs/dbraw/zinc/03/54/46/1078035446.db2.gz QBPLHBFJYVYMSX-CQSZACIVSA-N -1 3 423.348 2.996 20 0 HFADHM CC(C)N1CC[C@H](NC(=O)N=c2ccnc3n(C)[n-]cc2-3)[C@H]1c1ccc(F)c(F)c1 ZINC000806493625 1079745710 /nfs/dbraw/zinc/74/57/10/1079745710.db2.gz ZZGQIPJWPSKWOG-RBUKOAKNSA-N -1 3 414.460 2.966 20 0 HFADHM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000747353143 1080024878 /nfs/dbraw/zinc/02/48/78/1080024878.db2.gz CLGUWWRSHMNBDT-UHFFFAOYSA-N -1 3 409.515 2.719 20 0 HFADHM O=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1 ZINC000807455223 1080634729 /nfs/dbraw/zinc/63/47/29/1080634729.db2.gz HZMBXBRKNDYBEF-UHFFFAOYSA-N -1 3 416.277 2.712 20 0 HFADHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)cc2)C[C@H](C)O1 ZINC000747407088 1080798778 /nfs/dbraw/zinc/79/87/78/1080798778.db2.gz DXMOTTBJILSUBO-GJZGRUSLSA-N -1 3 415.515 2.620 20 0 HFADHM O=C1CCCN1[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C[C@@H]2CCCO[C@H]12 ZINC001164649824 719304604 /nfs/dbraw/zinc/30/46/04/719304604.db2.gz HMWZRDQRLRUNEA-RWSFTLGLSA-N -1 3 418.897 2.570 20 0 HFADHM CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(=S)[n-]4)C[C@@H]32)N=C1C ZINC001164872761 721231012 /nfs/dbraw/zinc/23/10/12/721231012.db2.gz OAUXLWBNHLXLAO-OHUAYANFSA-N -1 3 415.897 2.829 20 0 HFADHM Cc1cc2c(cc1C)O[C@H](C(=O)N[C@]1(C(=O)[O-])CCCN(Cc3ccccc3)C1)C2 ZINC001123267799 939816948 /nfs/dbraw/zinc/81/69/48/939816948.db2.gz LVZVEGCHCLTHDN-XUZZJYLKSA-N -1 3 408.498 2.843 20 0 HFADHM COCCOc1cccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001123372780 939822259 /nfs/dbraw/zinc/82/22/59/939822259.db2.gz USZUJHPNDSVKID-HSZRJFAPSA-N -1 3 412.486 2.561 20 0 HFADHM O=C(C[C@H](O)c1ccc(Cl)cc1)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000772826312 1078058908 /nfs/dbraw/zinc/05/89/08/1078058908.db2.gz WTQZQZRPKBGTJD-LBPRGKRZSA-N -1 3 423.343 2.573 20 0 HFADHM O=C([N-]OCc1cccnc1)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000746946136 1078162888 /nfs/dbraw/zinc/16/28/88/1078162888.db2.gz QUSYNMSMMAKQPH-KRWDZBQOSA-N -1 3 400.504 2.581 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)c(C)cc1F ZINC000793395658 1078166354 /nfs/dbraw/zinc/16/63/54/1078166354.db2.gz UQKYREZBFMMKJL-UHFFFAOYSA-N -1 3 411.451 2.871 20 0 HFADHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000790888303 1078171792 /nfs/dbraw/zinc/17/17/92/1078171792.db2.gz FNMFUQVLTSMVOX-UHFFFAOYSA-N -1 3 424.327 2.884 20 0 HFADHM CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCCC1 ZINC000793468573 1078182574 /nfs/dbraw/zinc/18/25/74/1078182574.db2.gz MPTWWPGAICECPE-ZDUSSCGKSA-N -1 3 421.460 2.741 20 0 HFADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(F)(F)Cc1ccccc1 ZINC000793722942 1078266338 /nfs/dbraw/zinc/26/63/38/1078266338.db2.gz MIPWDMRODMDINC-UHFFFAOYSA-N -1 3 408.879 2.674 20 0 HFADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CCC(=O)[C@@H](C)C3)c2)c1 ZINC000793867887 1078328413 /nfs/dbraw/zinc/32/84/13/1078328413.db2.gz ATFQJHTXXBNFLZ-ZDUSSCGKSA-N -1 3 412.442 2.713 20 0 HFADHM CCOC(=O)c1nc(C2CCN(C(=O)c3cc(C4CC4)cnc3Cl)CC2)n[n-]1 ZINC000793973848 1078350337 /nfs/dbraw/zinc/35/03/37/1078350337.db2.gz XYEOFFWGKVIKTM-UHFFFAOYSA-N -1 3 403.870 2.927 20 0 HFADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cc(C4CC4)cnc3Cl)CC2)[n-]1 ZINC000793973848 1078350340 /nfs/dbraw/zinc/35/03/40/1078350340.db2.gz XYEOFFWGKVIKTM-UHFFFAOYSA-N -1 3 403.870 2.927 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2-c2cnn(C)c2)ccc1F ZINC000794130473 1078376083 /nfs/dbraw/zinc/37/60/83/1078376083.db2.gz BZVLMXRCIABHOK-UHFFFAOYSA-N -1 3 406.414 2.526 20 0 HFADHM COCC1(CNC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)CCCCC1 ZINC000794148229 1078384802 /nfs/dbraw/zinc/38/48/02/1078384802.db2.gz RDHDRWLAEAYSMT-UHFFFAOYSA-N -1 3 416.490 2.732 20 0 HFADHM Cc1cc(C(=O)NCCN2CCC(C)CC2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000747206207 1078508427 /nfs/dbraw/zinc/50/84/27/1078508427.db2.gz AMHLJTQZKFMBSM-UHFFFAOYSA-N -1 3 407.458 2.718 20 0 HFADHM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1 ZINC000804467528 1078531704 /nfs/dbraw/zinc/53/17/04/1078531704.db2.gz DXGVTUCHPDVTIN-CWTRNNRKSA-N -1 3 424.469 2.566 20 0 HFADHM COC(=O)c1cnc([C@H](C)[N-]C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)s1 ZINC001129925583 1078617377 /nfs/dbraw/zinc/61/73/77/1078617377.db2.gz IAMOGVKCGVWVJG-JTQLQIEISA-N -1 3 407.402 2.615 20 0 HFADHM COC(=O)c1cnc([C@@H](C)[N-]C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)s1 ZINC001129925585 1078617420 /nfs/dbraw/zinc/61/74/20/1078617420.db2.gz IAMOGVKCGVWVJG-SNVBAGLBSA-N -1 3 407.402 2.615 20 0 HFADHM CN1C(=O)C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)[C@H]1c1cccc(Cl)c1 ZINC001129729548 1078679195 /nfs/dbraw/zinc/67/91/95/1078679195.db2.gz YYJYQQYTADMFEU-SUMWQHHRSA-N -1 3 414.828 2.817 20 0 HFADHM CN1C(=O)C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)[C@H]1c1cccc(Cl)c1 ZINC001129729548 1078679196 /nfs/dbraw/zinc/67/91/96/1078679196.db2.gz YYJYQQYTADMFEU-SUMWQHHRSA-N -1 3 414.828 2.817 20 0 HFADHM CC(C)Oc1cccc([C@@H](O)C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000805013162 1078823599 /nfs/dbraw/zinc/82/35/99/1078823599.db2.gz PXZVPJJBAMJSIA-AWEZNQCLSA-N -1 3 404.410 2.900 20 0 HFADHM CC[C@](C)([N-]S(=O)(=O)c1nc(C)n(C)c1Br)c1nc(C)cs1 ZINC000805016481 1078827756 /nfs/dbraw/zinc/82/77/56/1078827756.db2.gz QKDXTMXPSGRAND-ZDUSSCGKSA-N -1 3 407.359 2.860 20 0 HFADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)s1 ZINC000805030102 1078843469 /nfs/dbraw/zinc/84/34/69/1078843469.db2.gz XQUJGGNVNKOMFU-VIFPVBQESA-N -1 3 414.452 2.785 20 0 HFADHM CC(C)(C)OC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000805005342 1078850115 /nfs/dbraw/zinc/85/01/15/1078850115.db2.gz MYKVIDAOYVJRSA-LLVKDONJSA-N -1 3 409.430 2.778 20 0 HFADHM C[C@H](CC(=O)OCc1ccccc1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000805046866 1078860927 /nfs/dbraw/zinc/86/09/27/1078860927.db2.gz IICYINYOHTULBG-GFCCVEGCSA-N -1 3 402.394 2.901 20 0 HFADHM COC(=O)CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805052249 1078866083 /nfs/dbraw/zinc/86/60/83/1078866083.db2.gz VQIBJOJYMHFRTA-ZDUSSCGKSA-N -1 3 400.859 2.717 20 0 HFADHM O=C1[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCN1c1ccc(F)c(Cl)c1 ZINC000805055916 1078868319 /nfs/dbraw/zinc/86/83/19/1078868319.db2.gz HDYOMTPMFLTKQR-CYBMUJFWSA-N -1 3 422.240 2.750 20 0 HFADHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000805074636 1078906596 /nfs/dbraw/zinc/90/65/96/1078906596.db2.gz NERPHNZRGYZREE-MNOVXSKESA-N -1 3 407.895 2.988 20 0 HFADHM CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000805074638 1078906641 /nfs/dbraw/zinc/90/66/41/1078906641.db2.gz NERPHNZRGYZREE-QWRGUYRKSA-N -1 3 407.895 2.988 20 0 HFADHM O=S(=O)([N-][C@H](CO)c1ccccc1OC(F)(F)F)c1cnc(Cl)c(F)c1 ZINC000805084782 1078914406 /nfs/dbraw/zinc/91/44/06/1078914406.db2.gz WLUYYKBWQZTMQE-LLVKDONJSA-N -1 3 414.764 2.785 20 0 HFADHM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)NC(=O)OC(C)(C)C ZINC000805084610 1078914467 /nfs/dbraw/zinc/91/44/67/1078914467.db2.gz ZZLHUWZCASXKEQ-VIFPVBQESA-N -1 3 416.393 2.916 20 0 HFADHM Cc1ccc([C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000805086520 1078915723 /nfs/dbraw/zinc/91/57/23/1078915723.db2.gz BYHBANZERWQIBL-XHDPSFHLSA-N -1 3 420.915 2.635 20 0 HFADHM COc1ccc(C2=NO[C@H](C[N-]S(=O)(=O)c3cnc(Cl)c(F)c3)C2)cc1C ZINC000805092792 1078919139 /nfs/dbraw/zinc/91/91/39/1078919139.db2.gz YWJMSYKXKSSVMC-LBPRGKRZSA-N -1 3 413.858 2.663 20 0 HFADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C)c1nccn1-c1ccccc1 ZINC000805128238 1078928441 /nfs/dbraw/zinc/92/84/41/1078928441.db2.gz LRQDUBOXVJPQGZ-GFCCVEGCSA-N -1 3 420.878 2.747 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cn3ccccc3n2)c(Cl)cc1Cl ZINC000747236640 1078993409 /nfs/dbraw/zinc/99/34/09/1078993409.db2.gz SULUTORUGSSKHW-UHFFFAOYSA-N -1 3 414.270 2.906 20 0 HFADHM CS(=O)(=O)[N-]c1cc(C(=O)OCC(=O)c2ccc(C(F)(F)F)cn2)ccc1F ZINC000805435992 1079063463 /nfs/dbraw/zinc/06/34/63/1079063463.db2.gz TUGHLYGSGVXCRQ-UHFFFAOYSA-N -1 3 420.340 2.651 20 0 HFADHM CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COC(=O)c1cnn[n-]1 ZINC000805604743 1079153495 /nfs/dbraw/zinc/15/34/95/1079153495.db2.gz FBLHFBZOXWGSQE-UHFFFAOYSA-N -1 3 414.443 2.814 20 0 HFADHM CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COC(=O)c1c[n-]nn1 ZINC000805604743 1079153500 /nfs/dbraw/zinc/15/35/00/1079153500.db2.gz FBLHFBZOXWGSQE-UHFFFAOYSA-N -1 3 414.443 2.814 20 0 HFADHM COc1ccc(OC)c([C@@H](O)CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805788408 1079254916 /nfs/dbraw/zinc/25/49/16/1079254916.db2.gz NFPGYKFRNVYJNW-HJXMPXNTSA-N -1 3 404.429 2.515 20 0 HFADHM Cc1c([O-])ccc2c(CN3C[C@@H](C[C@@H]4COCC(=O)N4)c4ccccc43)cc(=O)oc12 ZINC000805787176 1079254534 /nfs/dbraw/zinc/25/45/34/1079254534.db2.gz JAUFIXJQCXUNGA-NVXWUHKLSA-N -1 3 420.465 2.816 20 0 HFADHM Cc1c([O-])ccc2c(CN3C[C@H](C[C@@H]4COCC(=O)N4)c4ccccc43)cc(=O)oc12 ZINC000805787175 1079254570 /nfs/dbraw/zinc/25/45/70/1079254570.db2.gz JAUFIXJQCXUNGA-DOTOQJQBSA-N -1 3 420.465 2.816 20 0 HFADHM C[C@H]1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805787430 1079253527 /nfs/dbraw/zinc/25/35/27/1079253527.db2.gz POWAUPJEYPGGCL-DNCCFGNJSA-N -1 3 403.489 2.945 20 0 HFADHM CCOc1ccc(OC[C@H](O)CN2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000805788265 1079254983 /nfs/dbraw/zinc/25/49/83/1079254983.db2.gz DEJVCOKLYJCSAZ-AFIMGQEJSA-N -1 3 418.456 2.602 20 0 HFADHM O=C([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1cccc(CN2CCCC2)c1 ZINC000805891691 1079323317 /nfs/dbraw/zinc/32/33/17/1079323317.db2.gz FOCHAXCLDJBAJI-UHFFFAOYSA-N -1 3 424.526 2.646 20 0 HFADHM Cc1cc(S(=O)(=O)[N-]C(=O)C2CCN(C3CC3)CC2)cc(Br)c1C ZINC000805885212 1079338204 /nfs/dbraw/zinc/33/82/04/1079338204.db2.gz DSLKHZIXLYHRHF-UHFFFAOYSA-N -1 3 415.353 2.745 20 0 HFADHM COc1ccccc1S(=O)(=O)[N-]C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805887605 1079339278 /nfs/dbraw/zinc/33/92/78/1079339278.db2.gz GHSSMMCIJKOSGA-UHFFFAOYSA-N -1 3 402.516 2.802 20 0 HFADHM COC[C@@H]([N-]S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)c1ccco1 ZINC000747283573 1079356792 /nfs/dbraw/zinc/35/67/92/1079356792.db2.gz JNSQQEVFFAKXEZ-QZTJIDSGSA-N -1 3 422.503 2.688 20 0 HFADHM COC[C@H]([N-]S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1ccco1 ZINC000747284511 1079352191 /nfs/dbraw/zinc/35/21/91/1079352191.db2.gz TUUITYHVJYSGGI-SFHVURJKSA-N -1 3 422.503 2.688 20 0 HFADHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccon2)c(Br)c1 ZINC000747291823 1079390986 /nfs/dbraw/zinc/39/09/86/1079390986.db2.gz QTEPIBPRFHLYRA-UHFFFAOYSA-N -1 3 410.087 2.987 20 0 HFADHM CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)Nc3n[n-]c(-c4ccco4)n3)n[nH]2)C1 ZINC000787308382 1076755825 /nfs/dbraw/zinc/75/58/25/1076755825.db2.gz BXYZQLMHMYUCDE-NSHDSACASA-N -1 3 413.438 2.765 20 0 HFADHM COCCc1ccccc1NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000787366115 1076774612 /nfs/dbraw/zinc/77/46/12/1076774612.db2.gz JYNNUGJGDAIVNL-ZDUSSCGKSA-N -1 3 411.911 2.620 20 0 HFADHM Cc1cc(CCNC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc(C)c1O ZINC000787516816 1076832973 /nfs/dbraw/zinc/83/29/73/1076832973.db2.gz ZVTREALLKHHMHE-UHFFFAOYSA-N -1 3 424.469 2.700 20 0 HFADHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000746691628 1076853159 /nfs/dbraw/zinc/85/31/59/1076853159.db2.gz FWVMKYPAODSEHB-KRWDZBQOSA-N -1 3 422.554 2.808 20 0 HFADHM CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000787845167 1076962102 /nfs/dbraw/zinc/96/21/02/1076962102.db2.gz NPBAIKZRMSTYLQ-UHFFFAOYSA-N -1 3 422.497 2.503 20 0 HFADHM CN(C)C(=O)c1ccc(NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000787847046 1076962941 /nfs/dbraw/zinc/96/29/41/1076962941.db2.gz ZDEAILKRKJIGLD-UHFFFAOYSA-N -1 3 402.422 2.738 20 0 HFADHM CCOC(=O)c1nnc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)[n-]1 ZINC000787905456 1076989202 /nfs/dbraw/zinc/98/92/02/1076989202.db2.gz GTQCSJSZKQVNJN-UHFFFAOYSA-N -1 3 402.414 2.522 20 0 HFADHM Cn1nccc1[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000788387854 1077139275 /nfs/dbraw/zinc/13/92/75/1077139275.db2.gz OHCLOIQQCDTTJM-SFHVURJKSA-N -1 3 403.435 2.877 20 0 HFADHM COc1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)NC(C)(C)C3=O)c2)c(C)c1C ZINC000788499038 1077182587 /nfs/dbraw/zinc/18/25/87/1077182587.db2.gz PKMNIZPSAIEJBM-UHFFFAOYSA-N -1 3 417.487 2.948 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)c(C)c1Cl ZINC000788610095 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407.492 2.797 20 0 HFADHM CC(C)[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H](O)c1ccccc1 ZINC000790372472 1078017474 /nfs/dbraw/zinc/01/74/74/1078017474.db2.gz QFBNKMUTUICGHJ-WOJBJXKFSA-N -1 3 420.506 2.754 20 0 HFADHM CN(CCC(=O)Nc1ccccc1[N-]S(C)(=O)=O)C(=O)OCc1ccccc1 ZINC000792941891 1078022803 /nfs/dbraw/zinc/02/28/03/1078022803.db2.gz UVFLGRJHEOUYMN-UHFFFAOYSA-N -1 3 405.476 2.655 20 0 HFADHM Cn1cc(S(=O)(=O)[N-][C@@H](c2cncc(Br)c2)C2CC2)nc1Cl ZINC000790434546 1078029830 /nfs/dbraw/zinc/02/98/30/1078029830.db2.gz OIWGSKSVOVPBOB-GFCCVEGCSA-N -1 3 405.705 2.661 20 0 HFADHM CN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000806982510 1080193233 /nfs/dbraw/zinc/19/32/33/1080193233.db2.gz UNICBRZESJIBQA-LBPRGKRZSA-N -1 3 407.417 2.888 20 0 HFADHM O=C([N-]CC[S@@](=O)CC(F)(F)F)C(F)(F)c1cccc(Br)c1 ZINC001130876774 1080365284 /nfs/dbraw/zinc/36/52/84/1080365284.db2.gz QLUSPTOAVLHLFK-JOCHJYFZSA-N -1 3 408.186 2.968 20 0 HFADHM 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O=C([O-])[C@@]1(NC(=O)c2cccc(NC(=O)C3CC3)c2)CCCN(Cc2ccccc2)C1 ZINC001123268849 939817500 /nfs/dbraw/zinc/81/75/00/939817500.db2.gz VGGGURGOORPOPU-XMMPIXPASA-N -1 3 421.497 2.884 20 0 HFADHM O=C([O-])[C@]1(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)CCCN(Cc2ccccc2)C1 ZINC001123371557 939821236 /nfs/dbraw/zinc/82/12/36/939821236.db2.gz AHCGQOZIJVRLIT-QHCPKHFHSA-N -1 3 421.453 2.896 20 0 HFADHM O=C([O-])[C@@]1(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CCCN(Cc2ccccc2)C1 ZINC001263627835 939827625 /nfs/dbraw/zinc/82/76/25/939827625.db2.gz YFZLSBBEAJTFMI-SIKLNZKXSA-N -1 3 414.889 2.879 20 0 HFADHM CCC(CC)[C@@H](CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)OC ZINC000746920350 1078059848 /nfs/dbraw/zinc/05/98/48/1078059848.db2.gz PGZFYANIIQSJSH-QGZVFWFLSA-N -1 3 400.516 2.838 20 0 HFADHM O=C(CCCS(=O)(=O)c1ccc(Br)cc1)[N-]OCc1cccnc1 ZINC000746945160 1078136238 /nfs/dbraw/zinc/13/62/38/1078136238.db2.gz IVXCEMMHQFDMLX-UHFFFAOYSA-N -1 3 413.293 2.646 20 0 HFADHM CCOC(=O)c1cc(NC(=O)c2nc(Br)ccc2Br)[n-]n1 ZINC000790851745 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3 409.435 2.983 20 0 HFADHM O=C(NCc1cccnc1F)c1c[n-]c2ccc(I)cc2c1=O ZINC000794009983 1078361481 /nfs/dbraw/zinc/36/14/81/1078361481.db2.gz SPGNXWOXFREQSD-UHFFFAOYSA-N -1 3 423.185 2.597 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)cc2)c(C)cc1F ZINC000794024605 1078363131 /nfs/dbraw/zinc/36/31/31/1078363131.db2.gz AMKHKRARCJPCLY-UHFFFAOYSA-N -1 3 422.478 2.554 20 0 HFADHM CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000794211880 1078393842 /nfs/dbraw/zinc/39/38/42/1078393842.db2.gz YGNMQXLJYQUOFQ-UHFFFAOYSA-N -1 3 420.425 2.705 20 0 HFADHM CCOc1cc2c(cc1/C=C\C(=O)Nc1cc3c(cc1[O-])n(C)c(=O)n3C)O[C@H](C)C2 ZINC000794217146 1078395003 /nfs/dbraw/zinc/39/50/03/1078395003.db2.gz FDNNPWNFHRWJGE-FMFIFOJESA-N -1 3 423.469 2.957 20 0 HFADHM CC(C)(NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)N1CCCC1 ZINC000794406488 1078427733 /nfs/dbraw/zinc/42/77/33/1078427733.db2.gz MJEYCKXUSIJZPB-FQEVSTJZSA-N -1 3 423.513 2.771 20 0 HFADHM 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CC(=O)Nc1ncc(S(=O)(=O)[N-]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)s1 ZINC000805078296 1078909638 /nfs/dbraw/zinc/90/96/38/1078909638.db2.gz MZAYSSAVCPQCNG-GFCCVEGCSA-N -1 3 424.331 2.810 20 0 HFADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000805136658 1078933697 /nfs/dbraw/zinc/93/36/97/1078933697.db2.gz MNZQEZHRAKEVRU-HNNXBMFYSA-N -1 3 401.843 2.668 20 0 HFADHM CCc1ccc([O-])c(C(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)c1 ZINC000805231215 1078974448 /nfs/dbraw/zinc/97/44/48/1078974448.db2.gz RFWAMVBRFQSSSP-AWEZNQCLSA-N -1 3 414.458 2.515 20 0 HFADHM CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000805289475 1079013091 /nfs/dbraw/zinc/01/30/91/1079013091.db2.gz RBKRBTCNUQENDM-CYBMUJFWSA-N -1 3 407.417 2.889 20 0 HFADHM C[C@H](CCOCc1ccccc1)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000805315106 1079015411 /nfs/dbraw/zinc/01/54/11/1079015411.db2.gz JBJVNRCTDYSYKQ-OAHLLOKOSA-N -1 3 420.506 2.992 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]CCOCC(F)(F)F)c(Cl)cc1Cl ZINC000747240667 1079040734 /nfs/dbraw/zinc/04/07/34/1079040734.db2.gz SRZYADQKKXQOBC-UHFFFAOYSA-N -1 3 410.197 2.637 20 0 HFADHM O=C(COC(=O)c1cnn[n-]1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 ZINC000805602743 1079151281 /nfs/dbraw/zinc/15/12/81/1079151281.db2.gz AXJKUTWWZWXVSM-UHFFFAOYSA-N -1 3 410.455 2.772 20 0 HFADHM O=C(COC(=O)c1c[n-]nn1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 ZINC000805602743 1079151286 /nfs/dbraw/zinc/15/12/86/1079151286.db2.gz AXJKUTWWZWXVSM-UHFFFAOYSA-N -1 3 410.455 2.772 20 0 HFADHM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)OC(=O)c1cnn[n-]1 ZINC000805607864 1079195243 /nfs/dbraw/zinc/19/52/43/1079195243.db2.gz SPHSJFAGXYNWJK-LLVKDONJSA-N -1 3 414.443 2.894 20 0 HFADHM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)OC(=O)c1c[n-]nn1 ZINC000805607864 1079195247 /nfs/dbraw/zinc/19/52/47/1079195247.db2.gz SPHSJFAGXYNWJK-LLVKDONJSA-N -1 3 414.443 2.894 20 0 HFADHM CC[C@]([N-]S(=O)(=O)c1ccc(/C=C/C(=O)OC)cc1)(C(=O)OC)c1ccccc1 ZINC000747267371 1079245457 /nfs/dbraw/zinc/24/54/57/1079245457.db2.gz JUFMBVYDRJGQDF-FFXXTYGZSA-N -1 3 417.483 2.630 20 0 HFADHM C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc[nH]1 ZINC000805238493 1079302272 /nfs/dbraw/zinc/30/22/72/1079302272.db2.gz UDRBHCZKDZLTGW-SNVBAGLBSA-N -1 3 405.307 2.660 20 0 HFADHM O=C(Nc1ccc(C2CCC2)cc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000787453972 1076817580 /nfs/dbraw/zinc/81/75/80/1076817580.db2.gz MSXBJBQNURYAOU-UHFFFAOYSA-N -1 3 407.470 2.583 20 0 HFADHM Cc1cc(CCNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc(C)c1O ZINC000787519710 1076845707 /nfs/dbraw/zinc/84/57/07/1076845707.db2.gz VTBSDSKBDVBJLE-UHFFFAOYSA-N -1 3 406.479 2.561 20 0 HFADHM Cc1cc(C)c(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1CO ZINC000787569203 1076866878 /nfs/dbraw/zinc/86/68/78/1076866878.db2.gz WLQUWYUNXZPYDM-UHFFFAOYSA-N -1 3 410.442 2.767 20 0 HFADHM C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1nnnn1C1CCCCC1 ZINC000787642038 1076893553 /nfs/dbraw/zinc/89/35/53/1076893553.db2.gz UZVANOABRXXQEA-YOEHRIQHSA-N -1 3 413.478 2.793 20 0 HFADHM CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787843526 1076960944 /nfs/dbraw/zinc/96/09/44/1076960944.db2.gz GIUPLBXFNXPFFL-ZDUSSCGKSA-N -1 3 402.422 2.784 20 0 HFADHM COc1cccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000772707920 1076965079 /nfs/dbraw/zinc/96/50/79/1076965079.db2.gz ADSFQHZPMXTKHM-AWEZNQCLSA-N -1 3 404.257 2.609 20 0 HFADHM COc1ccc([C@@H](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)N2CCCC2)cc1 ZINC000787917589 1076995128 /nfs/dbraw/zinc/99/51/28/1076995128.db2.gz DNYUWWMNUAHMQC-QGZVFWFLSA-N -1 3 413.902 2.998 20 0 HFADHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2C)s1 ZINC000788095397 1077057183 /nfs/dbraw/zinc/05/71/83/1077057183.db2.gz MGUJNBOWRQWLMI-UHFFFAOYSA-N -1 3 411.549 2.817 20 0 HFADHM CCOc1cc(Br)c(CC(=O)[N-]OC[C@@H]2CCOC2)cc1OCC ZINC000788116663 1077058292 /nfs/dbraw/zinc/05/82/92/1077058292.db2.gz CVOVWEINLPTIRP-GFCCVEGCSA-N -1 3 402.285 2.873 20 0 HFADHM C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000788276940 1077095692 /nfs/dbraw/zinc/09/56/92/1077095692.db2.gz UAWNKFDETSCOFY-HNNXBMFYSA-N -1 3 401.532 2.766 20 0 HFADHM Cn1[n-]c(-c2cccs2)nc1=NS(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000788557373 1077200875 /nfs/dbraw/zinc/20/08/75/1077200875.db2.gz SMKJIXPHTXUEBQ-UHFFFAOYSA-N -1 3 404.517 2.995 20 0 HFADHM COc1ccc(C(=O)N2CCC[C@@H](C(=O)[N-]OC[C@@H]3CCOC3)C2)c2ccccc12 ZINC000788574597 1077210833 /nfs/dbraw/zinc/21/08/33/1077210833.db2.gz OBFSCGWBZXWIHV-IAGOWNOFSA-N -1 3 412.486 2.785 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCc2ccc(O)c(OC)c2)c(C)c1Cl ZINC000788628678 1077236036 /nfs/dbraw/zinc/23/60/36/1077236036.db2.gz YPQFMZMUMGQFIA-UHFFFAOYSA-N -1 3 419.908 2.732 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@](C)(CO)c2ccccc2)c(C)c1Cl ZINC000788631470 1077237941 /nfs/dbraw/zinc/23/79/41/1077237941.db2.gz QFVAKQCYTRYUNT-MRXNPFEDSA-N -1 3 403.909 2.683 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H]2CCCCN2C2CC2)c(C)c1Cl ZINC000788679362 1077247679 /nfs/dbraw/zinc/24/76/79/1077247679.db2.gz GPJZUDNTBIBEPI-GFCCVEGCSA-N -1 3 406.957 2.792 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)[C@@H](O)Cc2ccccc2)c(C)c1Cl ZINC000788654173 1077253326 /nfs/dbraw/zinc/25/33/26/1077253326.db2.gz LOVZBHNJIOHNNC-YPMHNXCESA-N -1 3 417.936 2.767 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CO)Cc2ccc(F)cc2)c(C)c1Cl ZINC000788659006 1077255961 /nfs/dbraw/zinc/25/59/61/1077255961.db2.gz YDVVYVILGXODIR-LBPRGKRZSA-N -1 3 421.899 2.518 20 0 HFADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)[C@]12CCCO2 ZINC000788671258 1077262125 /nfs/dbraw/zinc/26/21/25/1077262125.db2.gz ZINZMZVXJFSGLU-GLKRBJQHSA-N -1 3 423.940 2.501 20 0 HFADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000788707162 1077266061 /nfs/dbraw/zinc/26/60/61/1077266061.db2.gz IICXGHUKGLOXSM-OAHLLOKOSA-N -1 3 406.479 2.807 20 0 HFADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000788724377 1077272630 /nfs/dbraw/zinc/27/26/30/1077272630.db2.gz VYXYNIYZYWTECX-DOTOQJQBSA-N -1 3 412.895 2.558 20 0 HFADHM Cc1ccc(C(=O)N2CCOCC2)cc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788748409 1077289008 /nfs/dbraw/zinc/28/90/08/1077289008.db2.gz YDXPSLWKLNHHLV-UHFFFAOYSA-N -1 3 414.483 2.643 20 0 HFADHM O=C([N-]Cc1nc(-c2cccc(Br)c2)no1)C(F)(F)C1(O)CCC1 ZINC000791090033 1077297521 /nfs/dbraw/zinc/29/75/21/1077297521.db2.gz OBRWOMJWOGBQQT-UHFFFAOYSA-N -1 3 402.195 2.666 20 0 HFADHM C[C@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000746985748 1077319339 /nfs/dbraw/zinc/31/93/39/1077319339.db2.gz IKYGILSTAJXMFN-DZGCQCFKSA-N -1 3 404.413 2.606 20 0 HFADHM O=C(OCc1ncc(Br)s1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000788915195 1077353030 /nfs/dbraw/zinc/35/30/30/1077353030.db2.gz VBPYUEBEHYEQNB-LLVKDONJSA-N -1 3 411.277 2.959 20 0 HFADHM O=C(COC(=O)c1cccnc1OCc1ccccc1F)[N-]C(=O)c1cccs1 ZINC000791755149 1077553388 /nfs/dbraw/zinc/55/33/88/1077553388.db2.gz YZGCHKRNQAKLLG-UHFFFAOYSA-N -1 3 414.414 2.975 20 0 HFADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OCC[C@H]1CNC(=O)C1 ZINC000792006890 1077646274 /nfs/dbraw/zinc/64/62/74/1077646274.db2.gz FDBPXAXUGSAWOU-CQSZACIVSA-N -1 3 420.462 2.618 20 0 HFADHM C[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)NC(=O)OC(C)(C)C ZINC000792140636 1077720064 /nfs/dbraw/zinc/72/00/64/1077720064.db2.gz CYHJNVPBSWKWAQ-SNVBAGLBSA-N -1 3 402.289 2.867 20 0 HFADHM Cc1cnn(CCOC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000792203908 1077744118 /nfs/dbraw/zinc/74/41/18/1077744118.db2.gz TWKXYXIFPZWWPD-UHFFFAOYSA-N -1 3 403.435 2.988 20 0 HFADHM C[C@@H](NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)c1ccc(Cl)cn1 ZINC000792447232 1077852801 /nfs/dbraw/zinc/85/28/01/1077852801.db2.gz GPBUVJBCVVCAHV-SECBINFHSA-N -1 3 415.849 2.945 20 0 HFADHM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000792532430 1077889860 /nfs/dbraw/zinc/88/98/60/1077889860.db2.gz CYFFLOMERYLFAO-WCBMZHEXSA-N -1 3 412.380 2.818 20 0 HFADHM CCCCc1nc(NC(=O)CN2c3ccccc3OCCC2=O)c(C(=O)OCC)[n-]1 ZINC000792556429 1077902696 /nfs/dbraw/zinc/90/26/96/1077902696.db2.gz VCFJXWQPFDMXCV-UHFFFAOYSA-N -1 3 414.462 2.683 20 0 HFADHM O=C(c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)N1CCCc2n[nH]cc21 ZINC000790067463 1077920343 /nfs/dbraw/zinc/92/03/43/1077920343.db2.gz BTDXTLXJERIYEA-UHFFFAOYSA-N -1 3 415.302 2.750 20 0 HFADHM COc1cc(Cl)c(S(=O)(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cc1C(=O)[O-] ZINC000792591355 1077925027 /nfs/dbraw/zinc/92/50/27/1077925027.db2.gz LIERIUJLLSWUON-RWMBFGLXSA-N -1 3 418.943 2.692 20 0 HFADHM CC(C)OC(=O)CC[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000792601600 1077930819 /nfs/dbraw/zinc/93/08/19/1077930819.db2.gz YQYBYUWHYVSFMJ-ZDUSSCGKSA-N -1 3 416.515 2.753 20 0 HFADHM CCCn1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)ccc1=O ZINC000790053774 1077932456 /nfs/dbraw/zinc/93/24/56/1077932456.db2.gz KAJXTVKDPHWKQH-UHFFFAOYSA-N -1 3 414.867 2.508 20 0 HFADHM CCO[C@H](CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CCCC1 ZINC000746879455 1077946536 /nfs/dbraw/zinc/94/65/36/1077946536.db2.gz JYAFAMRWJFVHKJ-GOSISDBHSA-N -1 3 412.527 2.982 20 0 HFADHM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(S(C)(=O)=O)c3)cc2)n1 ZINC000790102230 1077949739 /nfs/dbraw/zinc/94/97/39/1077949739.db2.gz OCTUMPQHHDXWQI-UHFFFAOYSA-N -1 3 409.464 2.524 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CCc3ccc(N(C)C)cc3)c2)[n-]1 ZINC000790160902 1077962299 /nfs/dbraw/zinc/96/22/99/1077962299.db2.gz WCGHMSHMRMXEGE-UHFFFAOYSA-N -1 3 421.501 2.963 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CCc3ccc(N(C)C)cc3)c2)n[n-]1 ZINC000790160902 1077962301 /nfs/dbraw/zinc/96/23/01/1077962301.db2.gz WCGHMSHMRMXEGE-UHFFFAOYSA-N -1 3 421.501 2.963 20 0 HFADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000790392547 1078013692 /nfs/dbraw/zinc/01/36/92/1078013692.db2.gz IVMPPJNHVHPPAT-FCHUYYIVSA-N -1 3 420.513 2.947 20 0 HFADHM CC(C)[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@H](O)c1ccccc1 ZINC000790372469 1078017378 /nfs/dbraw/zinc/01/73/78/1078017378.db2.gz QFBNKMUTUICGHJ-VQTJNVASSA-N -1 3 420.506 2.754 20 0 HFADHM O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000807143651 1080300867 /nfs/dbraw/zinc/30/08/67/1080300867.db2.gz KJRTWPYLCWELBP-LBPRGKRZSA-N -1 3 418.420 2.556 20 0 HFADHM O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000807143650 1080300935 /nfs/dbraw/zinc/30/09/35/1080300935.db2.gz KJRTWPYLCWELBP-GFCCVEGCSA-N -1 3 418.420 2.556 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)O)ccc1F ZINC000747401275 1080765579 /nfs/dbraw/zinc/76/55/79/1080765579.db2.gz GHQMEOFOVGOGCD-OAHLLOKOSA-N -1 3 408.495 2.536 20 0 HFADHM CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)c1 ZINC000747406895 1080799253 /nfs/dbraw/zinc/79/92/53/1080799253.db2.gz KHUPQZHVHGZSSV-UHFFFAOYSA-N -1 3 416.463 2.668 20 0 HFADHM CCC(=O)Nc1cccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001123267465 939816589 /nfs/dbraw/zinc/81/65/89/939816589.db2.gz HRYWMZUCOVRSOM-HSZRJFAPSA-N -1 3 409.486 2.884 20 0 HFADHM Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@]1(C(=O)[O-])CCCN(Cc3ccccc3)C1)C2 ZINC001123267801 939816957 /nfs/dbraw/zinc/81/69/57/939816957.db2.gz LVZVEGCHCLTHDN-ZJSXRUAMSA-N -1 3 408.498 2.843 20 0 HFADHM C[C@]1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793338784 1078144676 /nfs/dbraw/zinc/14/46/76/1078144676.db2.gz GNBQFRJAWKFACY-NRFANRHFSA-N -1 3 406.446 2.854 20 0 HFADHM C[C@]1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793338784 1078144679 /nfs/dbraw/zinc/14/46/79/1078144679.db2.gz GNBQFRJAWKFACY-NRFANRHFSA-N -1 3 406.446 2.854 20 0 HFADHM CCOC(=O)Cc1nnc([N-]C(=O)c2cnc(Br)c(Cl)c2)s1 ZINC000790882513 1078169658 /nfs/dbraw/zinc/16/96/58/1078169658.db2.gz OZXCTFZPUIHOMJ-UHFFFAOYSA-N -1 3 405.661 2.707 20 0 HFADHM O=C([N-]C[C@H]1CCCN(CN2CC[C@@H](CCc3ccccc3)C2=O)C1)C(F)(F)F ZINC000793518546 1078198014 /nfs/dbraw/zinc/19/80/14/1078198014.db2.gz GOBYFICPMMUBFD-QZTJIDSGSA-N -1 3 411.468 2.816 20 0 HFADHM O=S(=O)([N-]Cc1cn(-c2ccccc2)nn1)c1ccc(Br)cc1F ZINC000772835798 1078254150 /nfs/dbraw/zinc/25/41/50/1078254150.db2.gz SFTCVEDRJVEYKL-UHFFFAOYSA-N -1 3 411.256 2.647 20 0 HFADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCc1cccnc1F ZINC000794004759 1078360407 /nfs/dbraw/zinc/36/04/07/1078360407.db2.gz LQFBUDWQLCANSM-UHFFFAOYSA-N -1 3 406.266 2.512 20 0 HFADHM CCOc1cc2c(cc1/C=C/C(=O)Nc1cc3c(cc1[O-])n(C)c(=O)n3C)O[C@@H](C)C2 ZINC000794217152 1078394990 /nfs/dbraw/zinc/39/49/90/1078394990.db2.gz FDNNPWNFHRWJGE-YBJDMEARSA-N -1 3 423.469 2.957 20 0 HFADHM COc1cc(CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)ccn1 ZINC001170447458 1078437808 /nfs/dbraw/zinc/43/78/08/1078437808.db2.gz VFSNBUAMIJGLQM-UHFFFAOYSA-N -1 3 402.248 2.667 20 0 HFADHM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1 ZINC000804467529 1078531777 /nfs/dbraw/zinc/53/17/77/1078531777.db2.gz DXGVTUCHPDVTIN-HXPMCKFVSA-N -1 3 424.469 2.566 20 0 HFADHM C[C@H](CC(=O)N1CCC=C(c2ccncc2)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000804747357 1078581703 /nfs/dbraw/zinc/58/17/03/1078581703.db2.gz YERJAWHLAJWCKO-CQSZACIVSA-N -1 3 420.922 2.503 20 0 HFADHM C[C@@H](O)c1cc(NC(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)ccc1F ZINC000804802047 1078632934 /nfs/dbraw/zinc/63/29/34/1078632934.db2.gz DVULSQQSCJOOGP-WDEREUQCSA-N -1 3 415.874 2.623 20 0 HFADHM Cc1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cnc(Cl)c(F)c3)CC2)cc1 ZINC000804984757 1078820964 /nfs/dbraw/zinc/82/09/64/1078820964.db2.gz MWGKUZZZRASYDS-UHFFFAOYSA-N -1 3 411.886 2.766 20 0 HFADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)n1 ZINC000804985925 1078821676 /nfs/dbraw/zinc/82/16/76/1078821676.db2.gz ADAGSGMMQWFGLK-SECBINFHSA-N -1 3 414.452 2.785 20 0 HFADHM Cc1nc(S(=O)(=O)[N-][C@H]2COc3c2ccc(C)c3C)c(Br)n1C ZINC000804985883 1078821714 /nfs/dbraw/zinc/82/17/14/1078821714.db2.gz BBYGQKQMHUXCQK-LBPRGKRZSA-N -1 3 400.298 2.520 20 0 HFADHM COCc1ccccc1CS(=O)(=O)[N-][C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000805017725 1078828733 /nfs/dbraw/zinc/82/87/33/1078828733.db2.gz LBSNKJMGQVANCT-HXUWFJFHSA-N -1 3 402.516 2.756 20 0 HFADHM COCCCO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000805045869 1078860435 /nfs/dbraw/zinc/86/04/35/1078860435.db2.gz ZTWXGLVDHWMUEU-MRXNPFEDSA-N -1 3 400.475 2.785 20 0 HFADHM Cc1nc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)ccc1[C@@H](C)O ZINC000805055325 1078868934 /nfs/dbraw/zinc/86/89/34/1078868934.db2.gz VPKLNDHFFMZZSV-SNVBAGLBSA-N -1 3 408.373 2.960 20 0 HFADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(-c3ccccc3)cc2)s1 ZINC000805065582 1078876187 /nfs/dbraw/zinc/87/61/87/1078876187.db2.gz YTDLJRKQWQLZSX-QGZVFWFLSA-N -1 3 417.512 2.780 20 0 HFADHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)[C@H]1Oc1ccccc1 ZINC000805067099 1078877948 /nfs/dbraw/zinc/87/79/48/1078877948.db2.gz IVZMYQYRHYCWIT-ARFHVFGLSA-N -1 3 400.859 2.777 20 0 HFADHM CC(C)(C)OC(=O)N1CC=C(C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000805071452 1078879872 /nfs/dbraw/zinc/87/98/72/1078879872.db2.gz SJAZFPNWVOVLLP-UHFFFAOYSA-N -1 3 405.879 2.720 20 0 HFADHM COCc1ccccc1CS(=O)(=O)[N-][C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000805076055 1078906951 /nfs/dbraw/zinc/90/69/51/1078906951.db2.gz CXASNJLCRXETEX-HXUWFJFHSA-N -1 3 416.543 2.983 20 0 HFADHM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000805090221 1078917586 /nfs/dbraw/zinc/91/75/86/1078917586.db2.gz SFOAWSXVKOKEOI-SECBINFHSA-N -1 3 407.382 2.694 20 0 HFADHM COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805094738 1078920248 /nfs/dbraw/zinc/92/02/48/1078920248.db2.gz RVQQICDCCLZRBH-BXUZGUMPSA-N -1 3 400.859 2.573 20 0 HFADHM CCC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)OC ZINC000747238908 1079021751 /nfs/dbraw/zinc/02/17/51/1079021751.db2.gz KUENFROLYNLKKM-HNNXBMFYSA-N -1 3 412.291 2.790 20 0 HFADHM COC(=O)CCCCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000747238611 1079026879 /nfs/dbraw/zinc/02/68/79/1079026879.db2.gz RQTYXRGJZNVJEJ-UHFFFAOYSA-N -1 3 412.291 2.792 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]C2(C(=O)OC)CCCC2)c(Cl)cc1Cl ZINC000747241340 1079060372 /nfs/dbraw/zinc/06/03/72/1079060372.db2.gz YXMBZJWBFZIPGY-UHFFFAOYSA-N -1 3 410.275 2.544 20 0 HFADHM O=C(CCCOC(=O)c1ccc(I)c([O-])c1)N1CCCCC1 ZINC000805529572 1079122239 /nfs/dbraw/zinc/12/22/39/1079122239.db2.gz FQZLSZGHPUIKLR-UHFFFAOYSA-N -1 3 417.243 2.946 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]CCN2CCC[C@H](C)C2)c(Cl)cc1Cl ZINC000747246606 1079123242 /nfs/dbraw/zinc/12/32/42/1079123242.db2.gz FRRCOYXQFONOSY-NSHDSACASA-N -1 3 409.335 2.790 20 0 HFADHM C[C@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1nncn1C ZINC000805539855 1079130101 /nfs/dbraw/zinc/13/01/01/1079130101.db2.gz CSRMFUSLRLZQHW-LBPRGKRZSA-N -1 3 404.423 2.673 20 0 HFADHM O=C(OCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1cnn[n-]1 ZINC000805606337 1079153385 /nfs/dbraw/zinc/15/33/85/1079153385.db2.gz WDVPLMJPUBERLJ-INIZCTEOSA-N -1 3 420.878 2.725 20 0 HFADHM O=C(OCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1c[n-]nn1 ZINC000805606337 1079153390 /nfs/dbraw/zinc/15/33/90/1079153390.db2.gz WDVPLMJPUBERLJ-INIZCTEOSA-N -1 3 420.878 2.725 20 0 HFADHM C[C@H](OC(=O)c1cnn[n-]1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000805610290 1079174146 /nfs/dbraw/zinc/17/41/46/1079174146.db2.gz YWCJGVXRNASRSJ-ZBEGNZNMSA-N -1 3 413.821 2.974 20 0 HFADHM C[C@H](OC(=O)c1c[n-]nn1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000805610290 1079174149 /nfs/dbraw/zinc/17/41/49/1079174149.db2.gz YWCJGVXRNASRSJ-ZBEGNZNMSA-N -1 3 413.821 2.974 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]C2CCC(NC(C)=O)CC2)c(Cl)cc1Cl ZINC000747264634 1079214349 /nfs/dbraw/zinc/21/43/49/1079214349.db2.gz WJADJWVXTLTBIA-UHFFFAOYSA-N -1 3 423.318 2.506 20 0 HFADHM COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCC(=O)NC(C)C ZINC000805828852 1079298924 /nfs/dbraw/zinc/29/89/24/1079298924.db2.gz CDKLDTAMTGVXMU-YJBOKZPZSA-N -1 3 415.456 2.794 20 0 HFADHM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc(CN2CCCC2)c1 ZINC000805900424 1079326890 /nfs/dbraw/zinc/32/68/90/1079326890.db2.gz OVPHRFFCDPXFKT-UHFFFAOYSA-N -1 3 413.421 2.815 20 0 HFADHM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C(=O)c1cccc(CN2CCCC2)c1 ZINC000805914961 1079331137 /nfs/dbraw/zinc/33/11/37/1079331137.db2.gz FWBPDSJCOAFTRI-UHFFFAOYSA-N -1 3 418.563 2.870 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(Cl)cc1Cl ZINC000747276795 1079337767 /nfs/dbraw/zinc/33/77/67/1079337767.db2.gz GOGCKBPSLVFRHS-MCCGJVOXSA-N -1 3 408.303 2.872 20 0 HFADHM Cc1ccc(CS(=O)(=O)[N-]C(=O)C2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000805929365 1079359520 /nfs/dbraw/zinc/35/95/20/1079359520.db2.gz BONZHFNTAVJPEU-UHFFFAOYSA-N -1 3 404.507 2.992 20 0 HFADHM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000746688054 1076836623 /nfs/dbraw/zinc/83/66/23/1076836623.db2.gz PNHTXHNTASGMJH-GOSISDBHSA-N -1 3 422.554 2.856 20 0 HFADHM C[C@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000746693158 1076871336 /nfs/dbraw/zinc/87/13/36/1076871336.db2.gz MPUUTTJHNASKFK-GUYCJALGSA-N -1 3 413.927 2.677 20 0 HFADHM CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000787785963 1076945610 /nfs/dbraw/zinc/94/56/10/1076945610.db2.gz NXMHURGDFYQYNX-NVXWUHKLSA-N -1 3 417.506 2.513 20 0 HFADHM Cc1ccnc(-c2n[nH]c([C@H](C)[N-]C(=O)C(F)(F)Oc3ccc(C=O)cc3)n2)c1 ZINC000787804834 1076950997 /nfs/dbraw/zinc/95/09/97/1076950997.db2.gz MEKOXZVVWIGWOD-LBPRGKRZSA-N -1 3 401.373 2.837 20 0 HFADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(C)CCCCO)c2)c1 ZINC000788551858 1077198215 /nfs/dbraw/zinc/19/82/15/1077198215.db2.gz OPZVGRZISVSRGD-UHFFFAOYSA-N -1 3 402.447 2.506 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H]2COc3ccccc3O2)c(C)c1Cl ZINC000788578988 1077211779 /nfs/dbraw/zinc/21/17/79/1077211779.db2.gz BGEOFFRGUREORI-JTQLQIEISA-N -1 3 417.892 2.615 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCc2ccc3c(c2)OCO3)c(C)c1Cl ZINC000788592746 1077216128 /nfs/dbraw/zinc/21/61/28/1077216128.db2.gz RVTKZFQKQFWSBV-UHFFFAOYSA-N -1 3 417.892 2.746 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCC(=O)NC2CCCCC2)c(C)c1Cl ZINC000788599538 1077218857 /nfs/dbraw/zinc/21/88/57/1077218857.db2.gz DERMGKHRHSKOSC-UHFFFAOYSA-N -1 3 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ZINC000788678073 1077246938 /nfs/dbraw/zinc/24/69/38/1077246938.db2.gz KWEBDDNSIUTTTR-ZDUSSCGKSA-N -1 3 417.936 2.687 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(C)c1Cl ZINC000788654192 1077253641 /nfs/dbraw/zinc/25/36/41/1077253641.db2.gz LXOGHMCSQZVGNO-ZWKOPEQDSA-N -1 3 405.925 2.732 20 0 HFADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cnc(Br)c(Cl)c1 ZINC000790963754 1077255820 /nfs/dbraw/zinc/25/58/20/1077255820.db2.gz YHAVJFSFKXXCRR-UHFFFAOYSA-N -1 3 416.615 2.651 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CO)Cc2ccc(F)cc2)c(C)c1Cl ZINC000788659003 1077255938 /nfs/dbraw/zinc/25/59/38/1077255938.db2.gz YDVVYVILGXODIR-GFCCVEGCSA-N -1 3 421.899 2.518 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CC2([C@H](C)CCO)CCC2)c(C)c1Cl ZINC000788663748 1077258553 /nfs/dbraw/zinc/25/85/53/1077258553.db2.gz REZOAYCBWAHGLX-SNVBAGLBSA-N -1 3 409.957 2.964 20 0 HFADHM CCCCc1nc(NC(=O)c2ccc(F)c(S(C)(=O)=O)c2)c(C(=O)OCC)[n-]1 ZINC000791018308 1077273448 /nfs/dbraw/zinc/27/34/48/1077273448.db2.gz BYGCQADYAVUCKS-UHFFFAOYSA-N -1 3 411.455 2.724 20 0 HFADHM NC(=O)c1ccc(N2CCCCC2)c([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000788842476 1077316911 /nfs/dbraw/zinc/31/69/11/1077316911.db2.gz IEUMXEAUNFNZGB-UHFFFAOYSA-N -1 3 413.499 2.951 20 0 HFADHM C[C@H](O)C[C@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000791165163 1077322747 /nfs/dbraw/zinc/32/27/47/1077322747.db2.gz VIMVZMXJIBFBSP-DZGCQCFKSA-N -1 3 400.516 2.668 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCc3ccc(Cl)nc3)c2)[n-]1 ZINC000788882381 1077328805 /nfs/dbraw/zinc/32/88/05/1077328805.db2.gz DAIUEXMMBPOXBX-UHFFFAOYSA-N -1 3 414.853 2.696 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NCc3ccc(Cl)nc3)c2)n[n-]1 ZINC000788882381 1077328810 /nfs/dbraw/zinc/32/88/10/1077328810.db2.gz DAIUEXMMBPOXBX-UHFFFAOYSA-N -1 3 414.853 2.696 20 0 HFADHM O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000772728505 1077372567 /nfs/dbraw/zinc/37/25/67/1077372567.db2.gz ICHLNZJVBKASAO-CFLQYTFWSA-N -1 3 418.465 2.864 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC3(CCOCC3)CC2)ccc1F ZINC000791323165 1077373991 /nfs/dbraw/zinc/37/39/91/1077373991.db2.gz PXNXYBXXAGZFRN-UHFFFAOYSA-N -1 3 412.527 2.935 20 0 HFADHM CN(Cc1ccccc1)Cc1cccc(C(=O)[N-]S(=O)(=O)c2ncccc2F)c1 ZINC000791934846 1077598900 /nfs/dbraw/zinc/59/89/00/1077598900.db2.gz JOTLGZGDLZCIDT-UHFFFAOYSA-N -1 3 413.474 2.971 20 0 HFADHM Cc1cnn(CCOC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000792202404 1077744168 /nfs/dbraw/zinc/74/41/68/1077744168.db2.gz ITACVSJUDJZUPZ-UHFFFAOYSA-N -1 3 403.435 2.988 20 0 HFADHM Cc1cc(NC(=O)C(=O)[N-]OCc2ccccc2)cc(N2CCN(C(C)C)CC2)c1 ZINC000792210775 1077765707 /nfs/dbraw/zinc/76/57/07/1077765707.db2.gz QLALERQVOKAYLN-UHFFFAOYSA-N -1 3 410.518 2.712 20 0 HFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)nc21 ZINC000789817266 1077825102 /nfs/dbraw/zinc/82/51/02/1077825102.db2.gz IBKDPZSXWCLUKF-GFCCVEGCSA-N -1 3 400.435 2.545 20 0 HFADHM CC(C)C[C@]1(CO)CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000789875079 1077831905 /nfs/dbraw/zinc/83/19/05/1077831905.db2.gz QLJLBGUWFODQRL-IBGZPJMESA-N -1 3 400.516 2.526 20 0 HFADHM CC(=O)N1CSC[C@@H]1c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000789869572 1077844207 /nfs/dbraw/zinc/84/42/07/1077844207.db2.gz WCBQXXYXJLKLDI-LLVKDONJSA-N -1 3 421.280 2.878 20 0 HFADHM C[C@H](CC(=O)N[C@H](C)c1ccc(Cl)cn1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000792446744 1077853148 /nfs/dbraw/zinc/85/31/48/1077853148.db2.gz CXURWNGCIYMWPO-GHMZBOCLSA-N -1 3 417.318 2.718 20 0 HFADHM O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000789949429 1077864591 /nfs/dbraw/zinc/86/45/91/1077864591.db2.gz IJFPPLKPLWULQY-QGZVFWFLSA-N -1 3 404.898 2.605 20 0 HFADHM C[C@H](CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000792538747 1077893389 /nfs/dbraw/zinc/89/33/89/1077893389.db2.gz MPRFMTPWNAELAQ-OUAUKWLOSA-N -1 3 413.849 2.591 20 0 HFADHM CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNc2ccccc2-c2nnn[n-]2)OC(C)(C)O1 ZINC001170210754 1077908086 /nfs/dbraw/zinc/90/80/86/1077908086.db2.gz OKNIHSBQBMSGHH-KGLIPLIRSA-N -1 3 403.483 2.921 20 0 HFADHM CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNc2ccccc2-c2nn[n-]n2)OC(C)(C)O1 ZINC001170210754 1077908089 /nfs/dbraw/zinc/90/80/89/1077908089.db2.gz OKNIHSBQBMSGHH-KGLIPLIRSA-N -1 3 403.483 2.921 20 0 HFADHM CCC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H](O)c1ccccc1 ZINC000792562386 1077912380 /nfs/dbraw/zinc/91/23/80/1077912380.db2.gz GTBPRJLJAOHMBV-QUCCMNQESA-N -1 3 420.506 2.899 20 0 HFADHM CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001170238612 1077914606 /nfs/dbraw/zinc/91/46/06/1077914606.db2.gz QGAKXWYMQJAJQQ-XCRHUMRWSA-N -1 3 404.515 2.859 20 0 HFADHM CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001170238612 1077914608 /nfs/dbraw/zinc/91/46/08/1077914608.db2.gz QGAKXWYMQJAJQQ-XCRHUMRWSA-N -1 3 404.515 2.859 20 0 HFADHM O=C([N-]c1nc(Cl)ccc1O)c1sccc1S(=O)(=O)NCc1ccco1 ZINC000790055096 1077933439 /nfs/dbraw/zinc/93/34/39/1077933439.db2.gz CCTMVFJZXLYYQG-UHFFFAOYSA-N -1 3 413.864 2.826 20 0 HFADHM COC(=O)CC1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)CCCCC1 ZINC000746872172 1077936305 /nfs/dbraw/zinc/93/63/05/1077936305.db2.gz UIGXFQDFDMJCJL-UHFFFAOYSA-N -1 3 414.499 2.508 20 0 HFADHM CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000792618534 1077944346 /nfs/dbraw/zinc/94/43/46/1077944346.db2.gz MWJPENVVDDHAPH-NVXWUHKLSA-N -1 3 419.522 2.759 20 0 HFADHM CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](Nc2ccc(=S)[n-]n2)C1 ZINC001170375227 1077961892 /nfs/dbraw/zinc/96/18/92/1077961892.db2.gz BBCXQCXEUIWBDM-FRQCXROJSA-N -1 3 422.551 2.518 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C=Cc3ccc4c(c3)OCO4)c2)[n-]1 ZINC000790160619 1077962507 /nfs/dbraw/zinc/96/25/07/1077962507.db2.gz UGTKFOKKFBOCMS-CLFYSBASSA-N -1 3 420.425 2.707 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C=Cc3ccc4c(c3)OCO4)c2)n[n-]1 ZINC000790160619 1077962510 /nfs/dbraw/zinc/96/25/10/1077962510.db2.gz UGTKFOKKFBOCMS-CLFYSBASSA-N -1 3 420.425 2.707 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C3=NO[C@@H](c4ccccc4)C3)c2)[n-]1 ZINC000790160573 1077962557 /nfs/dbraw/zinc/96/25/57/1077962557.db2.gz SAQRSRLRNXVXIX-GOSISDBHSA-N -1 3 419.441 2.782 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C3=NO[C@@H](c4ccccc4)C3)c2)n[n-]1 ZINC000790160573 1077962560 /nfs/dbraw/zinc/96/25/60/1077962560.db2.gz SAQRSRLRNXVXIX-GOSISDBHSA-N -1 3 419.441 2.782 20 0 HFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)c1 ZINC000746891828 1077995999 /nfs/dbraw/zinc/99/59/99/1077995999.db2.gz KNLARTGRLFOWFR-MLGOLLRUSA-N -1 3 421.494 2.841 20 0 HFADHM CC(C)[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@H](O)c1ccccc1 ZINC000790395150 1078014202 /nfs/dbraw/zinc/01/42/02/1078014202.db2.gz PRISJEZOFPBZOE-IAGOWNOFSA-N -1 3 416.952 2.554 20 0 HFADHM C[C@]12CCN(S(=O)(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)C[C@H]1C2(Cl)Cl ZINC000790368878 1078016208 /nfs/dbraw/zinc/01/62/08/1078016208.db2.gz LSWICSCPVRXXQW-YPMHNXCESA-N -1 3 422.725 2.725 20 0 HFADHM C[C@]12CCN(S(=O)(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)C[C@H]1C2(Cl)Cl ZINC000790368878 1078016213 /nfs/dbraw/zinc/01/62/13/1078016213.db2.gz LSWICSCPVRXXQW-YPMHNXCESA-N -1 3 422.725 2.725 20 0 HFADHM C[C@@]1(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792887765 1078017470 /nfs/dbraw/zinc/01/74/70/1078017470.db2.gz BOXGOYMJTHYHRZ-OAQYLSRUSA-N -1 3 406.446 2.854 20 0 HFADHM C[C@@]1(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792887765 1078017475 /nfs/dbraw/zinc/01/74/75/1078017475.db2.gz BOXGOYMJTHYHRZ-OAQYLSRUSA-N -1 3 406.446 2.854 20 0 HFADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1cncc(Br)c1)C1CC1 ZINC000790432137 1078028825 /nfs/dbraw/zinc/02/88/25/1078028825.db2.gz BPLIHXRUGBHXNX-LBPRGKRZSA-N -1 3 419.732 2.969 20 0 HFADHM COC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1cccc(OC)c1 ZINC001130654708 1079760328 /nfs/dbraw/zinc/76/03/28/1079760328.db2.gz SVPDMKDKJUOADL-GOSISDBHSA-N -1 3 424.494 2.639 20 0 HFADHM Cc1cc2c(cc1C)N(C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)CC2 ZINC000807208846 1080357734 /nfs/dbraw/zinc/35/77/34/1080357734.db2.gz XKCPBWXIDMNTIM-UHFFFAOYSA-N -1 3 409.458 2.632 20 0 HFADHM O=S(=O)([N-]c1cccc(C2SCCS2)c1)c1ccc(-n2cnnn2)cc1 ZINC000747407551 1080817461 /nfs/dbraw/zinc/81/74/61/1080817461.db2.gz QNHPMFDEZLFNGG-UHFFFAOYSA-N -1 3 405.530 2.942 20 0 HFADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C[C@H](C)O1 ZINC000747407504 1080817518 /nfs/dbraw/zinc/81/75/18/1080817518.db2.gz IPHIXAQEXSHYKR-BETUJISGSA-N -1 3 402.476 2.683 20 0 HFADHM CSc1cc2c(cc1CN[C@@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-])OCCO2 ZINC000426728858 1126083859 /nfs/dbraw/zinc/08/38/59/1126083859.db2.gz YBXBCNOPFSWTKF-NSHDSACASA-N -1 3 417.409 2.638 20 0 HFADHM O=C([O-])[C@H](Cn1cc(Cl)cn1)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC001325678262 1126172817 /nfs/dbraw/zinc/17/28/17/1126172817.db2.gz BOOVMIMRGNHEHD-HNNXBMFYSA-N -1 3 424.686 2.728 20 0 HFADHM CC1(C)CN(C2(CNC(=O)N[C@H](C(=O)[O-])c3ccccc3)CCCCC2)CCO1 ZINC000780569796 939133870 /nfs/dbraw/zinc/13/38/70/939133870.db2.gz ZTODKSXKVCPFTN-SFHVURJKSA-N -1 3 403.523 2.925 20 0 HFADHM Cn1cc(-c2cccc(C(=O)N[C@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)c2)cn1 ZINC001123372280 939822417 /nfs/dbraw/zinc/82/24/17/939822417.db2.gz KWKHZJDIKJRTBZ-XMMPIXPASA-N -1 3 418.497 2.936 20 0 HFADHM COc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1F ZINC001263627348 939827671 /nfs/dbraw/zinc/82/76/71/939827671.db2.gz HYMJZHXPUAYGPN-QFIPXVFZSA-N -1 3 400.450 2.612 20 0 HFADHM O=C([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1nc(Cl)cs1 ZINC000790618787 1078078472 /nfs/dbraw/zinc/07/84/72/1078078472.db2.gz NXMHEGIXZMOBFV-UHFFFAOYSA-N -1 3 422.315 2.723 20 0 HFADHM C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)[N-]OCc1cccnc1 ZINC000746938505 1078089195 /nfs/dbraw/zinc/08/91/95/1078089195.db2.gz VXYXVYAKNPJLIZ-GFCCVEGCSA-N -1 3 413.293 2.502 20 0 HFADHM CC1(C)COC(=O)[C@H]1OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000793292960 1078120140 /nfs/dbraw/zinc/12/01/40/1078120140.db2.gz FPRSEAWFHBPMGJ-MRXNPFEDSA-N -1 3 407.419 2.735 20 0 HFADHM O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000793345995 1078131901 /nfs/dbraw/zinc/13/19/01/1078131901.db2.gz OKZNPSAPDKESAH-MJGOQNOKSA-N -1 3 409.417 2.524 20 0 HFADHM O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000793345995 1078131904 /nfs/dbraw/zinc/13/19/04/1078131904.db2.gz OKZNPSAPDKESAH-MJGOQNOKSA-N -1 3 409.417 2.524 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@H]3C)cc2)c(C)cc1F ZINC000793393815 1078165504 /nfs/dbraw/zinc/16/55/04/1078165504.db2.gz IASGHFBQRFBSPN-CQSZACIVSA-N -1 3 422.478 2.947 20 0 HFADHM O=C([N-]C[C@H]1CCCN(CN2CC[C@H](CCc3ccccc3)C2=O)C1)C(F)(F)F ZINC000793518543 1078197903 /nfs/dbraw/zinc/19/79/03/1078197903.db2.gz GOBYFICPMMUBFD-MSOLQXFVSA-N -1 3 411.468 2.816 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)[n-]1 ZINC000793964017 1078348378 /nfs/dbraw/zinc/34/83/78/1078348378.db2.gz PCTWIRMZDTWZQX-OAHLLOKOSA-N -1 3 414.462 2.887 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c[n-]1 ZINC000793964017 1078348380 /nfs/dbraw/zinc/34/83/80/1078348380.db2.gz PCTWIRMZDTWZQX-OAHLLOKOSA-N -1 3 414.462 2.887 20 0 HFADHM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C)c1 ZINC000794019200 1078361977 /nfs/dbraw/zinc/36/19/77/1078361977.db2.gz UEXVQHPBRBOLFP-UHFFFAOYSA-N -1 3 404.488 2.803 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(CN(C)C)ccc2OC)c(C)cc1F ZINC000794028660 1078369154 /nfs/dbraw/zinc/36/91/54/1078369154.db2.gz IZXCFTADSRKZNO-UHFFFAOYSA-N -1 3 410.467 2.792 20 0 HFADHM O=C(Nc1ccc(F)c(N2CCOC2=O)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000794104518 1078372700 /nfs/dbraw/zinc/37/27/00/1078372700.db2.gz ZQMAYBIJQKNGNG-INIZCTEOSA-N -1 3 413.405 2.731 20 0 HFADHM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)C1 ZINC000794199692 1078384039 /nfs/dbraw/zinc/38/40/39/1078384039.db2.gz IYPOWQYDIYYSBE-WBMJQRKESA-N -1 3 418.494 2.557 20 0 HFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1 ZINC000794220213 1078386048 /nfs/dbraw/zinc/38/60/48/1078386048.db2.gz BNMLEIGVFNDSKM-QFIPXVFZSA-N -1 3 411.458 2.882 20 0 HFADHM COc1ccc(SC)c(OC)c1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000794210083 1078393867 /nfs/dbraw/zinc/39/38/67/1078393867.db2.gz GMPKYIBDHXEIFE-UHFFFAOYSA-N -1 3 403.460 2.574 20 0 HFADHM C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000804666423 1078475425 /nfs/dbraw/zinc/47/54/25/1078475425.db2.gz LFYTUWWQODRCPQ-LSDHHAIUSA-N -1 3 404.463 2.984 20 0 HFADHM Cc1nc(C)c(CC(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)c(=O)[n-]1 ZINC000804668726 1078501678 /nfs/dbraw/zinc/50/16/78/1078501678.db2.gz VWSPACSWCJFQIJ-YOEHRIQHSA-N -1 3 404.511 2.591 20 0 HFADHM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1 ZINC000804467526 1078531697 /nfs/dbraw/zinc/53/16/97/1078531697.db2.gz DXGVTUCHPDVTIN-BLVKFPJESA-N -1 3 424.469 2.566 20 0 HFADHM COCCNC(=O)c1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1Cl ZINC000747211947 1078588422 /nfs/dbraw/zinc/58/84/22/1078588422.db2.gz UMIQKNKGXIIAQP-UHFFFAOYSA-N -1 3 406.870 2.896 20 0 HFADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000747211781 1078593893 /nfs/dbraw/zinc/59/38/93/1078593893.db2.gz MJRDVVXXXSNRMI-QGZVFWFLSA-N -1 3 402.470 2.556 20 0 HFADHM C[C@H](CC(=O)Nc1ccc(F)c([C@H](C)O)c1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000804802044 1078632910 /nfs/dbraw/zinc/63/29/10/1078632910.db2.gz DVULSQQSCJOOGP-MNOVXSKESA-N -1 3 415.874 2.623 20 0 HFADHM C[C@H]([N-]C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)c1c(F)cncc1F ZINC000804825852 1078664575 /nfs/dbraw/zinc/66/45/75/1078664575.db2.gz IBVYVCRHOYOAPK-NSHDSACASA-N -1 3 413.371 2.796 20 0 HFADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C)c1c(F)cncc1F ZINC000804826465 1078665764 /nfs/dbraw/zinc/66/57/64/1078665764.db2.gz XNLWZUOGOXHMHI-LLVKDONJSA-N -1 3 413.371 2.796 20 0 HFADHM O=C1[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCN1c1cccc(Cl)c1 ZINC000805029456 1078842561 /nfs/dbraw/zinc/84/25/61/1078842561.db2.gz QFKSPTGMHREOGL-CYBMUJFWSA-N -1 3 404.250 2.611 20 0 HFADHM O=C1[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCN1c1ccccc1Cl ZINC000804994298 1078845430 /nfs/dbraw/zinc/84/54/30/1078845430.db2.gz NUYOYTBTKJBHMD-GFCCVEGCSA-N -1 3 404.250 2.611 20 0 HFADHM CC(C)(C)OC(=O)N1CCCC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000805001740 1078847331 /nfs/dbraw/zinc/84/73/31/1078847331.db2.gz MMHAYUMRZAFOCO-LLVKDONJSA-N -1 3 407.895 2.942 20 0 HFADHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)c1ccccn1 ZINC000805009362 1078853718 /nfs/dbraw/zinc/85/37/18/1078853718.db2.gz ITMSQGSBCVTLTF-HNNXBMFYSA-N -1 3 404.460 2.754 20 0 HFADHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000805063932 1078874738 /nfs/dbraw/zinc/87/47/38/1078874738.db2.gz ZXEVPHWOPGLKLV-QMMMGPOBSA-N -1 3 413.361 2.989 20 0 HFADHM CN1CC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000805052229 1078866117 /nfs/dbraw/zinc/86/61/17/1078866117.db2.gz VGJSFHKDPLJZRI-CABCVRRESA-N -1 3 405.829 2.876 20 0 HFADHM CCOC(=O)N1CCC[C@H]([C@@H](C)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000805070701 1078879204 /nfs/dbraw/zinc/87/92/04/1078879204.db2.gz ZBPOWZAPHBKISJ-NEPJUHHUSA-N -1 3 409.430 2.636 20 0 HFADHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000805098078 1078885097 /nfs/dbraw/zinc/88/50/97/1078885097.db2.gz BRUQOXCNROXENE-UHFFFAOYSA-N -1 3 408.318 2.831 20 0 HFADHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000805086518 1078915708 /nfs/dbraw/zinc/91/57/08/1078915708.db2.gz BYHBANZERWQIBL-NHYWBVRUSA-N -1 3 420.915 2.635 20 0 HFADHM CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)OC(C)(C)C ZINC001130078866 1078916190 /nfs/dbraw/zinc/91/61/90/1078916190.db2.gz ZGWAPZJAKNBCBW-AWEZNQCLSA-N -1 3 416.515 2.753 20 0 HFADHM O=C([N-]Cc1ccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)o1)C(F)(F)F ZINC001130124245 1078974486 /nfs/dbraw/zinc/97/44/86/1078974486.db2.gz BDBDKHYEBOCTSS-WBVHZDCISA-N -1 3 421.419 2.805 20 0 HFADHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(C(=O)OC)c2)CC1 ZINC000747240833 1079037993 /nfs/dbraw/zinc/03/79/93/1079037993.db2.gz MQVBTYRZJFCGFO-UHFFFAOYSA-N -1 3 421.494 2.555 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCc3c2cnn3C)c(Cl)cc1Cl ZINC000747240569 1079042084 /nfs/dbraw/zinc/04/20/84/1079042084.db2.gz UAZDAAMCSSNYRY-ZDUSSCGKSA-N -1 3 418.302 2.869 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cccc(Br)c2)ccc1F ZINC000752580054 1079222083 /nfs/dbraw/zinc/22/20/83/1079222083.db2.gz OEXIUIFGUHYXQD-UHFFFAOYSA-N -1 3 402.241 2.853 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]CCc2c(C)noc2C)c(Cl)cc1Cl ZINC000747266780 1079229041 /nfs/dbraw/zinc/22/90/41/1079229041.db2.gz AWNGJUGHBBBBSB-UHFFFAOYSA-N -1 3 407.275 2.906 20 0 HFADHM COC[C@@H]([N-]S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1ccco1 ZINC000747284506 1079351086 /nfs/dbraw/zinc/35/10/86/1079351086.db2.gz TUUITYHVJYSGGI-GOSISDBHSA-N -1 3 422.503 2.688 20 0 HFADHM COC[C@H]([N-]S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)c1ccco1 ZINC000747283574 1079356825 /nfs/dbraw/zinc/35/68/25/1079356825.db2.gz JNSQQEVFFAKXEZ-ROUUACIJSA-N -1 3 422.503 2.688 20 0 HFADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]Cc1csc(N(C)C)n1 ZINC000747290940 1079389658 /nfs/dbraw/zinc/38/96/58/1079389658.db2.gz MOZJDHQQZSASFH-UHFFFAOYSA-N -1 3 424.317 2.598 20 0 HFADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@@H](C)[C@@H](C)OC)c2)c1 ZINC000787414297 1076798184 /nfs/dbraw/zinc/79/81/84/1076798184.db2.gz DPYRMZYSUFTNTQ-QWHCGFSZSA-N -1 3 402.447 2.815 20 0 HFADHM CN(C)[C@H](CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)c1ccc(Cl)cc1 ZINC000746697331 1076864392 /nfs/dbraw/zinc/86/43/92/1076864392.db2.gz SEGUVLODKQZMQC-QGZVFWFLSA-N -1 3 416.934 2.758 20 0 HFADHM C[C@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000746693159 1076871255 /nfs/dbraw/zinc/87/12/55/1076871255.db2.gz MPUUTTJHNASKFK-SUMWQHHRSA-N -1 3 413.927 2.677 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)ccc1F ZINC000787638822 1076892193 /nfs/dbraw/zinc/89/21/93/1076892193.db2.gz QQBAWXLUXHEIQE-UHFFFAOYSA-N -1 3 421.494 2.775 20 0 HFADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000787846858 1076963278 /nfs/dbraw/zinc/96/32/78/1076963278.db2.gz ADROVUUKILSPRR-LBPRGKRZSA-N -1 3 401.390 3.000 20 0 HFADHM O=C(CCCOc1ccc(I)cc1)[N-]OC[C@H]1CCOC1 ZINC000788116200 1077058249 /nfs/dbraw/zinc/05/82/49/1077058249.db2.gz NXHKSHSLDDSLBM-LBPRGKRZSA-N -1 3 405.232 2.535 20 0 HFADHM CCN(CC)S(=O)(=O)c1cc([N-]S(=O)(=O)C[C@H]2CCCOC2)ccc1Cl ZINC000788139205 1077063307 /nfs/dbraw/zinc/06/33/07/1077063307.db2.gz KKSSUBAUPIBXRR-ZDUSSCGKSA-N -1 3 424.972 2.539 20 0 HFADHM Cc1sc(Br)nc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000788282023 1077096842 /nfs/dbraw/zinc/09/68/42/1077096842.db2.gz QERBPQYWWKLKRO-UHFFFAOYSA-N -1 3 410.293 2.518 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c(C)c1Cl ZINC000788575713 1077210854 /nfs/dbraw/zinc/21/08/54/1077210854.db2.gz CQVFSSYZDILKDQ-UHFFFAOYSA-N -1 3 403.865 2.704 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCN(C)Cc2ccccc2)c(C)c1Cl ZINC000788599896 1077219181 /nfs/dbraw/zinc/21/91/81/1077219181.db2.gz DQQDIAKVBXVPOC-UHFFFAOYSA-N -1 3 416.952 2.907 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](C)N2CCC(C)CC2)c(C)c1Cl ZINC000788606335 1077221382 /nfs/dbraw/zinc/22/13/82/1077221382.db2.gz FWGQFOQZMMLHTH-NSHDSACASA-N -1 3 408.973 2.895 20 0 HFADHM CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788644496 1077223396 /nfs/dbraw/zinc/22/33/96/1077223396.db2.gz DJKQPOSPYZQBHQ-JTQLQIEISA-N -1 3 409.913 2.507 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2)c(C)c1Cl ZINC000788644518 1077223446 /nfs/dbraw/zinc/22/34/46/1077223446.db2.gz DUFQAMKYHKOUEI-LBPRGKRZSA-N -1 3 403.909 2.551 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCc2ccc3c(c2)CCO3)c(C)c1Cl ZINC000788628934 1077235765 /nfs/dbraw/zinc/23/57/65/1077235765.db2.gz YJUQHXVRGPQJRW-UHFFFAOYSA-N -1 3 415.920 2.952 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(C)cc2)c(C)c1Cl ZINC000788631840 1077237667 /nfs/dbraw/zinc/23/76/67/1077237667.db2.gz RZZVGWZSWWOBNH-GFCCVEGCSA-N -1 3 403.909 2.817 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](C)CC2(C)OCCO2)c(C)c1Cl ZINC000788634113 1077238938 /nfs/dbraw/zinc/23/89/38/1077238938.db2.gz KOOGRWUBGOGDBM-SECBINFHSA-N -1 3 411.929 2.564 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CO)[C@@H](C)c2ccccc2)c(C)c1Cl ZINC000788635028 1077239613 /nfs/dbraw/zinc/23/96/13/1077239613.db2.gz VHMSUWYNCSHJAZ-GXFFZTMASA-N -1 3 417.936 2.939 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCNc2cccc(C)n2)c(C)c1Cl ZINC000788641239 1077243542 /nfs/dbraw/zinc/24/35/42/1077243542.db2.gz OUIDVQGTTPHFAH-UHFFFAOYSA-N -1 3 403.913 2.590 20 0 HFADHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788644253 1077245037 /nfs/dbraw/zinc/24/50/37/1077245037.db2.gz AYNQMSYYLVOJCM-UHFFFAOYSA-N -1 3 411.929 2.897 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)CN2CCC[C@@H](C)C2)c(C)c1Cl ZINC000788677681 1077247341 /nfs/dbraw/zinc/24/73/41/1077247341.db2.gz VYUCHYFMQROOFI-MNOVXSKESA-N -1 3 408.973 2.895 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CO)Cc2ccc(C)cc2)c(C)c1Cl ZINC000788677847 1077247389 /nfs/dbraw/zinc/24/73/89/1077247389.db2.gz HXILCZUFOBUVEV-CYBMUJFWSA-N -1 3 417.936 2.687 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@]2(O)CCc3ccccc32)c(C)c1Cl ZINC000788654579 1077254531 /nfs/dbraw/zinc/25/45/31/1077254531.db2.gz QORWQGKEVOSDSH-KRWDZBQOSA-N -1 3 415.920 2.609 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](O)CCc2ccccc2)c(C)c1Cl ZINC000788665553 1077259831 /nfs/dbraw/zinc/25/98/31/1077259831.db2.gz SGCZFTXSRIJQSX-CYBMUJFWSA-N -1 3 417.936 2.769 20 0 HFADHM CCC[C@H](C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)OCC ZINC000788708487 1077266191 /nfs/dbraw/zinc/26/61/91/1077266191.db2.gz CYLSGOQEVANEME-SNVBAGLBSA-N -1 3 411.929 2.754 20 0 HFADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000788724383 1077272617 /nfs/dbraw/zinc/27/26/17/1077272617.db2.gz VYXYNIYZYWTECX-RDJZCZTQSA-N -1 3 412.895 2.558 20 0 HFADHM CCCN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)c2ccc(F)cc21 ZINC000791047511 1077282569 /nfs/dbraw/zinc/28/25/69/1077282569.db2.gz ZNHSTPWPRMABIT-UHFFFAOYSA-N -1 3 409.458 2.750 20 0 HFADHM COc1cc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)ccc1N1CCCC1=O ZINC000788736534 1077285635 /nfs/dbraw/zinc/28/56/35/1077285635.db2.gz IXOWOUOXCSVLLO-UHFFFAOYSA-N -1 3 400.456 2.997 20 0 HFADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCCc1cccc(Cl)c1Cl ZINC000788897292 1077343452 /nfs/dbraw/zinc/34/34/52/1077343452.db2.gz XFWZYEZPTCERHL-UHFFFAOYSA-N -1 3 407.275 2.662 20 0 HFADHM O=C1[C@H]([N-]S(=O)(=O)C2=Cc3ccccc3OC2)CCN1c1cccc(Cl)c1 ZINC000788898104 1077343830 /nfs/dbraw/zinc/34/38/30/1077343830.db2.gz JJAWIICWIBGKDT-QGZVFWFLSA-N -1 3 404.875 2.798 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)ccc1F ZINC000791209079 1077345121 /nfs/dbraw/zinc/34/51/21/1077345121.db2.gz VGLHLAHSPGHJAW-UHFFFAOYSA-N -1 3 418.805 2.565 20 0 HFADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cc(-c2nc[nH]n2)ccc1F ZINC000791279618 1077367848 /nfs/dbraw/zinc/36/78/48/1077367848.db2.gz ZNHZPQIPIOEQPO-UHFFFAOYSA-N -1 3 405.393 2.658 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)ccc1F ZINC000772727638 1077376589 /nfs/dbraw/zinc/37/65/89/1077376589.db2.gz CUJNLXDYMDJMAC-LSTHTHJFSA-N -1 3 402.491 2.971 20 0 HFADHM COCCCOC1(COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CCCC1 ZINC000791359810 1077393148 /nfs/dbraw/zinc/39/31/48/1077393148.db2.gz JDGQIMXPMFHTIT-UHFFFAOYSA-N -1 3 403.472 2.720 20 0 HFADHM CC(C)(C)OC(=O)Nc1ncccc1CC(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000791759200 1077555308 /nfs/dbraw/zinc/55/53/08/1077555308.db2.gz XJQGAJUPZKDTPJ-UHFFFAOYSA-N -1 3 419.459 2.532 20 0 HFADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000746848742 1077741883 /nfs/dbraw/zinc/74/18/83/1077741883.db2.gz VSHBSWLYKKUHCB-UHFFFAOYSA-N -1 3 415.453 2.536 20 0 HFADHM COCCOC(=O)c1sc2[n-]c(CN3CCC[C@@H]4CCC[C@H]43)nc(=O)c2c1C ZINC000772792403 1077772251 /nfs/dbraw/zinc/77/22/51/1077772251.db2.gz BGKIAOZYHVBJBJ-UONOGXRCSA-N -1 3 405.520 2.861 20 0 HFADHM Cc1ccc(CNC(=O)C2CCN(C(=O)c3nnc4ccccc4c3[O-])CC2)cc1 ZINC000746860693 1077811675 /nfs/dbraw/zinc/81/16/75/1077811675.db2.gz PRDVVYKPZWDECW-UHFFFAOYSA-N -1 3 404.470 2.812 20 0 HFADHM O=C(Nc1n[nH]c2cc(F)ccc21)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000789885907 1077836590 /nfs/dbraw/zinc/83/65/90/1077836590.db2.gz ASAXPJKMNNVNOY-UHFFFAOYSA-N -1 3 410.377 2.673 20 0 HFADHM COc1ncc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)cn1 ZINC000789868465 1077843889 /nfs/dbraw/zinc/84/38/89/1077843889.db2.gz OEXXGVROHQYXFV-UHFFFAOYSA-N -1 3 400.196 2.750 20 0 HFADHM O=C(COC(=O)c1cnc(Br)c(Cl)c1)[N-]C(=O)c1cccs1 ZINC000792600030 1077920868 /nfs/dbraw/zinc/92/08/68/1077920868.db2.gz WZLRXKKAYURSQA-UHFFFAOYSA-N -1 3 403.641 2.672 20 0 HFADHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1ccc3c(c1F)CCNC3=O)CC2 ZINC000790073220 1077922323 /nfs/dbraw/zinc/92/23/23/1077922323.db2.gz GIBZHRLZSMJTHG-UHFFFAOYSA-N -1 3 402.447 2.849 20 0 HFADHM O=C(COC(=O)c1cccc2nn[n-]c21)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000790075019 1077923835 /nfs/dbraw/zinc/92/38/35/1077923835.db2.gz IMEMIRRYNBVVJE-OAHLLOKOSA-N -1 3 405.370 2.679 20 0 HFADHM O=C(COC(=O)c1cccc2[n-]nnc21)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000790075019 1077923839 /nfs/dbraw/zinc/92/38/39/1077923839.db2.gz IMEMIRRYNBVVJE-OAHLLOKOSA-N -1 3 405.370 2.679 20 0 HFADHM O=C(COC(=O)c1cccc2n[n-]nc21)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000790075019 1077923841 /nfs/dbraw/zinc/92/38/41/1077923841.db2.gz IMEMIRRYNBVVJE-OAHLLOKOSA-N -1 3 405.370 2.679 20 0 HFADHM COc1cc(Cl)c(S(=O)(=O)NCC(C)(C)N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000792592030 1077926939 /nfs/dbraw/zinc/92/69/39/1077926939.db2.gz RREMEZCCZMKFNG-LBPRGKRZSA-N -1 3 418.943 2.836 20 0 HFADHM CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ncccc2[O-])[C@H]2CCCO[C@H]2C1(C)C ZINC000792613860 1077939215 /nfs/dbraw/zinc/93/92/15/1077939215.db2.gz VNRIXNDSLIVZTE-QSZISKGPSA-N -1 3 405.495 2.502 20 0 HFADHM CCO[C@@H](CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CCCC1 ZINC000746879456 1077946520 /nfs/dbraw/zinc/94/65/20/1077946520.db2.gz JYAFAMRWJFVHKJ-SFHVURJKSA-N -1 3 412.527 2.982 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3nc(C)n4ccccc34)c2)[n-]1 ZINC000790159095 1077962273 /nfs/dbraw/zinc/96/22/73/1077962273.db2.gz GJSYHIKYCLPVSN-UHFFFAOYSA-N -1 3 404.430 2.535 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3nc(C)n4ccccc34)c2)n[n-]1 ZINC000790159095 1077962275 /nfs/dbraw/zinc/96/22/75/1077962275.db2.gz GJSYHIKYCLPVSN-UHFFFAOYSA-N -1 3 404.430 2.535 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Cc3sc(=S)[nH]c3C)c2)[n-]1 ZINC000790160238 1077962741 /nfs/dbraw/zinc/96/27/41/1077962741.db2.gz OTHUCKDGWWNOPN-UHFFFAOYSA-N -1 3 417.516 2.561 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Cc3sc(=S)[nH]c3C)c2)n[n-]1 ZINC000790160238 1077962743 /nfs/dbraw/zinc/96/27/43/1077962743.db2.gz OTHUCKDGWWNOPN-UHFFFAOYSA-N -1 3 417.516 2.561 20 0 HFADHM CS(=O)(=O)CCn1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000746890793 1077995443 /nfs/dbraw/zinc/99/54/43/1077995443.db2.gz AOIUCCKGEQUHRS-UHFFFAOYSA-N -1 3 401.444 2.678 20 0 HFADHM CCO[C@@H](CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000772753089 1077995483 /nfs/dbraw/zinc/99/54/83/1077995483.db2.gz TZNXUUMIFRLENJ-SFHVURJKSA-N -1 3 406.479 2.774 20 0 HFADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)n[nH]1 ZINC000792782576 1078000347 /nfs/dbraw/zinc/00/03/47/1078000347.db2.gz GYPXQBULGYTDSL-GHMZBOCLSA-N -1 3 413.931 2.713 20 0 HFADHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)n[nH]1 ZINC000792782578 1078000398 /nfs/dbraw/zinc/00/03/98/1078000398.db2.gz GYPXQBULGYTDSL-QWRGUYRKSA-N -1 3 413.931 2.713 20 0 HFADHM CCOC(=O)c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C)[nH]c2=O)c1 ZINC000790402724 1078026635 /nfs/dbraw/zinc/02/66/35/1078026635.db2.gz HHAISJSQXAWIOI-UHFFFAOYSA-N -1 3 415.265 2.836 20 0 HFADHM CN1CC[C@@H](CNC(=O)N=c2ccnc3n(C)[n-]cc2-3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000806483923 1079770583 /nfs/dbraw/zinc/77/05/83/1079770583.db2.gz VQAWNMDPMFWXJG-SCLBCKFNSA-N -1 3 416.888 2.949 20 0 HFADHM COC(=O)CCc1nnc([N-]C(=O)c2cc(Br)ncc2Cl)s1 ZINC000806889684 1080086335 /nfs/dbraw/zinc/08/63/35/1080086335.db2.gz FFRSZNCZOTUCPI-UHFFFAOYSA-N -1 3 405.661 2.707 20 0 HFADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000747365138 1080166900 /nfs/dbraw/zinc/16/69/00/1080166900.db2.gz YFHFKZIFLAJAPQ-UHFFFAOYSA-N -1 3 418.881 2.992 20 0 HFADHM C[C@H]1CCN(C(=O)N[C@@H]2CN(C)Cc3ccccc32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000807028940 1080222634 /nfs/dbraw/zinc/22/26/34/1080222634.db2.gz ADNLVDOPNJYGFJ-CLROSIBMSA-N -1 3 412.456 2.660 20 0 HFADHM Cc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000747380204 1080414340 /nfs/dbraw/zinc/41/43/40/1080414340.db2.gz MUVIUPIAWLKMOP-UHFFFAOYSA-N -1 3 407.458 2.813 20 0 HFADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)Nc3ccnn3CC3CC3)c2)n1 ZINC000807474311 1080651973 /nfs/dbraw/zinc/65/19/73/1080651973.db2.gz HIEMLNQGJYDRPW-UHFFFAOYSA-N -1 3 406.446 2.595 20 0 HFADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C[C@@H](C)O1 ZINC000747406715 1080800735 /nfs/dbraw/zinc/80/07/35/1080800735.db2.gz IKJPSZZUKHFTEI-HUUCEWRRSA-N -1 3 404.488 2.872 20 0 HFADHM O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(=S)[n-]2)N1Cc1cccnc1 ZINC001164693015 719770807 /nfs/dbraw/zinc/77/08/07/719770807.db2.gz XCBWCSFOPMTDEN-RYUDHWBXSA-N -1 3 411.865 2.738 20 0 HFADHM O=C([O-])[C@H](NC(=O)NCCCCN1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000780443204 939122382 /nfs/dbraw/zinc/12/23/82/939122382.db2.gz XJAJKCNNWSRQIS-OAQYLSRUSA-N -1 3 416.566 2.922 20 0 HFADHM O=C([O-])[C@]1(NC(=O)c2ccn(-c3ccc(F)cc3)n2)CCCN(Cc2ccccc2)C1 ZINC001263627554 939827762 /nfs/dbraw/zinc/82/77/62/939827762.db2.gz PALNWQKNYDWCIW-QHCPKHFHSA-N -1 3 422.460 2.861 20 0 HFADHM O=C([O-])[C@@]1(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)CCCN(Cc2ccccc2)C1 ZINC001263627833 939828310 /nfs/dbraw/zinc/82/83/10/939828310.db2.gz YFZLSBBEAJTFMI-DENIHFKCSA-N -1 3 414.889 2.879 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)NOCc2ccc(C(F)(F)F)cc2)ccc1F ZINC000746922313 1078055717 /nfs/dbraw/zinc/05/57/17/1078055717.db2.gz QDOSYANTXWSVNT-UHFFFAOYSA-N -1 3 406.357 2.614 20 0 HFADHM O=C1CN(c2ccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cc2)CCN1 ZINC000790633295 1078069100 /nfs/dbraw/zinc/06/91/00/1078069100.db2.gz CAGFFDJPWIKICZ-UHFFFAOYSA-N -1 3 413.421 2.528 20 0 HFADHM O=S(=O)(/C=C/c1cccc(Br)c1)[N-]c1ccc(-n2cncn2)cn1 ZINC000790648957 1078093438 /nfs/dbraw/zinc/09/34/38/1078093438.db2.gz UZOZXQAPPADWDP-VOTSOKGWSA-N -1 3 406.265 2.837 20 0 HFADHM COCCOCCn1c(-c2ccc([O-])c(C(N)=O)c2)csc1=Nc1ccsc1 ZINC000790664244 1078096473 /nfs/dbraw/zinc/09/64/73/1078096473.db2.gz XTPOTIOUAWGHMK-UHFFFAOYSA-N -1 3 419.528 2.978 20 0 HFADHM Cn1cncc1CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000793249966 1078109928 /nfs/dbraw/zinc/10/99/28/1078109928.db2.gz LDVYDIYQZJQWJF-UHFFFAOYSA-N -1 3 403.435 2.760 20 0 HFADHM CSCCO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000794186915 1078382873 /nfs/dbraw/zinc/38/28/73/1078382873.db2.gz DYRFONNSYBRJFO-GFCCVEGCSA-N -1 3 419.316 2.851 20 0 HFADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000794211877 1078393853 /nfs/dbraw/zinc/39/38/53/1078393853.db2.gz YFXSOHSPULGAMV-ZYHUDNBSSA-N -1 3 412.421 2.569 20 0 HFADHM CC[C@]1(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)CCCN1C(=O)OC(C)(C)C ZINC000794211913 1078394029 /nfs/dbraw/zinc/39/40/29/1078394029.db2.gz YSPAWDZRYRBDST-OAQYLSRUSA-N -1 3 418.494 2.701 20 0 HFADHM Cc1cccc(N2CCN(CCCNC(=O)CSc3n[n-]c(=S)s3)CC2)c1 ZINC000747206866 1078505671 /nfs/dbraw/zinc/50/56/71/1078505671.db2.gz SODQFPCHOCUNIT-UHFFFAOYSA-N -1 3 423.633 2.556 20 0 HFADHM CCCN(CCN1CCCC1)C(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000804442585 1078508746 /nfs/dbraw/zinc/50/87/46/1078508746.db2.gz FPNFJSLZTVCGFA-UHFFFAOYSA-N -1 3 407.458 2.896 20 0 HFADHM CO[C@@](C)([C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 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COc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000772705053 1076910299 /nfs/dbraw/zinc/91/02/99/1076910299.db2.gz AAUVPLHLNUXCSQ-CYBMUJFWSA-N -1 3 404.257 2.609 20 0 HFADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787790628 1076947205 /nfs/dbraw/zinc/94/72/05/1076947205.db2.gz IKVFJTGXWGJSRQ-CYBMUJFWSA-N -1 3 415.494 2.681 20 0 HFADHM CC(C)(NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCOCC1 ZINC000787812793 1076951572 /nfs/dbraw/zinc/95/15/72/1076951572.db2.gz REXUCXQRANDLLS-UHFFFAOYSA-N -1 3 423.362 2.983 20 0 HFADHM Cc1cn(-c2c(F)cccc2F)nc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000787830695 1076956759 /nfs/dbraw/zinc/95/67/59/1076956759.db2.gz KJMNXWNECYYDKX-UHFFFAOYSA-N -1 3 405.382 2.634 20 0 HFADHM CCOC(=O)c1nnc(CNC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)[n-]1 ZINC000787906136 1076989499 /nfs/dbraw/zinc/98/94/99/1076989499.db2.gz MCEHIRBUQQQXBS-UHFFFAOYSA-N -1 3 404.348 2.996 20 0 HFADHM CCOC(=O)c1nnc(CNC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)[n-]1 ZINC000787907415 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409.515 2.855 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=S)NCCc3ccccc3)c2)n[n-]1 ZINC000788331546 1077104960 /nfs/dbraw/zinc/10/49/60/1077104960.db2.gz ICAUHBCKICQOMS-UHFFFAOYSA-N -1 3 409.515 2.855 20 0 HFADHM COc1c(C)c2c(c(O)c1C/C=C(/C)CCC(=O)[N-]OC[C@@H]1CCOC1)C(=O)OC2 ZINC000788573183 1077209973 /nfs/dbraw/zinc/20/99/73/1077209973.db2.gz YCRRXINGXIMYJQ-WGOVJSDKSA-N -1 3 419.474 2.733 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@H](C)C2)c(C)c1Cl ZINC000788597939 1077218272 /nfs/dbraw/zinc/21/82/72/1077218272.db2.gz XHFWJCRYIUDNOZ-QWRGUYRKSA-N -1 3 408.973 2.895 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2cn3c(cccc3C)n2)c(C)c1Cl ZINC000788618539 1077230865 /nfs/dbraw/zinc/23/08/65/1077230865.db2.gz IKGUPLBUDFANAH-UHFFFAOYSA-N -1 3 413.908 2.931 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CO)[C@@H](C)c2ccccc2)c(C)c1Cl ZINC000788635027 1077239582 /nfs/dbraw/zinc/23/95/82/1077239582.db2.gz VHMSUWYNCSHJAZ-GWCFXTLKSA-N -1 3 417.936 2.939 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H]2COC3(CCCCC3)O2)c(C)c1Cl ZINC000788661030 1077257427 /nfs/dbraw/zinc/25/74/27/1077257427.db2.gz HKLAAYYIYHJAQB-LLVKDONJSA-N -1 3 423.940 2.851 20 0 HFADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCN(c2ccccc2)C1 ZINC000788708510 1077267103 /nfs/dbraw/zinc/26/71/03/1077267103.db2.gz USSCMNVGTQQNTO-CQSZACIVSA-N -1 3 423.922 2.717 20 0 HFADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C(C)C)[C@@H](O)c2ccccc2)s1 ZINC000788721127 1077271594 /nfs/dbraw/zinc/27/15/94/1077271594.db2.gz MJDUMPCDGXZXIE-CVEARBPZSA-N -1 3 413.517 2.580 20 0 HFADHM Cc1nc(C)c(CC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)c(=O)[n-]1 ZINC000791038813 1077278994 /nfs/dbraw/zinc/27/89/94/1077278994.db2.gz OLYVRJOCYKOKIK-UHFFFAOYSA-N -1 3 418.538 2.981 20 0 HFADHM Cc1cc2n[nH]cc2cc1NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000791056105 1077285177 /nfs/dbraw/zinc/28/51/77/1077285177.db2.gz UJQLCWHBYBFMNX-UHFFFAOYSA-N -1 3 406.414 2.843 20 0 HFADHM COc1ccc2c(c1NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl)CCC2 ZINC000791119071 1077303880 /nfs/dbraw/zinc/30/38/80/1077303880.db2.gz JAOVSBYTLSLCSH-LBPRGKRZSA-N -1 3 423.922 2.928 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NC[C@@H]3CC3(Cl)Cl)c2)[n-]1 ZINC000788848825 1077319363 /nfs/dbraw/zinc/31/93/63/1077319363.db2.gz CAFYHIMIPVSJDQ-LBPRGKRZSA-N -1 3 412.277 2.641 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NC[C@@H]3CC3(Cl)Cl)c2)n[n-]1 ZINC000788848825 1077319368 /nfs/dbraw/zinc/31/93/68/1077319368.db2.gz CAFYHIMIPVSJDQ-LBPRGKRZSA-N -1 3 412.277 2.641 20 0 HFADHM COC(=O)[C@@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)c(Cl)c1 ZINC000791372427 1077385597 /nfs/dbraw/zinc/38/55/97/1077385597.db2.gz OVOBUAGUBSHODE-AWEZNQCLSA-N -1 3 408.193 2.948 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@@H]3CC[C@H](SC)C3)c2)[n-]1 ZINC000789043582 1077392741 /nfs/dbraw/zinc/39/27/41/1077392741.db2.gz GHHGAACLTYQGGP-CABCVRRESA-N -1 3 403.508 2.732 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@@H]3CC[C@H](SC)C3)c2)n[n-]1 ZINC000789043582 1077392747 /nfs/dbraw/zinc/39/27/47/1077392747.db2.gz GHHGAACLTYQGGP-CABCVRRESA-N -1 3 403.508 2.732 20 0 HFADHM C[C@@H](OC(=O)CNC(=O)c1ccc([O-])cc1)C(=O)c1ccccc1Br ZINC000789043415 1077392781 /nfs/dbraw/zinc/39/27/81/1077392781.db2.gz HKBRFXRVLKBOTI-LLVKDONJSA-N -1 3 406.232 2.699 20 0 HFADHM C[C@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)c1ccccc1C(F)(F)F ZINC000789074609 1077397379 /nfs/dbraw/zinc/39/73/79/1077397379.db2.gz ZTTGKIKFDGOVRL-IINYFYTJSA-N -1 3 409.426 2.784 20 0 HFADHM CCN(Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[n-]1)c1cccc(O)c1 ZINC000789464905 1077584336 /nfs/dbraw/zinc/58/43/36/1077584336.db2.gz QJKGWPPTGZIWRE-UHFFFAOYSA-N -1 3 417.487 2.828 20 0 HFADHM COc1ccccc1[C@@H](CNC(=O)NCc1ncccc1[O-])NC(=O)OC(C)(C)C ZINC000792038068 1077688793 /nfs/dbraw/zinc/68/87/93/1077688793.db2.gz IWBYQYWOQZAEEI-OAHLLOKOSA-N -1 3 416.478 2.861 20 0 HFADHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)ccnc2Br)c(F)c1 ZINC000789736214 1077743098 /nfs/dbraw/zinc/74/30/98/1077743098.db2.gz UVQSOLHUYQWZGU-UHFFFAOYSA-N -1 3 403.229 2.879 20 0 HFADHM COC(=O)c1cc(C)nc2nc(SCc3cnn(-c4ccccc4)n3)[n-]c(=O)c12 ZINC000747062481 1077792032 /nfs/dbraw/zinc/79/20/32/1077792032.db2.gz LZWIISFSWOPDEV-UHFFFAOYSA-N -1 3 408.443 2.698 20 0 HFADHM COc1nc(Br)ccc1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000789878236 1077832972 /nfs/dbraw/zinc/83/29/72/1077832972.db2.gz NOSSQLAHAYEUKU-UHFFFAOYSA-N -1 3 408.252 2.625 20 0 HFADHM CCCCOc1ccc(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000789850693 1077839001 /nfs/dbraw/zinc/83/90/01/1077839001.db2.gz HDUJLFCMIPJZAH-MRXNPFEDSA-N -1 3 408.495 2.937 20 0 HFADHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000789937862 1077859725 /nfs/dbraw/zinc/85/97/25/1077859725.db2.gz WXORZCLESKPPEQ-HNNXBMFYSA-N -1 3 421.504 2.619 20 0 HFADHM CCCCc1nc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)c(C(=O)OCC)[n-]1 ZINC000792553194 1077900678 /nfs/dbraw/zinc/90/06/78/1077900678.db2.gz IFJQAXCHIWNUMV-UHFFFAOYSA-N -1 3 414.384 2.748 20 0 HFADHM O=S(=O)(CCc1ccc2c(c1)CCO2)[N-]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000790027177 1077918895 /nfs/dbraw/zinc/91/88/95/1077918895.db2.gz SBEVITJEFAOFDP-SFHVURJKSA-N -1 3 415.433 2.534 20 0 HFADHM O=C([N-]c1nc(Cl)ccc1O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000790056987 1077934514 /nfs/dbraw/zinc/93/45/14/1077934514.db2.gz RQPGYDJHTIWOTH-UHFFFAOYSA-N -1 3 401.897 2.929 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(c2ccccc2)[C@H]2CCOC2)ccc1F ZINC000792607426 1077934769 /nfs/dbraw/zinc/93/47/69/1077934769.db2.gz VDGWJVMDUGHLCH-KRWDZBQOSA-N -1 3 406.479 2.948 20 0 HFADHM CCOC([O-])=NC(=S)Nc1ncccc1NCc1ccc(S(=O)(=O)CC)cc1 ZINC001170330321 1077944765 /nfs/dbraw/zinc/94/47/65/1077944765.db2.gz FNFPVWHXFVBZOT-UHFFFAOYSA-N -1 3 422.532 2.930 20 0 HFADHM CCOC(=O)N=C([S-])Nc1ncccc1NCc1ccc(S(=O)(=O)CC)cc1 ZINC001170330321 1077944768 /nfs/dbraw/zinc/94/47/68/1077944768.db2.gz FNFPVWHXFVBZOT-UHFFFAOYSA-N -1 3 422.532 2.930 20 0 HFADHM CCOC(=O)[N-]C(=S)Nc1ncccc1NCc1ccc(S(=O)(=O)CC)cc1 ZINC001170330321 1077944770 /nfs/dbraw/zinc/94/47/70/1077944770.db2.gz FNFPVWHXFVBZOT-UHFFFAOYSA-N -1 3 422.532 2.930 20 0 HFADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NCCC[C@@H](C)O)c(Cl)cc1Cl ZINC000790086418 1077944803 /nfs/dbraw/zinc/94/48/03/1077944803.db2.gz FXWLZUWTDLUNTD-LLVKDONJSA-N -1 3 411.351 2.819 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C[C@@H](O)c3cccc(F)c3)c2)[n-]1 ZINC000790159791 1077961973 /nfs/dbraw/zinc/96/19/73/1077961973.db2.gz KVPJYVUYTDDZBF-QGZVFWFLSA-N -1 3 412.421 2.527 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C[C@@H](O)c3cccc(F)c3)c2)n[n-]1 ZINC000790159791 1077961975 /nfs/dbraw/zinc/96/19/75/1077961975.db2.gz KVPJYVUYTDDZBF-QGZVFWFLSA-N -1 3 412.421 2.527 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3c(CC)nn(C)c3Cl)c2)[n-]1 ZINC000790160307 1077962753 /nfs/dbraw/zinc/96/27/53/1077962753.db2.gz QRTLXXVUXSRZQQ-UHFFFAOYSA-N -1 3 416.869 2.528 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3c(CC)nn(C)c3Cl)c2)n[n-]1 ZINC000790160307 1077962755 /nfs/dbraw/zinc/96/27/55/1077962755.db2.gz QRTLXXVUXSRZQQ-UHFFFAOYSA-N -1 3 416.869 2.528 20 0 HFADHM CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000792771672 1077998037 /nfs/dbraw/zinc/99/80/37/1077998037.db2.gz JBXGBJDZHRUELN-MLGOLLRUSA-N -1 3 424.346 2.814 20 0 HFADHM CCOC(=O)[C@@H](Cc1cccc2ccccc21)[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000792783516 1078000061 /nfs/dbraw/zinc/00/00/61/1078000061.db2.gz TXTCENCLQCAJLQ-OXJNMPFZSA-N -1 3 405.516 2.660 20 0 HFADHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)n[nH]1 ZINC000792783158 1078000105 /nfs/dbraw/zinc/00/01/05/1078000105.db2.gz KQYSJLHSCSKJLY-NXEZZACHSA-N -1 3 400.888 2.798 20 0 HFADHM CC(C)(C)OC(=O)NCCc1nc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000792888975 1078017753 /nfs/dbraw/zinc/01/77/53/1078017753.db2.gz LDBLEJMDIFDIFR-UHFFFAOYSA-N -1 3 415.479 2.643 20 0 HFADHM CC(C)(C)OC(=O)NCCc1nc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000792888975 1078017759 /nfs/dbraw/zinc/01/77/59/1078017759.db2.gz LDBLEJMDIFDIFR-UHFFFAOYSA-N -1 3 415.479 2.643 20 0 HFADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@@H]1N(C)CCCC1(C)C ZINC000790450815 1078035386 /nfs/dbraw/zinc/03/53/86/1078035386.db2.gz QBPLHBFJYVYMSX-AWEZNQCLSA-N -1 3 423.348 2.996 20 0 HFADHM COc1ccc([C@H](CN(C)C)[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000790484367 1078042286 /nfs/dbraw/zinc/04/22/86/1078042286.db2.gz SJLXKPBEAMMZOO-AWEZNQCLSA-N -1 3 404.319 2.978 20 0 HFADHM CN(Cc1ccco1)Cc1ccccc1CNC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806485784 1079771923 /nfs/dbraw/zinc/77/19/23/1079771923.db2.gz CKUODCVJDUGUTO-UHFFFAOYSA-N -1 3 404.474 2.889 20 0 HFADHM Cn1[n-]cc2c(=NC(=O)N3CCC[C@H](c4nc(-c5ccccc5)n[nH]4)C3)ccnc1-2 ZINC000806486891 1079772421 /nfs/dbraw/zinc/77/24/21/1079772421.db2.gz JODYMAGMMSKATR-HNNXBMFYSA-N -1 3 402.462 2.538 20 0 HFADHM Cn1[n-]cc2c(=NC(=O)N3CCC[C@H](c4nnc(-c5ccccc5)[nH]4)C3)ccnc1-2 ZINC000806486891 1079772426 /nfs/dbraw/zinc/77/24/26/1079772426.db2.gz JODYMAGMMSKATR-HNNXBMFYSA-N -1 3 402.462 2.538 20 0 HFADHM CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000806987414 1080200271 /nfs/dbraw/zinc/20/02/71/1080200271.db2.gz HEPXBINPZRVDSE-ZDUSSCGKSA-N -1 3 414.300 2.917 20 0 HFADHM O=c1cc(CN2CCC(NS(=O)(=O)c3cccs3)CC2)c2ccc([O-])cc2o1 ZINC000807218293 1080382229 /nfs/dbraw/zinc/38/22/29/1080382229.db2.gz MPFHOTQNLSUFQT-UHFFFAOYSA-N -1 3 420.512 2.503 20 0 HFADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000426721972 1126082381 /nfs/dbraw/zinc/08/23/81/1126082381.db2.gz UKMDUPKTJLOWON-OAHLLOKOSA-N -1 3 411.359 2.529 20 0 HFADHM COc1ccc(Br)cc1CN[C@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000426722243 1126082414 /nfs/dbraw/zinc/08/24/14/1126082414.db2.gz VPKAOLOEKFZJQG-LLVKDONJSA-N -1 3 422.201 2.916 20 0 HFADHM COc1ccc(CN[C@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])c(Br)c1O ZINC000426773610 1126089682 /nfs/dbraw/zinc/08/96/82/1126089682.db2.gz QACGBCKXSJQMRT-GFCCVEGCSA-N -1 3 424.247 2.678 20 0 HFADHM O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(=S)[n-]2)N1Cc1cccnc1 ZINC001164693007 719770387 /nfs/dbraw/zinc/77/03/87/719770387.db2.gz XCBWCSFOPMTDEN-NEPJUHHUSA-N -1 3 411.865 2.738 20 0 HFADHM CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]21 ZINC001164824892 720421137 /nfs/dbraw/zinc/42/11/37/720421137.db2.gz LUQUDNPHCDEWAB-WOPDTQHZSA-N -1 3 420.913 2.577 20 0 HFADHM CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(=S)[n-]4)C[C@H]32)N=C1C ZINC001164872757 721231388 /nfs/dbraw/zinc/23/13/88/721231388.db2.gz OAUXLWBNHLXLAO-LYOVBCGYSA-N -1 3 415.897 2.829 20 0 HFADHM CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(=S)[n-]4)C[C@H]32)N=C1C ZINC001164872751 721231677 /nfs/dbraw/zinc/23/16/77/721231677.db2.gz OAUXLWBNHLXLAO-GLKRBJQHSA-N -1 3 415.897 2.829 20 0 HFADHM O=C([O-])[C@]1(NC(=O)c2ccc(N3CCCC3=O)cc2)CCCN(Cc2ccccc2)C1 ZINC001123267411 939816809 /nfs/dbraw/zinc/81/68/09/939816809.db2.gz FNPHACHEITZGBV-DEOSSOPVSA-N -1 3 421.497 2.663 20 0 HFADHM O=C([O-])[C@@]1(NC(=O)c2ccn(-c3ccc(F)cc3)n2)CCCN(Cc2ccccc2)C1 ZINC001263627553 939827818 /nfs/dbraw/zinc/82/78/18/939827818.db2.gz PALNWQKNYDWCIW-HSZRJFAPSA-N -1 3 422.460 2.861 20 0 HFADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NCc3cccnc3F)cs2)c1 ZINC000794006128 1078360905 /nfs/dbraw/zinc/36/09/05/1078360905.db2.gz AUUUXQFAWJVDQA-UHFFFAOYSA-N -1 3 400.435 2.802 20 0 HFADHM C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)C1 ZINC000794199684 1078384019 /nfs/dbraw/zinc/38/40/19/1078384019.db2.gz IYPOWQYDIYYSBE-BLLLJJGKSA-N -1 3 418.494 2.557 20 0 HFADHM CCOc1cc2c(cc1/C=C\C(=O)Nc1cc3c(cc1[O-])n(C)c(=O)n3C)O[C@@H](C)C2 ZINC000794217148 1078395012 /nfs/dbraw/zinc/39/50/12/1078395012.db2.gz FDNNPWNFHRWJGE-FWWRYZNZSA-N -1 3 423.469 2.957 20 0 HFADHM Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@H](C)C2)c(=O)[n-]1 ZINC000804668724 1078501800 /nfs/dbraw/zinc/50/18/00/1078501800.db2.gz VWSPACSWCJFQIJ-WMLDXEAASA-N -1 3 404.511 2.591 20 0 HFADHM Cc1ccc2c(c1)CN(C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl)CCO2 ZINC000804531943 1078569680 /nfs/dbraw/zinc/56/96/80/1078569680.db2.gz VDPFVQYRDMJNDN-AWEZNQCLSA-N -1 3 423.922 2.522 20 0 HFADHM C[C@@H](CC(=O)N1CCC=C(c2ccncc2)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000804747356 1078581653 /nfs/dbraw/zinc/58/16/53/1078581653.db2.gz YERJAWHLAJWCKO-AWEZNQCLSA-N -1 3 420.922 2.503 20 0 HFADHM COC(=O)Nc1cccc(CNC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000804607585 1078651825 /nfs/dbraw/zinc/65/18/25/1078651825.db2.gz NCGXSEGHPSOABE-UHFFFAOYSA-N -1 3 421.457 2.568 20 0 HFADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(C)C[C@H](C)OC)c2)c1 ZINC000804839396 1078680121 /nfs/dbraw/zinc/68/01/21/1078680121.db2.gz GYRSAUWVXZYUEJ-ZDUSSCGKSA-N -1 3 402.447 2.769 20 0 HFADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001129732144 1078680444 /nfs/dbraw/zinc/68/04/44/1078680444.db2.gz GWPJFEMHZDJGPB-BUXKBTBVSA-N -1 3 402.430 2.591 20 0 HFADHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001129732144 1078680446 /nfs/dbraw/zinc/68/04/46/1078680446.db2.gz GWPJFEMHZDJGPB-BUXKBTBVSA-N -1 3 402.430 2.591 20 0 HFADHM Cc1noc([C@H]2CCCCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000804858713 1078727689 /nfs/dbraw/zinc/72/76/89/1078727689.db2.gz FFNJWXPQXNNCLQ-OAHLLOKOSA-N -1 3 410.471 2.571 20 0 HFADHM C[C@@H](Cc1ccco1)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000804909622 1078731316 /nfs/dbraw/zinc/73/13/16/1078731316.db2.gz VUAUGAXBDGXHHK-NSHDSACASA-N -1 3 420.318 2.795 20 0 HFADHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)s1 ZINC000805019272 1078830757 /nfs/dbraw/zinc/83/07/57/1078830757.db2.gz FVZIWUMJOGZSHV-FUXBKTLASA-N -1 3 424.331 2.809 20 0 HFADHM CC[C@](C)([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)c1nccs1 ZINC000805011782 1078855543 /nfs/dbraw/zinc/85/55/43/1078855543.db2.gz CLDCETIXELFLCS-AWEZNQCLSA-N -1 3 410.489 2.743 20 0 HFADHM COc1cccc([C@@H](O)C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC000805012652 1078856264 /nfs/dbraw/zinc/85/62/64/1078856264.db2.gz TUMOUNCUSMOXET-ZDUSSCGKSA-N -1 3 409.357 2.745 20 0 HFADHM CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)[C@H]1c1ccc(Cl)cc1 ZINC000805052781 1078865697 /nfs/dbraw/zinc/86/56/97/1078865697.db2.gz QZEQHODEZLLAAI-UKRRQHHQSA-N -1 3 418.277 2.778 20 0 HFADHM O=C1[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCN1c1ccc(F)c(Cl)c1 ZINC000805055917 1078868232 /nfs/dbraw/zinc/86/82/32/1078868232.db2.gz HDYOMTPMFLTKQR-ZDUSSCGKSA-N -1 3 422.240 2.750 20 0 HFADHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)[C@@H]1Oc1ccccc1 ZINC000805067101 1078878021 /nfs/dbraw/zinc/87/80/21/1078878021.db2.gz IVZMYQYRHYCWIT-OAGGEKHMSA-N -1 3 400.859 2.777 20 0 HFADHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000805074385 1078906915 /nfs/dbraw/zinc/90/69/15/1078906915.db2.gz JIBJYSPBDFVHPG-SECBINFHSA-N -1 3 409.398 2.938 20 0 HFADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCN1C(=O)OC(C)(C)C ZINC000805081204 1078912104 /nfs/dbraw/zinc/91/21/04/1078912104.db2.gz RREZYQSTTFUXBG-MNOVXSKESA-N -1 3 407.895 2.940 20 0 HFADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CC[C@H](O)c2ccc(Cl)c(Cl)c2)s1 ZINC000805078297 1078909661 /nfs/dbraw/zinc/90/96/61/1078909661.db2.gz MZAYSSAVCPQCNG-LBPRGKRZSA-N -1 3 424.331 2.810 20 0 HFADHM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)NC(=O)OC(C)(C)C ZINC000805084608 1078914416 /nfs/dbraw/zinc/91/44/16/1078914416.db2.gz ZZLHUWZCASXKEQ-SECBINFHSA-N -1 3 416.393 2.916 20 0 HFADHM Cc1cc(Cl)nc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)c1 ZINC000805090046 1078916577 /nfs/dbraw/zinc/91/65/77/1078916577.db2.gz KIFSPNJVPTVSNP-UHFFFAOYSA-N -1 3 410.851 2.518 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2nccc(C(F)F)n2)ccc1F ZINC000805324101 1079018778 /nfs/dbraw/zinc/01/87/78/1079018778.db2.gz WKRQBGNWXUEGMO-UHFFFAOYSA-N -1 3 416.425 2.560 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]CCN2CCCC[C@@H]2C)c(Cl)cc1Cl ZINC000747246199 1079102486 /nfs/dbraw/zinc/10/24/86/1079102486.db2.gz BYQJITGYLLSZEG-NSHDSACASA-N -1 3 409.335 2.933 20 0 HFADHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)OC ZINC000747252944 1079129621 /nfs/dbraw/zinc/12/96/21/1079129621.db2.gz HIMWTRBVDFLDNQ-SDBXPKJASA-N 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C[C@@H]1Oc2ccc(C(=O)COC(=O)CCCc3ccc([O-])c(F)c3)cc2NC1=O ZINC000787843521 1076960967 /nfs/dbraw/zinc/96/09/67/1076960967.db2.gz GEBQPNKNLZKAPP-LBPRGKRZSA-N -1 3 401.390 3.000 20 0 HFADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000787846933 1076962860 /nfs/dbraw/zinc/96/28/60/1076962860.db2.gz AZEXXTZBPDXIFX-CYBMUJFWSA-N -1 3 423.462 2.828 20 0 HFADHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)s1 ZINC000788075933 1077053675 /nfs/dbraw/zinc/05/36/75/1077053675.db2.gz VQVRFSDASZCLRB-LLVKDONJSA-N -1 3 402.460 2.902 20 0 HFADHM CC(C)(O)CO[N-]C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000788219990 1077081943 /nfs/dbraw/zinc/08/19/43/1077081943.db2.gz MNDVSPSRTQVMHT-UHFFFAOYSA-N -1 3 411.252 2.656 20 0 HFADHM O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)[N-]OC[C@H]1CCOC1 ZINC000788569239 1077208412 /nfs/dbraw/zinc/20/84/12/1077208412.db2.gz FYZMVODWQWKHGK-LBPRGKRZSA-N -1 3 423.560 2.983 20 0 HFADHM COc1ccc(C(=O)N2CCC[C@H](C(=O)[N-]OC[C@H]3CCOC3)C2)c2ccccc12 ZINC000788574600 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C=CC(=O)Nc1ccc(C(=O)NCc2cccc(-c3nnc(C(=O)OCC)[n-]3)c2)cc1 ZINC000791027377 1077275181 /nfs/dbraw/zinc/27/51/81/1077275181.db2.gz HFNXDCPEILXBRY-UHFFFAOYSA-N -1 3 419.441 2.703 20 0 HFADHM C=CC(=O)Nc1ccc(C(=O)NCc2cccc(-c3n[n-]c(C(=O)OCC)n3)c2)cc1 ZINC000791027377 1077275188 /nfs/dbraw/zinc/27/51/88/1077275188.db2.gz HFNXDCPEILXBRY-UHFFFAOYSA-N -1 3 419.441 2.703 20 0 HFADHM O=C(COc1cccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1)N1CCCC1 ZINC000788741333 1077286437 /nfs/dbraw/zinc/28/64/37/1077286437.db2.gz GDQVSDYOSOZFER-UHFFFAOYSA-N -1 3 414.483 2.863 20 0 HFADHM COc1ccc2c(c1NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl)CCC2 ZINC000791119069 1077303852 /nfs/dbraw/zinc/30/38/52/1077303852.db2.gz JAOVSBYTLSLCSH-GFCCVEGCSA-N -1 3 423.922 2.928 20 0 HFADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)s1 ZINC000788950082 1077359472 /nfs/dbraw/zinc/35/94/72/1077359472.db2.gz KKIUMQXVEHMXLP-CQSZACIVSA-N -1 3 422.528 2.544 20 0 HFADHM CC[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000772728324 1077362032 /nfs/dbraw/zinc/36/20/32/1077362032.db2.gz DJLLBWLDUASLSJ-SFHVURJKSA-N -1 3 422.522 2.926 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCc3ccc([C@H](C)O)cc3)c2)[n-]1 ZINC000788936348 1077369529 /nfs/dbraw/zinc/36/95/29/1077369529.db2.gz AQDUNFRASMWXKQ-AWEZNQCLSA-N -1 3 423.473 2.701 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NCc3ccc([C@H](C)O)cc3)c2)n[n-]1 ZINC000788936348 1077369535 /nfs/dbraw/zinc/36/95/35/1077369535.db2.gz AQDUNFRASMWXKQ-AWEZNQCLSA-N -1 3 423.473 2.701 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)ccc1F ZINC000772727646 1077374678 /nfs/dbraw/zinc/37/46/78/1077374678.db2.gz CUJNLXDYMDJMAC-PWIZWCRZSA-N -1 3 402.491 2.971 20 0 HFADHM COC(=O)[C@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1ccc(Br)cc1 ZINC000791348657 1077390090 /nfs/dbraw/zinc/39/00/90/1077390090.db2.gz SGIYKFFGMBDLAK-GFCCVEGCSA-N -1 3 406.223 2.720 20 0 HFADHM COc1cccc(C2=NO[C@H](C(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)C2)c1 ZINC000791544593 1077460453 /nfs/dbraw/zinc/46/04/53/1077460453.db2.gz PCWOYHKHXZLXMN-IBGZPJMESA-N -1 3 404.426 2.886 20 0 HFADHM Cc1cnn(CCOC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)c1 ZINC000791612622 1077487324 /nfs/dbraw/zinc/48/73/24/1077487324.db2.gz OLGAHLOHCNERHT-UHFFFAOYSA-N -1 3 418.302 2.796 20 0 HFADHM COCCOC(=O)c1sc2[n-]c(CN3C[C@H](C)C[C@@H](C)[C@H]3C)nc(=O)c2c1C ZINC000789449706 1077579142 /nfs/dbraw/zinc/57/91/42/1077579142.db2.gz IYQZWQCWZJIMRM-YRGRVCCFSA-N -1 3 407.536 2.963 20 0 HFADHM O=C(OC[C@H]1CCCS(=O)(=O)C1)c1n[n-]c(-c2ccccc2)c1Br ZINC000792039219 1077689305 /nfs/dbraw/zinc/68/93/05/1077689305.db2.gz KTKYLRAEWUSQTA-LLVKDONJSA-N -1 3 413.293 2.821 20 0 HFADHM COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000789692520 1077730789 /nfs/dbraw/zinc/73/07/89/1077730789.db2.gz LRODEERNJZDXCH-SFHVURJKSA-N -1 3 420.506 2.596 20 0 HFADHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)NC[C@@H]3CC[C@@H](O)C3)c2)c1 ZINC000789857089 1077840493 /nfs/dbraw/zinc/84/04/93/1077840493.db2.gz GDIJQQSDHPYSTN-CZUORRHYSA-N -1 3 414.458 2.553 20 0 HFADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@H](O)C2)c(Cl)cc1Cl ZINC000789859210 1077841156 /nfs/dbraw/zinc/84/11/56/1077841156.db2.gz WDOJTQBHDYOZHF-NEPJUHHUSA-N -1 3 423.362 2.819 20 0 HFADHM O=C(CCN1CCN(c2ccccc2)CC1)Nc1nc(Br)ccc1[O-] ZINC000789922560 1077848353 /nfs/dbraw/zinc/84/83/53/1077848353.db2.gz IHVCJBHMGQIQAO-UHFFFAOYSA-N -1 3 405.296 2.701 20 0 HFADHM C[C@@H](NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl)c1ccc(Cl)cn1 ZINC000792446745 1077853093 /nfs/dbraw/zinc/85/30/93/1077853093.db2.gz CXURWNGCIYMWPO-WDEREUQCSA-N -1 3 417.318 2.718 20 0 HFADHM C[C@@H](CC(=O)Nc1nccn1-c1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000792478545 1077875338 /nfs/dbraw/zinc/87/53/38/1077875338.db2.gz KUUNYDCUKASCNL-ZDUSSCGKSA-N -1 3 419.894 2.616 20 0 HFADHM CC(C)(C)OC(=O)N1CC(OCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C1 ZINC000792487992 1077879254 /nfs/dbraw/zinc/87/92/54/1077879254.db2.gz ZQZBSTOILZHICW-UHFFFAOYSA-N -1 3 413.434 2.792 20 0 HFADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000792532082 1077889229 /nfs/dbraw/zinc/88/92/29/1077889229.db2.gz CYFFLOMERYLFAO-SCZZXKLOSA-N -1 3 412.380 2.818 20 0 HFADHM COc1cc(Cl)c(S(=O)(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc1C(=O)[O-] ZINC000792591354 1077924991 /nfs/dbraw/zinc/92/49/91/1077924991.db2.gz LIERIUJLLSWUON-JHJVBQTASA-N -1 3 418.943 2.692 20 0 HFADHM C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCc3ncccc3[O-])ccc2Cl)C1 ZINC000792609561 1077935816 /nfs/dbraw/zinc/93/58/16/1077935816.db2.gz CHLYMMDSWQMASU-CYBMUJFWSA-N -1 3 423.922 2.791 20 0 HFADHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c(F)cc1F ZINC000757471069 1077951826 /nfs/dbraw/zinc/95/18/26/1077951826.db2.gz ASNYBXALJJYIOW-UHFFFAOYSA-N -1 3 419.789 2.992 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C=Cc3ccc4c(c3)OCO4)c2)[n-]1 ZINC000790160621 1077962283 /nfs/dbraw/zinc/96/22/83/1077962283.db2.gz UGTKFOKKFBOCMS-VQHVLOKHSA-N -1 3 420.425 2.707 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C=Cc3ccc4c(c3)OCO4)c2)n[n-]1 ZINC000790160621 1077962285 /nfs/dbraw/zinc/96/22/85/1077962285.db2.gz UGTKFOKKFBOCMS-VQHVLOKHSA-N -1 3 420.425 2.707 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C=Cc3ccc(OC)c(O)c3)c2)[n-]1 ZINC000790160185 1077962663 /nfs/dbraw/zinc/96/26/63/1077962663.db2.gz NCWYKGYBOPTPKJ-NTMALXAHSA-N -1 3 422.441 2.692 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C=Cc3ccc(OC)c(O)c3)c2)n[n-]1 ZINC000790160185 1077962664 /nfs/dbraw/zinc/96/26/64/1077962664.db2.gz NCWYKGYBOPTPKJ-NTMALXAHSA-N -1 3 422.441 2.692 20 0 HFADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2ccc(Cl)nc2C)CCCC1 ZINC000790239207 1077974267 /nfs/dbraw/zinc/97/42/67/1077974267.db2.gz PVPICRBIXYFQCC-UHFFFAOYSA-N -1 3 412.899 2.878 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cnc3n2CCCC3)c(Cl)cc1Cl ZINC000790456636 1078037467 /nfs/dbraw/zinc/03/74/67/1078037467.db2.gz MPLYVBPPZOMZKD-UHFFFAOYSA-N -1 3 418.302 2.791 20 0 HFADHM C[C@@H]1CN(Cc2ccc(CNC(=O)CSc3n[n-]c(=S)s3)cc2)C[C@H](C)O1 ZINC000747360213 1080055730 /nfs/dbraw/zinc/05/57/30/1080055730.db2.gz QAJMOTMAJCIHBU-BETUJISGSA-N -1 3 424.617 2.845 20 0 HFADHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000426721740 1126082375 /nfs/dbraw/zinc/08/23/75/1126082375.db2.gz SZAYDWLPHPJJBK-CQSZACIVSA-N -1 3 413.787 2.984 20 0 HFADHM COc1ccc(CN[C@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])c(Cl)c1OC ZINC000426745030 1126086303 /nfs/dbraw/zinc/08/63/03/1126086303.db2.gz SKADCGYAWBKPAG-MRXNPFEDSA-N -1 3 416.865 2.723 20 0 HFADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000426756234 1126087901 /nfs/dbraw/zinc/08/79/01/1126087901.db2.gz ITYSBXYGHSYOQI-NSHDSACASA-N -1 3 405.760 2.570 20 0 HFADHM Cn1c(CN[C@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])nc2ccc(Cl)cc21 ZINC001321114082 1126171289 /nfs/dbraw/zinc/17/12/89/1126171289.db2.gz SCOSAFQRMMWEHE-QGZVFWFLSA-N -1 3 410.865 2.593 20 0 HFADHM O=C([O-])[C@@H](NC(=O)NCCCCN1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000780443203 939122447 /nfs/dbraw/zinc/12/24/47/939122447.db2.gz XJAJKCNNWSRQIS-NRFANRHFSA-N -1 3 416.566 2.922 20 0 HFADHM O=C([O-])[C@]1(NC(=O)c2ccc3c(c2)OCCCO3)CCCN(Cc2ccccc2)C1 ZINC001123371707 939821695 /nfs/dbraw/zinc/82/16/95/939821695.db2.gz BNLKVNLHDDZVHQ-QHCPKHFHSA-N -1 3 410.470 2.697 20 0 HFADHM Cc1noc2nc(C)cc(C(=O)N[C@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)c12 ZINC001123372750 939822428 /nfs/dbraw/zinc/82/24/28/939822428.db2.gz SXASGUPCPRVBTJ-JOCHJYFZSA-N -1 3 408.458 2.689 20 0 HFADHM CO[C@@H]1CCOc2c(NC(=O)c3ccc(F)c(S(=O)(=O)[N-]C4CC4)c3)cccc21 ZINC000790608896 1078074310 /nfs/dbraw/zinc/07/43/10/1078074310.db2.gz HWFUTMRHHHVHNC-QGZVFWFLSA-N -1 3 420.462 2.989 20 0 HFADHM O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[N-]OCc1cccnc1 ZINC000746936402 1078082594 /nfs/dbraw/zinc/08/25/94/1078082594.db2.gz GKGXTMLJIQQDNM-UHFFFAOYSA-N -1 3 417.531 2.827 20 0 HFADHM COC[C@@H](Cn1c(-c2ccc([O-])c(C(N)=O)c2)csc1=Nc1ccsc1)OC ZINC000790674884 1078087378 /nfs/dbraw/zinc/08/73/78/1078087378.db2.gz ASUBJQOHQLUBPW-CQSZACIVSA-N -1 3 419.528 2.976 20 0 HFADHM O=C([N-][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(F)(F)C1CCOCC1 ZINC000790676925 1078087927 /nfs/dbraw/zinc/08/79/27/1078087927.db2.gz JOKPQNWYNHXDQQ-OAHLLOKOSA-N -1 3 418.387 2.962 20 0 HFADHM Cc1cc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)cc(N2CCN(C(C)C)CC2)c1 ZINC000790648278 1078093075 /nfs/dbraw/zinc/09/30/75/1078093075.db2.gz UTADQJARDHDNQM-UHFFFAOYSA-N -1 3 411.959 2.713 20 0 HFADHM O=S(=O)(/C=C\c1cccc(Br)c1)[N-]c1ccc(-n2cncn2)cn1 ZINC000790648956 1078093559 /nfs/dbraw/zinc/09/35/59/1078093559.db2.gz UZOZXQAPPADWDP-SREVYHEPSA-N -1 3 406.265 2.837 20 0 HFADHM NC(=O)c1cc(-c2csc(=Nc3ccsc3)n2CC(=O)NC2CC2)ccc1[O-] ZINC000790658989 1078095638 /nfs/dbraw/zinc/09/56/38/1078095638.db2.gz FGZZTHDSPUVTBJ-UHFFFAOYSA-N -1 3 414.512 2.594 20 0 HFADHM O=C(Nc1cc(I)ccc1[O-])[C@@H]1CC(c2cccnc2)=NO1 ZINC000790821885 1078156416 /nfs/dbraw/zinc/15/64/16/1078156416.db2.gz OBPCEDNPJXONIH-AWEZNQCLSA-N -1 3 409.183 2.524 20 0 HFADHM Cn1ccnc1N1CCC(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CC1 ZINC000793954300 1078346497 /nfs/dbraw/zinc/34/64/97/1078346497.db2.gz YHKYLCMMBCMIGG-UHFFFAOYSA-N -1 3 415.494 2.872 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)[n-]1 ZINC000793964390 1078348401 /nfs/dbraw/zinc/34/84/01/1078348401.db2.gz SVBNIFCOCGANRL-HNNXBMFYSA-N -1 3 400.435 2.574 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)c[n-]1 ZINC000793964390 1078348407 /nfs/dbraw/zinc/34/84/07/1078348407.db2.gz SVBNIFCOCGANRL-HNNXBMFYSA-N -1 3 400.435 2.574 20 0 HFADHM CO[C@@]1(C)CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CC1 ZINC000794181140 1078382181 /nfs/dbraw/zinc/38/21/81/1078382181.db2.gz OEXZLEQSZZASBX-IBGZPJMESA-N -1 3 400.516 2.934 20 0 HFADHM CSCCO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000794186916 1078382845 /nfs/dbraw/zinc/38/28/45/1078382845.db2.gz DYRFONNSYBRJFO-LBPRGKRZSA-N -1 3 419.316 2.851 20 0 HFADHM CSCCONC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1[O-] ZINC000794193172 1078383416 /nfs/dbraw/zinc/38/34/16/1078383416.db2.gz ZSLPSHATSDKSGZ-UHFFFAOYSA-N -1 3 400.456 2.521 20 0 HFADHM C=Cc1ccc(CCNC(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000794384291 1078432916 /nfs/dbraw/zinc/43/29/16/1078432916.db2.gz UGMDEHZSRDHLPC-CQSZACIVSA-N -1 3 407.923 2.794 20 0 HFADHM Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)c(=O)[n-]1 ZINC000804651847 1078480052 /nfs/dbraw/zinc/48/00/52/1078480052.db2.gz GDUYZCZXWOOJKI-QGZVFWFLSA-N -1 3 404.511 2.591 20 0 HFADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC000804577261 1078632000 /nfs/dbraw/zinc/63/20/00/1078632000.db2.gz UNIYBNJQNYPVJC-LLVKDONJSA-N -1 3 416.652 2.793 20 0 HFADHM CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001129729413 1078679180 /nfs/dbraw/zinc/67/91/80/1078679180.db2.gz XKODRLFIVQYYKL-UHFFFAOYSA-N -1 3 409.830 2.705 20 0 HFADHM CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001129729413 1078679183 /nfs/dbraw/zinc/67/91/83/1078679183.db2.gz XKODRLFIVQYYKL-UHFFFAOYSA-N -1 3 409.830 2.705 20 0 HFADHM Cc1cc2cc(CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c3cccnc3Cl)ccc2[nH]1 ZINC000804888718 1078746835 /nfs/dbraw/zinc/74/68/35/1078746835.db2.gz ZOEWETIZWPLARB-CYBMUJFWSA-N -1 3 420.922 2.898 20 0 HFADHM O=C(C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)OCc1ccccc1 ZINC000804937582 1078762661 /nfs/dbraw/zinc/76/26/61/1078762661.db2.gz PRYWVKRYJKUGDB-UHFFFAOYSA-N -1 3 407.341 2.746 20 0 HFADHM O=S(=O)([N-][C@@H](CO)c1cccc(Br)c1)c1cnc(Cl)c(F)c1 ZINC000805038688 1078856892 /nfs/dbraw/zinc/85/68/92/1078856892.db2.gz CCZSUAQJNVIHFY-LBPRGKRZSA-N -1 3 409.664 2.649 20 0 HFADHM O=S(=O)([N-][C@H](CO)c1ccc(Br)cc1)c1cnc(Cl)c(F)c1 ZINC000805052190 1078866028 /nfs/dbraw/zinc/86/60/28/1078866028.db2.gz GUFBNOBDHHLQTD-GFCCVEGCSA-N -1 3 409.664 2.649 20 0 HFADHM CCOC(=O)N1CCC[C@@H]([C@@H](C)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000805070710 1078879149 /nfs/dbraw/zinc/87/91/49/1078879149.db2.gz ZBPOWZAPHBKISJ-VXGBXAGGSA-N -1 3 409.430 2.636 20 0 HFADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(C(F)(F)F)cc2)s1 ZINC000805121642 1078904824 /nfs/dbraw/zinc/90/48/24/1078904824.db2.gz GWCRXUFBNMPKNL-LLVKDONJSA-N -1 3 409.407 2.565 20 0 HFADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805121890 1078921230 /nfs/dbraw/zinc/92/12/30/1078921230.db2.gz KWWBNTCLSABVPK-ZDUSSCGKSA-N -1 3 421.368 2.643 20 0 HFADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2nccn2-c2ccccc2)c1 ZINC000805128177 1078928498 /nfs/dbraw/zinc/92/84/98/1078928498.db2.gz KIOMHDJJSLBVHP-CYBMUJFWSA-N -1 3 403.435 2.838 20 0 HFADHM CCc1cccc(C(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)c1[O-] ZINC000805233056 1078975892 /nfs/dbraw/zinc/97/58/92/1078975892.db2.gz SCIQYHGGWKBTCZ-AWEZNQCLSA-N -1 3 414.458 2.515 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(OC)nc2)c(Cl)cc1Cl ZINC000747237823 1078997067 /nfs/dbraw/zinc/99/70/67/1078997067.db2.gz NIMGFLRNUZNMJM-UHFFFAOYSA-N -1 3 405.259 2.662 20 0 HFADHM COc1ccncc1COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000805402233 1079042205 /nfs/dbraw/zinc/04/22/05/1079042205.db2.gz YKJGFESCYCUOJY-UHFFFAOYSA-N -1 3 405.407 2.715 20 0 HFADHM C[C@H](OC(=O)c1cnn[n-]1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000805610289 1079174123 /nfs/dbraw/zinc/17/41/23/1079174123.db2.gz YWCJGVXRNASRSJ-MEDUHNTESA-N -1 3 413.821 2.974 20 0 HFADHM C[C@H](OC(=O)c1c[n-]nn1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000805610289 1079174128 /nfs/dbraw/zinc/17/41/28/1079174128.db2.gz YWCJGVXRNASRSJ-MEDUHNTESA-N -1 3 413.821 2.974 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C(=O)OC(C)(C)C)c(Cl)cc1Cl ZINC000747268341 1079257005 /nfs/dbraw/zinc/25/70/05/1079257005.db2.gz IIMCNKUDKQQVRP-QMMMGPOBSA-N -1 3 412.291 2.789 20 0 HFADHM CC1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)CCN(Cc2ccccc2)CC1 ZINC000805880596 1079319815 /nfs/dbraw/zinc/31/98/15/1079319815.db2.gz OKOJMFQSBZJKRY-UHFFFAOYSA-N -1 3 407.923 2.842 20 0 HFADHM COc1cccc(CS(=O)(=O)[N-]C(=O)C2(C)CCN(Cc3ccccc3)CC2)c1 ZINC000805916052 1079331964 /nfs/dbraw/zinc/33/19/64/1079331964.db2.gz UHYJGEFAXOCTRL-UHFFFAOYSA-N -1 3 416.543 2.944 20 0 HFADHM O=C(NCCc1ccc(F)c(F)c1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000787437649 1076811215 /nfs/dbraw/zinc/81/12/15/1076811215.db2.gz YKQYTXDMCSLMKZ-UHFFFAOYSA-N -1 3 416.396 2.656 20 0 HFADHM CC(C)(CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)N1CCc2ccccc2C1 ZINC000746680936 1076814283 /nfs/dbraw/zinc/81/42/83/1076814283.db2.gz GQZRTURTNNLTLQ-UHFFFAOYSA-N -1 3 422.554 2.638 20 0 HFADHM CC[C@H](CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)N1CCc2ccccc2C1 ZINC000746681911 1076815392 /nfs/dbraw/zinc/81/53/92/1076815392.db2.gz NUULFGXEIQILHI-GOSISDBHSA-N -1 3 422.554 2.638 20 0 HFADHM Cc1cnc(Cl)c(NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000787451519 1076816992 /nfs/dbraw/zinc/81/69/92/1076816992.db2.gz UZZAGZFQVOMHHU-UHFFFAOYSA-N -1 3 409.320 2.858 20 0 HFADHM Cc1ccc([C@H](CNC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)N2CCCC2)cc1 ZINC000746688514 1076854271 /nfs/dbraw/zinc/85/42/71/1076854271.db2.gz XPAXCUVQQBGKQM-FQEVSTJZSA-N -1 3 422.554 2.947 20 0 HFADHM CC(C)(NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C1CCOCC1 ZINC000787803356 1076950123 /nfs/dbraw/zinc/95/01/23/1076950123.db2.gz DAKSKHDYDBVVFQ-UHFFFAOYSA-N -1 3 409.483 2.890 20 0 HFADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000787847110 1076962920 /nfs/dbraw/zinc/96/29/20/1076962920.db2.gz XUIIMIQWWWRITL-UHFFFAOYSA-N -1 3 411.451 2.975 20 0 HFADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CCc1ccccc1OC(F)F ZINC000788075332 1077053394 /nfs/dbraw/zinc/05/33/94/1077053394.db2.gz RPNRUFJIAYKYTI-UHFFFAOYSA-N -1 3 420.821 2.644 20 0 HFADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NOC[C@@H]3CCOC3)c2)cc1 ZINC000788119671 1077058669 /nfs/dbraw/zinc/05/86/69/1077058669.db2.gz UATJVMDYSWKAKI-OAHLLOKOSA-N -1 3 420.487 2.502 20 0 HFADHM CN(C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(N4CCOC4=O)cc3)cccc21 ZINC000788490869 1077178840 /nfs/dbraw/zinc/17/88/40/1077178840.db2.gz LBTVIXXIHKUFRS-GOSISDBHSA-N -1 3 417.487 2.829 20 0 HFADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(CN3C(=O)CSC3=O)cc2)cc1 ZINC000788492661 1077180027 /nfs/dbraw/zinc/18/00/27/1077180027.db2.gz 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ZINC000788634363 1077238641 /nfs/dbraw/zinc/23/86/41/1077238641.db2.gz NAJQRUVVAARNMN-NSHDSACASA-N -1 3 407.872 2.648 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@](C)(O)c2cc(C)oc2C)c(C)c1Cl ZINC000788635171 1077239567 /nfs/dbraw/zinc/23/95/67/1077239567.db2.gz PTPMOPAWEZPZML-MRXNPFEDSA-N -1 3 421.924 2.892 20 0 HFADHM Cc1ccc(CN2CC[C@@H]([N-]S(=O)(=O)c3cnc(Cl)c(Cl)c3)C2=O)cc1 ZINC000790936288 1077240205 /nfs/dbraw/zinc/24/02/05/1077240205.db2.gz PMDJXTWCJQYXLI-OAHLLOKOSA-N -1 3 414.314 2.776 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H]2CSCCS2)c(C)c1Cl ZINC000788643484 1077245048 /nfs/dbraw/zinc/24/50/48/1077245048.db2.gz FNCQEDMTFMLFBT-MRVPVSSYSA-N -1 3 401.984 2.623 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)[C@H](O)Cc2ccccc2)c(C)c1Cl ZINC000788654023 1077253622 /nfs/dbraw/zinc/25/36/22/1077253622.db2.gz LOVZBHNJIOHNNC-DGCLKSJQSA-N -1 3 417.936 2.767 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C(C)(C)C(=O)NCC(C)(C)C)c(C)c1Cl ZINC000788655569 1077254755 /nfs/dbraw/zinc/25/47/55/1077254755.db2.gz ZVZQJNJUOPBNEA-UHFFFAOYSA-N -1 3 424.972 2.716 20 0 HFADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000788659454 1077257086 /nfs/dbraw/zinc/25/70/86/1077257086.db2.gz SPHNABMYFCUIEA-CALCHBBNSA-N -1 3 409.417 2.739 20 0 HFADHM C/C=C/C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)OCC ZINC000788669489 1077261547 /nfs/dbraw/zinc/26/15/47/1077261547.db2.gz NSULPFGHPHUKGU-DIECRNLCSA-N -1 3 424.302 2.956 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Nc3ccnn3CC3CC3)c2)[n-]1 ZINC000788671897 1077262481 /nfs/dbraw/zinc/26/24/81/1077262481.db2.gz KYARUDAVDGVMDN-UHFFFAOYSA-N -1 3 409.450 2.577 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Nc3ccnn3CC3CC3)c2)n[n-]1 ZINC000788671897 1077262485 /nfs/dbraw/zinc/26/24/85/1077262485.db2.gz KYARUDAVDGVMDN-UHFFFAOYSA-N -1 3 409.450 2.577 20 0 HFADHM CS(=O)(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000788743587 1077287551 /nfs/dbraw/zinc/28/75/51/1077287551.db2.gz VGWPGWCHWSJIBI-UHFFFAOYSA-N -1 3 414.892 2.887 20 0 HFADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)c1 ZINC000788843447 1077317316 /nfs/dbraw/zinc/31/73/16/1077317316.db2.gz SJZYTTFPEYCJMY-UHFFFAOYSA-N -1 3 417.531 2.724 20 0 HFADHM O=C(OCCc1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC000788944602 1077372739 /nfs/dbraw/zinc/37/27/39/1077372739.db2.gz RLMSNCZLSKODLS-UHFFFAOYSA-N -1 3 424.327 2.725 20 0 HFADHM O=C(OC[C@@H]1CC2(CCC2)C(=O)O1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000791326999 1077374977 /nfs/dbraw/zinc/37/49/77/1077374977.db2.gz QEEYHUODYCLOIR-LBPRGKRZSA-N -1 3 422.434 2.597 20 0 HFADHM CS(=O)(=O)CC[C@H](C(=O)OCc1noc(-c2ccccc2[O-])n1)c1ccccc1 ZINC000789115645 1077420044 /nfs/dbraw/zinc/42/00/44/1077420044.db2.gz RRDNTPYDCDZHIW-HNNXBMFYSA-N -1 3 416.455 2.704 20 0 HFADHM CS[C@H]1CCCCN(C(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)C1 ZINC000772732271 1077430555 /nfs/dbraw/zinc/43/05/55/1077430555.db2.gz DBELSCZWFLVNLX-STQMWFEESA-N -1 3 405.973 2.536 20 0 HFADHM CC(=O)OC1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)CC1 ZINC000780667594 1077471691 /nfs/dbraw/zinc/47/16/91/1077471691.db2.gz JYDKRTXHNCQHNF-OAQYLSRUSA-N -1 3 410.470 2.808 20 0 HFADHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3nc[nH]n3)ccc2C)cc1 ZINC000772779178 1077512038 /nfs/dbraw/zinc/51/20/38/1077512038.db2.gz ZLDYQNYSMQYHOL-UHFFFAOYSA-N -1 3 401.448 2.565 20 0 HFADHM Cc1cc(C)c(N2CC[C@@H](N3CCN(C(=O)c4ccccc4[O-])CC3)C2=O)c(C)c1 ZINC000789348970 1077512287 /nfs/dbraw/zinc/51/22/87/1077512287.db2.gz XSAJJIWUVBKZFL-HXUWFJFHSA-N -1 3 407.514 2.881 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCCO[C@@H]2CCCCO2)ccc1F ZINC000791689084 1077529103 /nfs/dbraw/zinc/52/91/03/1077529103.db2.gz GKTXTLBSJINPPU-MRXNPFEDSA-N -1 3 403.472 2.603 20 0 HFADHM COCCOC(=O)c1sc2[n-]c(CN3C[C@H](C)C[C@@H](C)[C@@H]3C)nc(=O)c2c1C ZINC000789449701 1077579116 /nfs/dbraw/zinc/57/91/16/1077579116.db2.gz IYQZWQCWZJIMRM-BZPMIXESSA-N -1 3 407.536 2.963 20 0 HFADHM CCN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)Cc3ccc(C)cc3C)cc2)CC1 ZINC000792058864 1077666533 /nfs/dbraw/zinc/66/65/33/1077666533.db2.gz HSJHXMVGXSQGOG-UHFFFAOYSA-N -1 3 415.559 2.705 20 0 HFADHM O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc([O-])c2ccccc2c1 ZINC000792163065 1077731555 /nfs/dbraw/zinc/73/15/55/1077731555.db2.gz GPANDEFVAPYFCI-UHFFFAOYSA-N -1 3 416.421 2.837 20 0 HFADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000789736250 1077743159 /nfs/dbraw/zinc/74/31/59/1077743159.db2.gz WPNHYDQKRXETJU-UHFFFAOYSA-N -1 3 401.286 2.501 20 0 HFADHM O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc([O-])c2ccccc2c1 ZINC000792218836 1077771460 /nfs/dbraw/zinc/77/14/60/1077771460.db2.gz YCHPFJIUDMJCIE-UHFFFAOYSA-N -1 3 402.394 2.589 20 0 HFADHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3c(C)ccnc3Br)ccc21 ZINC000789737437 1077771854 /nfs/dbraw/zinc/77/18/54/1077771854.db2.gz MQILLQCUKVAZFZ-UHFFFAOYSA-N -1 3 410.293 2.862 20 0 HFADHM COC[C@@](C)([N-]S(=O)(=O)c1ccc(C(=O)OC)c(C(F)(F)F)c1)C(F)(F)F ZINC000789740633 1077774808 /nfs/dbraw/zinc/77/48/08/1077774808.db2.gz QRJIBIWPQFPSHG-GFCCVEGCSA-N -1 3 423.331 2.738 20 0 HFADHM CC(=O)N1C[C@@H](C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)Oc2ccccc21 ZINC000792483520 1077877503 /nfs/dbraw/zinc/87/75/03/1077877503.db2.gz WZEILCGPDWLKCM-SFHVURJKSA-N -1 3 403.398 2.971 20 0 HFADHM CC(=O)N1C[C@@H](C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)Oc2ccccc21 ZINC000792483520 1077877505 /nfs/dbraw/zinc/87/75/05/1077877505.db2.gz WZEILCGPDWLKCM-SFHVURJKSA-N -1 3 403.398 2.971 20 0 HFADHM O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ncccc1[O-])OCc1ccccc1 ZINC000792612590 1077938710 /nfs/dbraw/zinc/93/87/10/1077938710.db2.gz MJOJRMXRPFCSCB-IBGZPJMESA-N -1 3 405.454 2.941 20 0 HFADHM O=C(NCc1ncccc1[O-])/C(=C\c1cccs1)n1nnnc1-c1ccccc1 ZINC000792613825 1077939218 /nfs/dbraw/zinc/93/92/18/1077939218.db2.gz STOMQWVOABJGOI-SFQUDFHCSA-N -1 3 404.455 2.817 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)ccc1F ZINC000790146006 1077956798 /nfs/dbraw/zinc/95/67/98/1077956798.db2.gz GWRVPEXHHKDNCD-AWEZNQCLSA-N -1 3 408.348 2.748 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C=Cc3ccc(OC)cc3)c2)[n-]1 ZINC000790159272 1077961891 /nfs/dbraw/zinc/96/18/91/1077961891.db2.gz IJDHKDVIMDISBL-XFXZXTDPSA-N -1 3 406.442 2.987 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C=Cc3ccc(OC)cc3)c2)n[n-]1 ZINC000790159272 1077961894 /nfs/dbraw/zinc/96/18/94/1077961894.db2.gz IJDHKDVIMDISBL-XFXZXTDPSA-N -1 3 406.442 2.987 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C3=NO[C@H](c4ccccc4)C3)c2)[n-]1 ZINC000790160574 1077962534 /nfs/dbraw/zinc/96/25/34/1077962534.db2.gz SAQRSRLRNXVXIX-SFHVURJKSA-N -1 3 419.441 2.782 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C3=NO[C@H](c4ccccc4)C3)c2)n[n-]1 ZINC000790160574 1077962536 /nfs/dbraw/zinc/96/25/36/1077962536.db2.gz SAQRSRLRNXVXIX-SFHVURJKSA-N -1 3 419.441 2.782 20 0 HFADHM C[C@@H](CC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000790221540 1077979637 /nfs/dbraw/zinc/97/96/37/1077979637.db2.gz BFEJKLLWWKKCIP-TUKIKUTGSA-N -1 3 411.886 2.603 20 0 HFADHM O=S(=O)(C[C@H]1CCCOC1)[N-]C1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000792760250 1077987786 /nfs/dbraw/zinc/98/77/86/1077987786.db2.gz CELHJTHLNWEXHL-JKSUJKDBSA-N -1 3 413.540 2.817 20 0 HFADHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)c1 ZINC000746891825 1077995983 /nfs/dbraw/zinc/99/59/83/1077995983.db2.gz KNLARTGRLFOWFR-BLLLJJGKSA-N -1 3 421.494 2.841 20 0 HFADHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)n[nH]1 ZINC000792783171 1078000299 /nfs/dbraw/zinc/00/02/99/1078000299.db2.gz KQYSJLHSCSKJLY-ZJUUUORDSA-N -1 3 400.888 2.798 20 0 HFADHM Nc1nc(Cl)cc(=N[N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)[nH]1 ZINC000790398329 1078025699 /nfs/dbraw/zinc/02/56/99/1078025699.db2.gz RERMERGSJXKJNG-UHFFFAOYSA-N -1 3 417.825 2.547 20 0 HFADHM CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2ncc(C(C)(C)O)s2)cc1 ZINC000792960326 1078036114 /nfs/dbraw/zinc/03/61/14/1078036114.db2.gz SQHXSUWNDKGJEG-UHFFFAOYSA-N -1 3 413.521 2.538 20 0 HFADHM O=C(Nc1cc(I)ccc1[O-])c1cnc(C2OCCO2)s1 ZINC000806815312 1080027817 /nfs/dbraw/zinc/02/78/17/1080027817.db2.gz ANTBCWYPFIIVMP-UHFFFAOYSA-N -1 3 418.212 2.751 20 0 HFADHM Cn1c2ccc([N-]S(=O)(=O)c3ccc(OC4CCCC4)cc3)cc2n(C)c1=O ZINC000747406976 1080799270 /nfs/dbraw/zinc/79/92/70/1080799270.db2.gz MBPUMGOULVBCDX-UHFFFAOYSA-N -1 3 401.488 2.999 20 0 HFADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)OC4)cc2)C[C@@H](C)O1 ZINC000747408097 1080805642 /nfs/dbraw/zinc/80/56/42/1080805642.db2.gz NYWHXHSDLIYCHX-ZIAGYGMSSA-N -1 3 402.472 2.771 20 0 HFADHM COc1cc(Br)ccc1CN[C@@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000426724386 1126082829 /nfs/dbraw/zinc/08/28/29/1126082829.db2.gz RXEBDBCDIYYPQW-NSHDSACASA-N -1 3 422.201 2.916 20 0 HFADHM COc1c(Br)cccc1CN[C@H](Cn1ccc(C(F)(F)F)n1)C(=O)[O-] ZINC000426750797 1126087268 /nfs/dbraw/zinc/08/72/68/1126087268.db2.gz QHMXYGBDDGMBLN-LLVKDONJSA-N -1 3 422.201 2.916 20 0 HFADHM O=C([O-])[C@H](Cc1cccc(Br)c1)NCc1cn(-c2ccccc2)nn1 ZINC000756388185 1126108858 /nfs/dbraw/zinc/10/88/58/1126108858.db2.gz YWUMFXNQMALMLZ-KRWDZBQOSA-N -1 3 401.264 2.815 20 0 HFADHM O=C([C@@H]1C[C@H]2OCC[C@H]2N(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C1)N1CCCC1 ZINC001164678352 719540479 /nfs/dbraw/zinc/54/04/79/719540479.db2.gz KIHOOSYMDNCUEI-IJLUTSLNSA-N -1 3 418.897 2.570 20 0 HFADHM CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164696466 719787711 /nfs/dbraw/zinc/78/77/11/719787711.db2.gz SNYLVQUWSPKGCI-UHFFFAOYSA-N -1 3 417.869 2.995 20 0 HFADHM CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]21 ZINC001164824888 720420937 /nfs/dbraw/zinc/42/09/37/720420937.db2.gz LUQUDNPHCDEWAB-IJLUTSLNSA-N -1 3 420.913 2.577 20 0 HFADHM O=C([O-])[C@@]1(NC(=O)COc2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1 ZINC001123371870 939821531 /nfs/dbraw/zinc/82/15/31/939821531.db2.gz DJBHFZIDBDCFIE-OAQYLSRUSA-N -1 3 402.878 2.954 20 0 HFADHM COCCOc1cccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1 ZINC001123372781 939823145 /nfs/dbraw/zinc/82/31/45/939823145.db2.gz USZUJHPNDSVKID-QHCPKHFHSA-N -1 3 412.486 2.561 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCO[C@@H](C)C3)cc2)c(C)cc1F ZINC000793393678 1078165548 /nfs/dbraw/zinc/16/55/48/1078165548.db2.gz GLPZTKNQMHQHMK-AWEZNQCLSA-N -1 3 422.478 2.947 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)OC)c2F)c(C)cc1F ZINC000793443056 1078172688 /nfs/dbraw/zinc/17/26/88/1078172688.db2.gz LBUQRSSXUIHVNT-UHFFFAOYSA-N -1 3 417.361 2.786 20 0 HFADHM CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C(C)(C)C ZINC000793468815 1078182533 /nfs/dbraw/zinc/18/25/33/1078182533.db2.gz MVVVXCXRYOIVHR-QWHCGFSZSA-N -1 3 423.476 2.843 20 0 HFADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)C[C@H]3CCCOC3)c2)cc1 ZINC000793512483 1078195887 /nfs/dbraw/zinc/19/58/87/1078195887.db2.gz MKNIZYLARYDFTC-QGZVFWFLSA-N -1 3 418.515 2.929 20 0 HFADHM O=C([N-]C[C@@H]1CCCN(CN2CC[C@H](CCc3ccccc3)C2=O)C1)C(F)(F)F ZINC000793518549 1078197918 /nfs/dbraw/zinc/19/79/18/1078197918.db2.gz GOBYFICPMMUBFD-ROUUACIJSA-N -1 3 411.468 2.816 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)C=Cc2cc(Br)c(O)c(OC)c2)[n-]1 ZINC000793963503 1078348265 /nfs/dbraw/zinc/34/82/65/1078348265.db2.gz JUONUGWGHVYNHK-SNAWJCMRSA-N -1 3 410.224 2.715 20 0 HFADHM CCOC(=O)c1nc(NC(=O)C=Cc2cc(Br)c(O)c(OC)c2)c[n-]1 ZINC000793963503 1078348268 /nfs/dbraw/zinc/34/82/68/1078348268.db2.gz JUONUGWGHVYNHK-SNAWJCMRSA-N -1 3 410.224 2.715 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)[n-]1 ZINC000793964026 1078348560 /nfs/dbraw/zinc/34/85/60/1078348560.db2.gz PNLVMNNKLXVNND-CQSZACIVSA-N -1 3 420.441 2.973 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)c[n-]1 ZINC000793964026 1078348563 /nfs/dbraw/zinc/34/85/63/1078348563.db2.gz PNLVMNNKLXVNND-CQSZACIVSA-N -1 3 420.441 2.973 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)[n-]1 ZINC000793965386 1078348701 /nfs/dbraw/zinc/34/87/01/1078348701.db2.gz XXVNUIICUQXBEF-OAHLLOKOSA-N -1 3 400.435 2.716 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@H]2CCCCN2C(=O)OCc2ccccc2)c[n-]1 ZINC000793965386 1078348706 /nfs/dbraw/zinc/34/87/06/1078348706.db2.gz XXVNUIICUQXBEF-OAHLLOKOSA-N -1 3 400.435 2.716 20 0 HFADHM Cn1c(=O)n(C)c2cc(NC(=O)Cc3cc(C(F)(F)F)cc(Cl)n3)c([O-])cc21 ZINC000794211299 1078393988 /nfs/dbraw/zinc/39/39/88/1078393988.db2.gz MZDILEJOOUZRSV-UHFFFAOYSA-N -1 3 414.771 2.831 20 0 HFADHM CCN1CCN(C(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)[C@H](C)C1 ZINC000804382186 1078440922 /nfs/dbraw/zinc/44/09/22/1078440922.db2.gz XJTWYJCQJZGKDV-LLVKDONJSA-N -1 3 420.362 2.600 20 0 HFADHM C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000804666421 1078475297 /nfs/dbraw/zinc/47/52/97/1078475297.db2.gz LFYTUWWQODRCPQ-HUUCEWRRSA-N -1 3 404.463 2.984 20 0 HFADHM CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)C1 ZINC001129488761 1078508717 /nfs/dbraw/zinc/50/87/17/1078508717.db2.gz YBXQBWXUMSRQOF-TZMCWYRMSA-N -1 3 419.444 2.517 20 0 HFADHM Cc1nc(C)c(CC(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@@H](C)C2)c(=O)[n-]1 ZINC000804668624 1078526983 /nfs/dbraw/zinc/52/69/83/1078526983.db2.gz VWSPACSWCJFQIJ-PBHICJAKSA-N -1 3 404.511 2.591 20 0 HFADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1S(=O)(=O)C(F)(F)F ZINC001129610102 1078580357 /nfs/dbraw/zinc/58/03/57/1078580357.db2.gz FBRBYMPOTLXGKG-UHFFFAOYSA-N -1 3 415.328 2.552 20 0 HFADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1S(=O)(=O)C(F)(F)F ZINC001129610102 1078580367 /nfs/dbraw/zinc/58/03/67/1078580367.db2.gz FBRBYMPOTLXGKG-UHFFFAOYSA-N -1 3 415.328 2.552 20 0 HFADHM CCc1cccc(C(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1[O-] ZINC000804761923 1078614967 /nfs/dbraw/zinc/61/49/67/1078614967.db2.gz ODGRQURPZAOPAJ-KRWDZBQOSA-N -1 3 403.523 2.722 20 0 HFADHM O=C([N-]c1nc(C2CCOCC2)cs1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000804818734 1078659797 /nfs/dbraw/zinc/65/97/97/1078659797.db2.gz WIYHCBXTYKBLHT-UHFFFAOYSA-N -1 3 411.505 2.667 20 0 HFADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C)c1c(F)cncc1F ZINC000804826466 1078665698 /nfs/dbraw/zinc/66/56/98/1078665698.db2.gz XNLWZUOGOXHMHI-NSHDSACASA-N -1 3 413.371 2.796 20 0 HFADHM CN1C(=O)C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)[C@@H]1c1cccc(Cl)c1 ZINC001129729547 1078679083 /nfs/dbraw/zinc/67/90/83/1078679083.db2.gz YYJYQQYTADMFEU-GUYCJALGSA-N -1 3 414.828 2.817 20 0 HFADHM CN1C(=O)C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)[C@@H]1c1cccc(Cl)c1 ZINC001129729547 1078679087 /nfs/dbraw/zinc/67/90/87/1078679087.db2.gz YYJYQQYTADMFEU-GUYCJALGSA-N -1 3 414.828 2.817 20 0 HFADHM COC1(c2ccccc2)CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)C1 ZINC000804915425 1078737039 /nfs/dbraw/zinc/73/70/39/1078737039.db2.gz VGJRHKWFOUYUPB-UHFFFAOYSA-N -1 3 406.479 2.510 20 0 HFADHM COc1ccc(C2(C[N-]S(=O)(=O)c3cnc(Cl)c(F)c3)CCOCC2)cc1 ZINC000804967569 1078804032 /nfs/dbraw/zinc/80/40/32/1078804032.db2.gz YHBKYCCIEWKREK-UHFFFAOYSA-N -1 3 414.886 2.909 20 0 HFADHM CC(C)(C)OC(=O)N(CC[N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CC1 ZINC000804984239 1078821327 /nfs/dbraw/zinc/82/13/27/1078821327.db2.gz DAFFRGNOQLBKHM-UHFFFAOYSA-N -1 3 409.430 2.778 20 0 HFADHM O=C1[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCN1c1ccc(Cl)cc1 ZINC000805013411 1078823491 /nfs/dbraw/zinc/82/34/91/1078823491.db2.gz VIBDYZVBXDOTQR-ZDUSSCGKSA-N -1 3 404.250 2.611 20 0 HFADHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000805016561 1078827828 /nfs/dbraw/zinc/82/78/28/1078827828.db2.gz GIZZGLBZUUFZTG-JTQLQIEISA-N -1 3 423.434 2.870 20 0 HFADHM Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3cccnc3C(F)(F)F)C2=O)cc1 ZINC000805017959 1078828210 /nfs/dbraw/zinc/82/82/10/1078828210.db2.gz UFKKECVNUWFZBZ-AWEZNQCLSA-N -1 3 413.421 2.883 20 0 HFADHM O=C(C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)OCc1ccccc1Cl ZINC000805003834 1078848350 /nfs/dbraw/zinc/84/83/50/1078848350.db2.gz VHPNZTXXQUUNBM-UHFFFAOYSA-N -1 3 408.785 2.776 20 0 HFADHM COc1cccc([C@H](O)C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC000805012651 1078856306 /nfs/dbraw/zinc/85/63/06/1078856306.db2.gz TUMOUNCUSMOXET-CYBMUJFWSA-N -1 3 409.357 2.745 20 0 HFADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@H](O)c2ccc(-c3ccccc3)cc2)s1 ZINC000805065581 1078876152 /nfs/dbraw/zinc/87/61/52/1078876152.db2.gz YTDLJRKQWQLZSX-KRWDZBQOSA-N -1 3 417.512 2.780 20 0 HFADHM CC(C)(C)OC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000805071916 1078879532 /nfs/dbraw/zinc/87/95/32/1078879532.db2.gz CIVYTWQGDXYJLL-LLVKDONJSA-N -1 3 407.895 2.942 20 0 HFADHM COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000805227451 1078973023 /nfs/dbraw/zinc/97/30/23/1078973023.db2.gz CHLMXGUQFIIRBQ-OAHLLOKOSA-N -1 3 414.458 2.569 20 0 HFADHM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000747234704 1078985199 /nfs/dbraw/zinc/98/51/99/1078985199.db2.gz UJTVRJHUNOYGJE-OEIFXAAASA-N -1 3 402.447 2.981 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccc3c2OCO3)c(Cl)cc1Cl ZINC000747253071 1079129227 /nfs/dbraw/zinc/12/92/27/1079129227.db2.gz KMQWMGMUFVOZJL-UHFFFAOYSA-N -1 3 418.254 2.987 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C(=O)OC(C)(C)C)c(Cl)cc1Cl ZINC000747268340 1079256389 /nfs/dbraw/zinc/25/63/89/1079256389.db2.gz IIMCNKUDKQQVRP-MRVPVSSYSA-N -1 3 412.291 2.789 20 0 HFADHM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(CN3CCCC3)c2)cc1N(C)C ZINC000805897932 1079326173 /nfs/dbraw/zinc/32/61/73/1079326173.db2.gz UXIAEDHEFSPPJP-UHFFFAOYSA-N -1 3 401.532 2.776 20 0 HFADHM COC[C@H]([N-]S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)c1ccco1 ZINC000747283572 1079356928 /nfs/dbraw/zinc/35/69/28/1079356928.db2.gz JNSQQEVFFAKXEZ-MSOLQXFVSA-N -1 3 422.503 2.688 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)ccc1F ZINC001130536430 1079473491 /nfs/dbraw/zinc/47/34/91/1079473491.db2.gz FEJATSBHXUZPPZ-WMZOPIPTSA-N -1 3 412.527 2.980 20 0 HFADHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCCC2(C1)OCCO2 ZINC000772699630 1076789014 /nfs/dbraw/zinc/78/90/14/1076789014.db2.gz CBEJWFHZVPBCCY-UHFFFAOYSA-N -1 3 420.462 2.606 20 0 HFADHM COc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000772705056 1076911202 /nfs/dbraw/zinc/91/12/02/1076911202.db2.gz AAUVPLHLNUXCSQ-ZDUSSCGKSA-N -1 3 404.257 2.609 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2nc(-c3ccccc3F)cs2)ccc1F ZINC000787842920 1076960948 /nfs/dbraw/zinc/96/09/48/1076960948.db2.gz HFYAHGLHLIJMPL-UHFFFAOYSA-N -1 3 423.466 2.926 20 0 HFADHM Cn1c2nnc(COC(=O)CCCc3ccc([O-])c(F)c3)n2c2ccsc2c1=O ZINC000787844387 1076961545 /nfs/dbraw/zinc/96/15/45/1076961545.db2.gz KFVQDUBWHBQRNV-UHFFFAOYSA-N -1 3 416.434 2.554 20 0 HFADHM O=C(CCCc1ccc([O-])c(F)c1)OCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000787844757 1076962436 /nfs/dbraw/zinc/96/24/36/1076962436.db2.gz MIIPTFJXMLTJLP-UHFFFAOYSA-N -1 3 418.440 2.885 20 0 HFADHM O=C([N-]OC[C@H]1CCOC1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000788116397 1077058120 /nfs/dbraw/zinc/05/81/20/1077058120.db2.gz ADPXFQSQBKOPNB-JSGCOSHPSA-N -1 3 401.290 2.930 20 0 HFADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)c3nccn3C)ccc2C)cc1 ZINC000788199047 1077077744 /nfs/dbraw/zinc/07/77/44/1077077744.db2.gz FBRANVYFIRVOES-UHFFFAOYSA-N -1 3 414.487 2.815 20 0 HFADHM O=C(CN1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1)NCc1ccccc1 ZINC000788270334 1077094497 /nfs/dbraw/zinc/09/44/97/1077094497.db2.gz HQVKNAWQTQGWIC-UHFFFAOYSA-N -1 3 409.511 2.681 20 0 HFADHM Cn1nccc1[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000788387851 1077139264 /nfs/dbraw/zinc/13/92/64/1077139264.db2.gz OHCLOIQQCDTTJM-GOSISDBHSA-N -1 3 403.435 2.877 20 0 HFADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3C(=O)CNC3=O)c2)cc1C(C)C ZINC000788485337 1077177203 /nfs/dbraw/zinc/17/72/03/1077177203.db2.gz SAMNPRHAKFYUCX-UHFFFAOYSA-N -1 3 417.487 2.984 20 0 HFADHM COc1nnc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)[n-]1 ZINC000788523619 1077191240 /nfs/dbraw/zinc/19/12/40/1077191240.db2.gz QFICYQVCUYBUJD-NSHDSACASA-N -1 3 410.862 2.765 20 0 HFADHM COc1nc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)n[n-]1 ZINC000788523619 1077191242 /nfs/dbraw/zinc/19/12/42/1077191242.db2.gz QFICYQVCUYBUJD-NSHDSACASA-N -1 3 410.862 2.765 20 0 HFADHM COc1n[n-]c(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)n1 ZINC000788523619 1077191245 /nfs/dbraw/zinc/19/12/45/1077191245.db2.gz QFICYQVCUYBUJD-NSHDSACASA-N -1 3 410.862 2.765 20 0 HFADHM COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)[N-]OC[C@H]1CCOC1)C(=O)OC2 ZINC000788573178 1077209889 /nfs/dbraw/zinc/20/98/89/1077209889.db2.gz YCRRXINGXIMYJQ-IEWBSGLLSA-N -1 3 419.474 2.733 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCCc2nc(C(C)C)no2)c(C)c1Cl ZINC000788604605 1077220958 /nfs/dbraw/zinc/22/09/58/1077220958.db2.gz DVBSBVFVHPRURN-UHFFFAOYSA-N -1 3 421.928 2.914 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CCCc3nc(C)ncc32)c(C)c1Cl ZINC000788623231 1077232492 /nfs/dbraw/zinc/23/24/92/1077232492.db2.gz BOPYIKKIILAANH-GFCCVEGCSA-N -1 3 415.924 2.951 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CO)[C@H](C)c2ccccc2)c(C)c1Cl ZINC000788635029 1077239587 /nfs/dbraw/zinc/23/95/87/1077239587.db2.gz VHMSUWYNCSHJAZ-MFKMUULPSA-N -1 3 417.936 2.939 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CO)[C@H](C)c2ccccc2)c(C)c1Cl ZINC000788635030 1077239589 /nfs/dbraw/zinc/23/95/89/1077239589.db2.gz VHMSUWYNCSHJAZ-ZWNOBZJWSA-N -1 3 417.936 2.939 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)CN2CCC[C@H](C)C2)c(C)c1Cl ZINC000788677683 1077247360 /nfs/dbraw/zinc/24/73/60/1077247360.db2.gz VYUCHYFMQROOFI-WDEREUQCSA-N -1 3 408.973 2.895 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](c2ccnn2C)C(C)C)c(C)c1Cl ZINC000788677784 1077247369 /nfs/dbraw/zinc/24/73/69/1077247369.db2.gz FSPOAPAJJBCODN-NSHDSACASA-N -1 3 419.956 2.948 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2cn3cccc(C)c3n2)c(C)c1Cl ZINC000788658123 1077255374 /nfs/dbraw/zinc/25/53/74/1077255374.db2.gz TXQHZACCZGJEBK-UHFFFAOYSA-N -1 3 413.908 2.931 20 0 HFADHM CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)Nc2cc(Br)ccc2[O-])=NO1 ZINC000788662565 1077258643 /nfs/dbraw/zinc/25/86/43/1077258643.db2.gz XMXJKAMNXAIVNX-JTQLQIEISA-N -1 3 414.256 2.763 20 0 HFADHM C/C=C/C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)OCC ZINC000788669488 1077261630 /nfs/dbraw/zinc/26/16/30/1077261630.db2.gz NSULPFGHPHUKGU-BPJJOFIESA-N -1 3 424.302 2.956 20 0 HFADHM CCC[C@@H](C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)OCC ZINC000788708486 1077266075 /nfs/dbraw/zinc/26/60/75/1077266075.db2.gz CYLSGOQEVANEME-JTQLQIEISA-N -1 3 411.929 2.754 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@](C)(O)C2CCCCC2)ccc1F ZINC000791066898 1077287744 /nfs/dbraw/zinc/28/77/44/1077287744.db2.gz LUMPMUBZKPRPHU-IBGZPJMESA-N -1 3 400.516 2.574 20 0 HFADHM CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc3c(cc2[O-])OCO3)cn1 ZINC000791143152 1077306731 /nfs/dbraw/zinc/30/67/31/1077306731.db2.gz OOEGQVKYXSSZKA-IBGZPJMESA-N -1 3 409.442 2.713 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(C)(C)C)C2)ccc1F ZINC000791156766 1077311446 /nfs/dbraw/zinc/31/14/46/1077311446.db2.gz VDOOYLWJVDEROD-MRXNPFEDSA-N -1 3 400.516 2.790 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCCSC(F)(F)F)c2)[n-]1 ZINC000788881697 1077328594 /nfs/dbraw/zinc/32/85/94/1077328594.db2.gz KTJGCBLOARTOMJ-UHFFFAOYSA-N -1 3 417.413 2.701 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NCCSC(F)(F)F)c2)n[n-]1 ZINC000788881697 1077328599 /nfs/dbraw/zinc/32/85/99/1077328599.db2.gz KTJGCBLOARTOMJ-UHFFFAOYSA-N -1 3 417.413 2.701 20 0 HFADHM Cc1ccc(C(=O)N2CCn3c(nnc3-c3cncc(Br)c3)C2)c([O-])c1 ZINC000791179823 1077329895 /nfs/dbraw/zinc/32/98/95/1077329895.db2.gz DVKCJQCWENONFU-UHFFFAOYSA-N -1 3 414.263 2.773 20 0 HFADHM C[C@@H](CC(=O)NCc1ccc(C2CC2)cc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000791183825 1077331000 /nfs/dbraw/zinc/33/10/00/1077331000.db2.gz NARRZCMYIVSOTO-ZDUSSCGKSA-N -1 3 407.923 2.986 20 0 HFADHM O=C1[C@H]([N-]S(=O)(=O)C2=Cc3ccccc3OC2)CCN1c1ccc(Cl)cc1 ZINC000788898795 1077344597 /nfs/dbraw/zinc/34/45/97/1077344597.db2.gz CKJNOBRPICCVDM-QGZVFWFLSA-N -1 3 404.875 2.798 20 0 HFADHM COc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2nccn2C)c([O-])c1 ZINC000791298274 1077361426 /nfs/dbraw/zinc/36/14/26/1077361426.db2.gz DHFXRJOCRPLXNV-INIZCTEOSA-N -1 3 416.478 2.569 20 0 HFADHM Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2nccn2C)c([O-])c1 ZINC000791303462 1077365228 /nfs/dbraw/zinc/36/52/28/1077365228.db2.gz QYJSVLJETSOWDL-MRXNPFEDSA-N -1 3 400.479 2.868 20 0 HFADHM O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000772728507 1077373052 /nfs/dbraw/zinc/37/30/52/1077373052.db2.gz ICHLNZJVBKASAO-JNAXZKDPSA-N -1 3 418.465 2.864 20 0 HFADHM COC(=O)[C@H](OC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000791373767 1077385666 /nfs/dbraw/zinc/38/56/66/1077385666.db2.gz ZPWSNYHVAYIJLH-MRXNPFEDSA-N -1 3 412.225 2.886 20 0 HFADHM O=C(O[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000789048362 1077400845 /nfs/dbraw/zinc/40/08/45/1077400845.db2.gz WELTVTSXWJCOHI-HNNXBMFYSA-N -1 3 419.220 2.839 20 0 HFADHM CCOC(=O)CCC(=O)COC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000791420191 1077404696 /nfs/dbraw/zinc/40/46/96/1077404696.db2.gz WUXGCVDCQMHJDU-UHFFFAOYSA-N -1 3 409.236 2.908 20 0 HFADHM CC[C@@H](C)n1ncc(NC(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c1C ZINC000791572948 1077466735 /nfs/dbraw/zinc/46/67/35/1077466735.db2.gz AEQMVANYVGYFJR-NWDGAFQWSA-N -1 3 413.931 2.907 20 0 HFADHM CS[C@@H]1CCCCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000772736498 1077542496 /nfs/dbraw/zinc/54/24/96/1077542496.db2.gz XDDGMCKCWBQHQH-GFCCVEGCSA-N -1 3 404.504 2.763 20 0 HFADHM CC(C)(C)OC(=O)NCc1ccc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1 ZINC000792149132 1077723331 /nfs/dbraw/zinc/72/33/31/1077723331.db2.gz WKPRXYWAUWWYGA-UHFFFAOYSA-N -1 3 418.471 2.886 20 0 HFADHM O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000789949423 1077864579 /nfs/dbraw/zinc/86/45/79/1077864579.db2.gz IJFPPLKPLWULQY-KRWDZBQOSA-N -1 3 404.898 2.605 20 0 HFADHM O=S(=O)([N-]N=c1[nH]cc(C(F)(F)F)cc1Cl)c1cnn(CC(F)F)c1 ZINC000790048943 1077929216 /nfs/dbraw/zinc/92/92/16/1077929216.db2.gz BSODGZUGWRSCMG-UHFFFAOYSA-N -1 3 405.736 2.521 20 0 HFADHM O=C(c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)N1CC([C@@H]2CCOC2)C1 ZINC000792616602 1077929589 /nfs/dbraw/zinc/92/95/89/1077929589.db2.gz XYGMZAHGZPKMJE-SNVBAGLBSA-N -1 3 419.330 2.543 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C[C@@](C)(O)c3ccccc3)c2)[n-]1 ZINC000790156900 1077960892 /nfs/dbraw/zinc/96/08/92/1077960892.db2.gz AKWURXHXTFZUDP-JOCHJYFZSA-N -1 3 408.458 2.562 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C[C@@](C)(O)c3ccccc3)c2)n[n-]1 ZINC000790156900 1077960894 /nfs/dbraw/zinc/96/08/94/1077960894.db2.gz AKWURXHXTFZUDP-JOCHJYFZSA-N -1 3 408.458 2.562 20 0 HFADHM O=S(=O)([N-]CCc1nnc2ccccn21)c1cccc(Br)c1Cl ZINC000790225170 1077980333 /nfs/dbraw/zinc/98/03/33/1077980333.db2.gz LKHCJFDTXMDYEF-UHFFFAOYSA-N -1 3 415.700 2.666 20 0 HFADHM O=C(N[C@@H](c1ccco1)c1ccccc1)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000792803438 1077996305 /nfs/dbraw/zinc/99/63/05/1077996305.db2.gz KVCIKUBGPZOXKY-HXUWFJFHSA-N -1 3 405.385 2.986 20 0 HFADHM O=C(N[C@@H](c1ccco1)c1ccccc1)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC000792803438 1077996307 /nfs/dbraw/zinc/99/63/07/1077996307.db2.gz KVCIKUBGPZOXKY-HXUWFJFHSA-N -1 3 405.385 2.986 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCc2ccc3c[nH]nc3c2)c(C)c1Cl ZINC000790385268 1078011248 /nfs/dbraw/zinc/01/12/48/1078011248.db2.gz RDTXTYWDWUVWCI-UHFFFAOYSA-N -1 3 413.908 2.894 20 0 HFADHM Cc1cc(NC(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)sn1 ZINC000806327099 1079599438 /nfs/dbraw/zinc/59/94/38/1079599438.db2.gz AYELTAYGKALNPR-UHFFFAOYSA-N -1 3 409.320 2.858 20 0 HFADHM O=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Nc1cccc(F)n1 ZINC000806429445 1079675971 /nfs/dbraw/zinc/67/59/71/1079675971.db2.gz UPPKRFKQCYUHRD-UHFFFAOYSA-N -1 3 407.254 2.628 20 0 HFADHM Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)ccnc1-2 ZINC000806490713 1079741943 /nfs/dbraw/zinc/74/19/43/1079741943.db2.gz KSSDBHSAYBTGNO-OAHLLOKOSA-N -1 3 418.423 2.757 20 0 HFADHM Cc1ccc(-c2nc(NC(=O)[C@H](c3cnn(C)c3)N(C)C(=O)OC(C)(C)C)n[n-]2)o1 ZINC000807080886 1080260897 /nfs/dbraw/zinc/26/08/97/1080260897.db2.gz JBPLPSNWQGLLDW-AWEZNQCLSA-N -1 3 415.454 2.653 20 0 HFADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000807105122 1080284899 /nfs/dbraw/zinc/28/48/99/1080284899.db2.gz UELRKJHMXRCURK-DNVCBOLYSA-N -1 3 414.408 2.771 20 0 HFADHM Cc1cc(C(=O)N(CCN(C)C)CC(C)C)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000747381885 1080390008 /nfs/dbraw/zinc/39/00/08/1080390008.db2.gz YNXTZLOABCOTHE-UHFFFAOYSA-N -1 3 409.474 2.916 20 0 HFADHM C[C@@H]([N-]C(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1)C(F)(F)F ZINC000807541618 1080757655 /nfs/dbraw/zinc/75/76/55/1080757655.db2.gz RDNIUGXGSFBYOK-SCSAIBSYSA-N -1 3 408.096 2.868 20 0 HFADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(S(C)(=O)=O)c3)cc2)C[C@@H](C)O1 ZINC000747408021 1080811602 /nfs/dbraw/zinc/81/16/02/1080811602.db2.gz LUQXBXKNPGKHTE-HUUCEWRRSA-N -1 3 424.544 2.505 20 0 HFADHM COc1cc(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc(Cl)c1OC ZINC000426728991 1126083826 /nfs/dbraw/zinc/08/38/26/1126083826.db2.gz ZCEUGTGUUMHUNZ-LLVKDONJSA-N -1 3 407.776 2.816 20 0 HFADHM O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)NCc1sccc1Br ZINC000426744564 1126086085 /nfs/dbraw/zinc/08/60/85/1126086085.db2.gz DCAANGJECCZZAV-AWEZNQCLSA-N -1 3 407.293 2.877 20 0 HFADHM O=C1CCCN1[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C[C@@H]2CCCO[C@@H]12 ZINC001164649817 719304217 /nfs/dbraw/zinc/30/42/17/719304217.db2.gz HMWZRDQRLRUNEA-FIXISWKDSA-N -1 3 418.897 2.570 20 0 HFADHM O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001164966687 722064907 /nfs/dbraw/zinc/06/49/07/722064907.db2.gz WQRSJBZXWMLJQK-VHSXEESVSA-N -1 3 417.894 2.914 20 0 HFADHM O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001164966685 722065035 /nfs/dbraw/zinc/06/50/35/722065035.db2.gz WQRSJBZXWMLJQK-NXEZZACHSA-N -1 3 417.894 2.914 20 0 HFADHM Cc1nc(CSCC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cs1 ZINC001263627796 939827776 /nfs/dbraw/zinc/82/77/76/939827776.db2.gz XJZZUSQYEGGEOL-FQEVSTJZSA-N -1 3 419.572 2.920 20 0 HFADHM O=C([O-])[C@]1(NC(=O)c2cccc(-n3cccn3)c2)CCCN(Cc2ccccc2)C1 ZINC001263627784 939828124 /nfs/dbraw/zinc/82/81/24/939828124.db2.gz WRAKJGKBVHOZRQ-QHCPKHFHSA-N -1 3 404.470 2.722 20 0 HFADHM CNS(=O)(=O)c1ccc(CCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000746923378 1078057528 /nfs/dbraw/zinc/05/75/28/1078057528.db2.gz OQFJWHPEPPZKKG-UHFFFAOYSA-N -1 3 416.421 2.794 20 0 HFADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(F)c(S(C)(=O)=O)c3)c2)n1 ZINC000793156675 1078092488 /nfs/dbraw/zinc/09/24/88/1078092488.db2.gz BZFZUHAHNWWDCJ-UHFFFAOYSA-N -1 3 402.403 2.919 20 0 HFADHM CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCCC1 ZINC000793468572 1078182623 /nfs/dbraw/zinc/18/26/23/1078182623.db2.gz MPTWWPGAICECPE-CYBMUJFWSA-N -1 3 421.460 2.741 20 0 HFADHM O=C([N-]CC1CCN(CN2CC[C@H](CCc3ccccc3)C2=O)CC1)C(F)(F)F ZINC000793515436 1078197350 /nfs/dbraw/zinc/19/73/50/1078197350.db2.gz JLUGCRPIACXRBW-SFHVURJKSA-N -1 3 411.468 2.816 20 0 HFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3N(C(=O)OC(C)(C)C)CC3(C)C)nc21 ZINC000793695720 1078271918 /nfs/dbraw/zinc/27/19/18/1078271918.db2.gz OECXFIBJICVXJA-AWEZNQCLSA-N -1 3 402.451 2.934 20 0 HFADHM CCOC(=O)c1cc(NC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)[n-]n1 ZINC000793780189 1078309871 /nfs/dbraw/zinc/30/98/71/1078309871.db2.gz PNSXHKKXXWRFDP-FQEVSTJZSA-N -1 3 400.435 2.574 20 0 HFADHM CCOC(=O)c1cc(NC(=O)[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)n[n-]1 ZINC000793780189 1078309874 /nfs/dbraw/zinc/30/98/74/1078309874.db2.gz PNSXHKKXXWRFDP-FQEVSTJZSA-N -1 3 400.435 2.574 20 0 HFADHM Cc1noc(C(C)C)c1C(=O)[N-]c1n[nH]c(CNC(=O)c2c(C)noc2C(C)C)n1 ZINC000747152806 1078325244 /nfs/dbraw/zinc/32/52/44/1078325244.db2.gz GWMZEIPZYIMMBN-UHFFFAOYSA-N -1 3 415.454 2.827 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)[n-]1 ZINC000793963270 1078348434 /nfs/dbraw/zinc/34/84/34/1078348434.db2.gz JAQJPTUONSCTEO-FQEVSTJZSA-N -1 3 402.451 2.965 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)c[n-]1 ZINC000793963270 1078348439 /nfs/dbraw/zinc/34/84/39/1078348439.db2.gz JAQJPTUONSCTEO-FQEVSTJZSA-N -1 3 402.451 2.965 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]c2cccnc2Br)c(C)cc1F ZINC000794024791 1078363119 /nfs/dbraw/zinc/36/31/19/1078363119.db2.gz CBQMALYVYXNIJX-UHFFFAOYSA-N -1 3 403.229 2.879 20 0 HFADHM O=C(NC[C@H]1CCCN(C(=O)c2cc3c(cc2[O-])OCO3)C1)OCc1ccccc1 ZINC000794035997 1078371105 /nfs/dbraw/zinc/37/11/05/1078371105.db2.gz ZOLFMVFSAISKQI-MRXNPFEDSA-N -1 3 412.442 2.900 20 0 HFADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC000794107685 1078372911 /nfs/dbraw/zinc/37/29/11/1078372911.db2.gz YCXUXRMFZHSTEQ-UHFFFAOYSA-N -1 3 411.393 2.899 20 0 HFADHM COc1cc(C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc(OC)c1[O-] ZINC000794222541 1078386606 /nfs/dbraw/zinc/38/66/06/1078386606.db2.gz JBOMRUPFGTVTBO-JOCHJYFZSA-N -1 3 414.458 2.940 20 0 HFADHM CCOc1cc2c(cc1/C=C/C(=O)Nc1cc3c(cc1[O-])n(C)c(=O)n3C)O[C@H](C)C2 ZINC000794217150 1078394973 /nfs/dbraw/zinc/39/49/73/1078394973.db2.gz FDNNPWNFHRWJGE-KTRBRXNASA-N -1 3 423.469 2.957 20 0 HFADHM CCOC([O-])=NC(=S)Nc1ncccc1NC1CCN(CC(F)(F)F)CC1 ZINC001170447359 1078437463 /nfs/dbraw/zinc/43/74/63/1078437463.db2.gz DHIGTVPJTOQQFU-UHFFFAOYSA-N -1 3 405.446 2.963 20 0 HFADHM CCOC(=O)N=C([S-])Nc1ncccc1NC1CCN(CC(F)(F)F)CC1 ZINC001170447359 1078437466 /nfs/dbraw/zinc/43/74/66/1078437466.db2.gz DHIGTVPJTOQQFU-UHFFFAOYSA-N -1 3 405.446 2.963 20 0 HFADHM CCOC(=O)[N-]C(=S)Nc1ncccc1NC1CCN(CC(F)(F)F)CC1 ZINC001170447359 1078437469 /nfs/dbraw/zinc/43/74/69/1078437469.db2.gz DHIGTVPJTOQQFU-UHFFFAOYSA-N -1 3 405.446 2.963 20 0 HFADHM CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000804652897 1078482018 /nfs/dbraw/zinc/48/20/18/1078482018.db2.gz LHEJXWBMCKIIGY-OAHLLOKOSA-N -1 3 404.463 2.984 20 0 HFADHM CO[C@](C)([C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC001129850197 1078532758 /nfs/dbraw/zinc/53/27/58/1078532758.db2.gz BSRVVLOZEOIXLZ-CWTRNNRKSA-N -1 3 400.516 2.836 20 0 HFADHM CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)ccc1F ZINC001129639692 1078617355 /nfs/dbraw/zinc/61/73/55/1078617355.db2.gz RDHXLVCRXMKKEV-UHFFFAOYSA-N -1 3 422.482 2.529 20 0 HFADHM O=C(Cc1cccc(I)c1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129728093 1078678110 /nfs/dbraw/zinc/67/81/10/1078678110.db2.gz KHXUBWAUBGEKHC-UHFFFAOYSA-N -1 3 423.189 2.792 20 0 HFADHM O=C(Cc1cccc(I)c1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129728093 1078678113 /nfs/dbraw/zinc/67/81/13/1078678113.db2.gz KHXUBWAUBGEKHC-UHFFFAOYSA-N -1 3 423.189 2.792 20 0 HFADHM CCN(CC)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000804938907 1078763072 /nfs/dbraw/zinc/76/30/72/1078763072.db2.gz DOVUYBIDMVYPTH-INIZCTEOSA-N -1 3 413.902 2.632 20 0 HFADHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000804985928 1078821655 /nfs/dbraw/zinc/82/16/55/1078821655.db2.gz CVQXGGRXMYNQSQ-CYBMUJFWSA-N -1 3 417.455 2.712 20 0 HFADHM CC(C)(C)OC(=O)N1CCCC[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000805001741 1078847510 /nfs/dbraw/zinc/84/75/10/1078847510.db2.gz MMHAYUMRZAFOCO-NSHDSACASA-N -1 3 407.895 2.942 20 0 HFADHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000805063931 1078874646 /nfs/dbraw/zinc/87/46/46/1078874646.db2.gz ZXEVPHWOPGLKLV-MRVPVSSYSA-N -1 3 413.361 2.989 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]CCSC(C)C)c(Br)cc1F ZINC000805105251 1078889293 /nfs/dbraw/zinc/88/92/93/1078889293.db2.gz OMQQINJCRCTFAA-UHFFFAOYSA-N -1 3 414.318 2.795 20 0 HFADHM CSCC[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000805135789 1078932338 /nfs/dbraw/zinc/93/23/38/1078932338.db2.gz YEXRMFRLBUNHJK-JTQLQIEISA-N -1 3 414.380 2.713 20 0 HFADHM CCc1cccc(C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)c1[O-] ZINC000805233057 1078975833 /nfs/dbraw/zinc/97/58/33/1078975833.db2.gz SCIQYHGGWKBTCZ-CQSZACIVSA-N -1 3 414.458 2.515 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N(C)C)c(Cl)cc1Cl ZINC000747235151 1078980847 /nfs/dbraw/zinc/98/08/47/1078980847.db2.gz KEPPICJRWRUOPE-ZDUSSCGKSA-N -1 3 421.302 2.954 20 0 HFADHM C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1nncn1C ZINC000805540837 1079130506 /nfs/dbraw/zinc/13/05/06/1079130506.db2.gz YSYYHVCYVBPTPN-GFCCVEGCSA-N -1 3 404.423 2.673 20 0 HFADHM CC[C@@]([N-]S(=O)(=O)c1ccc(/C=C/C(=O)OC)cc1)(C(=O)OC)c1ccccc1 ZINC000747267373 1079245477 /nfs/dbraw/zinc/24/54/77/1079245477.db2.gz JUFMBVYDRJGQDF-NKSQBSFPSA-N -1 3 417.483 2.630 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]CCN(C)CC(F)(F)F)c(Cl)cc1Cl ZINC000747268836 1079251368 /nfs/dbraw/zinc/25/13/68/1079251368.db2.gz VXADJTDCFCRIHV-UHFFFAOYSA-N -1 3 423.240 2.552 20 0 HFADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000747284011 1079355444 /nfs/dbraw/zinc/35/54/44/1079355444.db2.gz MGZCNQYMMHDBQV-INIZCTEOSA-N -1 3 414.886 2.847 20 0 HFADHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2cccc(Br)n2)ccc1F ZINC000805987632 1079367950 /nfs/dbraw/zinc/36/79/50/1079367950.db2.gz ICWKIJSJHKITEN-UHFFFAOYSA-N -1 3 403.229 2.712 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)ccc1F ZINC001130536427 1079473032 /nfs/dbraw/zinc/47/30/32/1079473032.db2.gz FEJATSBHXUZPPZ-AEFFLSMTSA-N -1 3 412.527 2.980 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)ccc1F ZINC001130536428 1079473083 /nfs/dbraw/zinc/47/30/83/1079473083.db2.gz FEJATSBHXUZPPZ-FUHWJXTLSA-N -1 3 412.527 2.980 20 0 HFADHM CCN(CC)[C@@H](CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)c1ccsc1 ZINC000746686291 1076821125 /nfs/dbraw/zinc/82/11/25/1076821125.db2.gz GSUIZDOTBPYVNV-KRWDZBQOSA-N -1 3 416.572 2.946 20 0 HFADHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000746687822 1076836479 /nfs/dbraw/zinc/83/64/79/1076836479.db2.gz KSQHADINBGFODS-NVXWUHKLSA-N -1 3 408.527 2.637 20 0 HFADHM Cc1nc(C)c(CC(=O)NC[C@@H](C(=O)OCc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000787544373 1076855310 /nfs/dbraw/zinc/85/53/10/1076855310.db2.gz RPFQQIPZZYUOBN-OAQYLSRUSA-N -1 3 419.481 2.985 20 0 HFADHM O=C(NC[C@@H](O)c1ccccc1F)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000746708446 1076929093 /nfs/dbraw/zinc/92/90/93/1076929093.db2.gz RVIDFSMGVYGWLJ-GOSISDBHSA-N -1 3 421.425 2.557 20 0 HFADHM O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000787841368 1076960144 /nfs/dbraw/zinc/96/01/44/1076960144.db2.gz YCFPFSNVHFJCHS-SJLPKXTDSA-N -1 3 406.841 2.639 20 0 HFADHM CCOC(=O)c1nnc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)[n-]1 ZINC000787905793 1076989841 /nfs/dbraw/zinc/98/98/41/1076989841.db2.gz JGJHDUGBEQTINY-UHFFFAOYSA-N -1 3 402.414 2.522 20 0 HFADHM COc1ccc([C@H](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)N2CCCC2)cc1 ZINC000787917588 1076995065 /nfs/dbraw/zinc/99/50/65/1076995065.db2.gz DNYUWWMNUAHMQC-KRWDZBQOSA-N -1 3 413.902 2.998 20 0 HFADHM C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCCc2ccc([O-])c(F)c2)C1=O ZINC000787992881 1077021359 /nfs/dbraw/zinc/02/13/59/1077021359.db2.gz ITAJSMVULOVSCU-JOCHJYFZSA-N -1 3 413.449 2.829 20 0 HFADHM COCCCCS(=O)(=O)[N-]C[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000772711540 1077043199 /nfs/dbraw/zinc/04/31/99/1077043199.db2.gz OZLYDDPCTBTXIF-ZDUSSCGKSA-N -1 3 423.375 2.801 20 0 HFADHM O=C([N-]OC[C@@H]1CCOC1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000788116399 1077058061 /nfs/dbraw/zinc/05/80/61/1077058061.db2.gz ADPXFQSQBKOPNB-OCCSQVGLSA-N -1 3 401.290 2.930 20 0 HFADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N(C)c2nccn2C)c(Cl)cc1Cl ZINC000788200948 1077077958 /nfs/dbraw/zinc/07/79/58/1077077958.db2.gz MTVQBXNCRYRYAY-UHFFFAOYSA-N -1 3 419.334 2.938 20 0 HFADHM COC(=O)c1cnc(SCC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)[n-]1 ZINC000788505590 1077185562 /nfs/dbraw/zinc/18/55/62/1077185562.db2.gz LAQOQQXNGNJQMO-CHWSQXEVSA-N -1 3 404.492 2.541 20 0 HFADHM COc1ccc(CCS(=O)(=O)[N-][C@H](c2nc(-c3cccnc3)no2)C(C)C)cc1 ZINC000788607502 1077205692 /nfs/dbraw/zinc/20/56/92/1077205692.db2.gz FYUUTUQPSPPVSY-SFHVURJKSA-N -1 3 416.503 2.999 20 0 HFADHM O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[N-]OC[C@H]1CCOC1 ZINC000788573316 1077209861 /nfs/dbraw/zinc/20/98/61/1077209861.db2.gz DGTDRRCYGCYTIQ-NSHDSACASA-N -1 3 409.533 2.593 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2c(C)cc(C)nc2OC)c(C)c1Cl ZINC000788619265 1077230576 /nfs/dbraw/zinc/23/05/76/1077230576.db2.gz HJMIMBKPMSEQLV-UHFFFAOYSA-N -1 3 418.924 2.995 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](O)c2ccc(C)cc2)c(C)c1Cl ZINC000788631844 1077237675 /nfs/dbraw/zinc/23/76/75/1077237675.db2.gz RZZVGWZSWWOBNH-LBPRGKRZSA-N 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HFADHM O=C(NCc1ccc2ncccc2c1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000792631074 1077940202 /nfs/dbraw/zinc/94/02/02/1077940202.db2.gz DGMHNNCFWWHOJI-UHFFFAOYSA-N -1 3 417.437 2.884 20 0 HFADHM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CC1(Cl)Cl ZINC000790140004 1077955060 /nfs/dbraw/zinc/95/50/60/1077955060.db2.gz NOLKVKUKFFUBIT-MRVPVSSYSA-N -1 3 415.726 2.523 20 0 HFADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2cc(F)ccc2F)C(F)F)ccc1F ZINC000790146010 1077956815 /nfs/dbraw/zinc/95/68/15/1077956815.db2.gz GWRVPEXHHKDNCD-CQSZACIVSA-N -1 3 408.348 2.748 20 0 HFADHM CC(C)(C)OC(=O)NCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000790168622 1077964309 /nfs/dbraw/zinc/96/43/09/1077964309.db2.gz GDAVGIIXWHZYKW-UHFFFAOYSA-N -1 3 413.721 2.906 20 0 HFADHM COC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000790192520 1077967283 /nfs/dbraw/zinc/96/72/83/1077967283.db2.gz VDRPVCUKFDSIAY-SECBINFHSA-N -1 3 411.705 2.612 20 0 HFADHM O=C(COC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)[N-]C(=O)c1cccs1 ZINC000792709381 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COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)c1 ZINC000793392856 1078164726 /nfs/dbraw/zinc/16/47/26/1078164726.db2.gz VFTQMOIAPRDBFH-UHFFFAOYSA-N -1 3 419.434 2.745 20 0 HFADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCCC2)O1 ZINC000790920197 1078184114 /nfs/dbraw/zinc/18/41/14/1078184114.db2.gz XYZHXVBGJRDTFK-LBPRGKRZSA-N -1 3 402.900 2.682 20 0 HFADHM O=C([N-]C[C@@H]1CCCN(CN2CC[C@@H](CCc3ccccc3)C2=O)C1)C(F)(F)F ZINC000793518554 1078197962 /nfs/dbraw/zinc/19/79/62/1078197962.db2.gz GOBYFICPMMUBFD-ZWKOTPCHSA-N -1 3 411.468 2.816 20 0 HFADHM O=C(NCc1cccnc1F)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000793996163 1078358605 /nfs/dbraw/zinc/35/86/05/1078358605.db2.gz IUYMAPGFLXKFKG-UHFFFAOYSA-N -1 3 418.277 2.898 20 0 HFADHM Cc1nc(C)c(CC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c(=O)[n-]1 ZINC000794023017 1078363109 /nfs/dbraw/zinc/36/31/09/1078363109.db2.gz CDAJJNUMVPSNRI-SFHVURJKSA-N -1 3 412.490 2.507 20 0 HFADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1 ZINC000794220208 1078386018 /nfs/dbraw/zinc/38/60/18/1078386018.db2.gz BNMLEIGVFNDSKM-JOCHJYFZSA-N -1 3 411.458 2.882 20 0 HFADHM Cn1c2cc([O-])c(NC(=O)[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2n(C)c1=O ZINC000794211920 1078394073 /nfs/dbraw/zinc/39/40/73/1078394073.db2.gz YSTTWAOGOOOCFY-OAQYLSRUSA-N -1 3 418.494 2.558 20 0 HFADHM CO[C@@](C)([C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C1CC1 ZINC001129850195 1078532749 /nfs/dbraw/zinc/53/27/49/1078532749.db2.gz BSRVVLOZEOIXLZ-BLVKFPJESA-N -1 3 400.516 2.836 20 0 HFADHM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC000804488208 1078547212 /nfs/dbraw/zinc/54/72/12/1078547212.db2.gz AEDPHSNSHDIXTQ-KUHUBIRLSA-N -1 3 408.495 2.673 20 0 HFADHM O=S(=O)([N-]Cc1cccnc1-n1ccnc1)c1c(F)cccc1OC(F)(F)F ZINC000804947672 1078776419 /nfs/dbraw/zinc/77/64/19/1078776419.db2.gz NPHZLLGCLVYKRH-UHFFFAOYSA-N -1 3 416.356 2.784 20 0 HFADHM COc1cc(OC)c(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)c(OC)c1 ZINC000804958668 1078798208 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C[C@]12CCN(C(=O)c3ccc(F)c(S(=O)(=O)[N-]C4CC4)c3)C[C@H]1C2(Cl)Cl ZINC000791205407 1077342926 /nfs/dbraw/zinc/34/29/26/1077342926.db2.gz GQBUWHIWPAXNKW-ZBFHGGJFSA-N -1 3 421.321 2.922 20 0 HFADHM COCCCOC1(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCCC1 ZINC000791323201 1077373939 /nfs/dbraw/zinc/37/39/39/1077373939.db2.gz VPPHPECJORNZCD-SFHVURJKSA-N -1 3 405.491 2.906 20 0 HFADHM C[C@@H](OC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1nnnn1C1CC1 ZINC000791324144 1077374288 /nfs/dbraw/zinc/37/42/88/1077374288.db2.gz USEVCMULNAWPIV-AUUYWEPGSA-N -1 3 421.457 2.879 20 0 HFADHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C(F)(F)C1(O)CCCC1 ZINC000791351231 1077390931 /nfs/dbraw/zinc/39/09/31/1077390931.db2.gz DNGNEBJZSAXMFD-UHFFFAOYSA-N -1 3 416.368 2.956 20 0 HFADHM C[C@H](OC(=O)CNC(=O)c1ccc([O-])cc1)C(=O)c1ccccc1Br ZINC000789043416 1077392754 /nfs/dbraw/zinc/39/27/54/1077392754.db2.gz HKBRFXRVLKBOTI-NSHDSACASA-N -1 3 406.232 2.699 20 0 HFADHM COc1ccnc(COC(=O)c2ccc(I)c([O-])c2)c1OC ZINC000789092456 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HFADHM C[C@H](CO[N-]C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)NC(=O)OC(C)(C)C ZINC000788003549 1077025427 /nfs/dbraw/zinc/02/54/27/1077025427.db2.gz IOOPMSANMBKWGE-RDBSUJKOSA-N -1 3 401.504 2.593 20 0 HFADHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)s1 ZINC000788075935 1077053734 /nfs/dbraw/zinc/05/37/34/1077053734.db2.gz VQVRFSDASZCLRB-NSHDSACASA-N -1 3 402.460 2.902 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@@H](OCC)C2(C)C)[n-]1 ZINC000788177328 1077067273 /nfs/dbraw/zinc/06/72/73/1077067273.db2.gz WMNOAIPHLHRIEY-MPBGBICISA-N -1 3 424.498 2.623 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)C[C@@H](OCC)C2(C)C)c[n-]1 ZINC000788177328 1077067279 /nfs/dbraw/zinc/06/72/79/1077067279.db2.gz WMNOAIPHLHRIEY-MPBGBICISA-N -1 3 424.498 2.623 20 0 HFADHM CCOC(=O)c1ncc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)C[C@@H](OCC)C2(C)C)[n-]1 ZINC000788177329 1077067552 /nfs/dbraw/zinc/06/75/52/1077067552.db2.gz WMNOAIPHLHRIEY-ODXCJYRJSA-N -1 3 424.498 2.623 20 0 HFADHM CCOC(=O)c1nc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)C[C@@H](OCC)C2(C)C)c[n-]1 ZINC000788177329 1077067557 /nfs/dbraw/zinc/06/75/57/1077067557.db2.gz WMNOAIPHLHRIEY-ODXCJYRJSA-N -1 3 424.498 2.623 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)C(=O)N2CCCC[C@H]2C)c(C)c1Cl ZINC000788611056 1077207548 /nfs/dbraw/zinc/20/75/48/1077207548.db2.gz FBOVZEOJDFMZRD-KOLCDFICSA-N -1 3 422.956 2.564 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2nc3ccccc3n2C)c(C)c1Cl ZINC000788584159 1077212662 /nfs/dbraw/zinc/21/26/62/1077212662.db2.gz FJZGPESJFCPAOG-UHFFFAOYSA-N -1 3 413.908 2.862 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCCN2CCCCCC2=O)c(C)c1Cl ZINC000788589246 1077214172 /nfs/dbraw/zinc/21/41/72/1077214172.db2.gz SHHWMRIKVXNLIX-UHFFFAOYSA-N -1 3 422.956 2.568 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCOc2ccc(F)cc2)c(C)c1Cl ZINC000788597271 1077217495 /nfs/dbraw/zinc/21/74/95/1077217495.db2.gz VYMYIGCZRFYYJJ-UHFFFAOYSA-N -1 3 407.872 2.993 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCCN(C)CC(F)(F)F)c(C)c1Cl ZINC000788597693 1077218218 /nfs/dbraw/zinc/21/82/18/1077218218.db2.gz VNVDWMBSYKASMP-UHFFFAOYSA-N -1 3 422.878 2.659 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CO)c2sccc2C)c(C)c1Cl ZINC000788646910 1077223997 /nfs/dbraw/zinc/22/39/97/1077223997.db2.gz OFIJZGKEUZMCNJ-SECBINFHSA-N -1 3 409.938 2.878 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2CCCc3nc(C)ncc32)c(C)c1Cl ZINC000788623327 1077232368 /nfs/dbraw/zinc/23/23/68/1077232368.db2.gz BOPYIKKIILAANH-LBPRGKRZSA-N -1 3 415.924 2.951 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(F)cc2)c(C)c1Cl ZINC000788626664 1077235123 /nfs/dbraw/zinc/23/51/23/1077235123.db2.gz OGKZXPSCPGTLMO-LLVKDONJSA-N -1 3 407.872 2.648 20 0 HFADHM O=S(=O)([N-]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccc(Cl)nc1Cl ZINC000790929899 1077237756 /nfs/dbraw/zinc/23/77/56/1077237756.db2.gz INKFGUPDTLZUAY-JTQLQIEISA-N -1 3 411.257 2.796 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CO)c2cccc(F)c2)c(C)c1Cl ZINC000788634361 1077238729 /nfs/dbraw/zinc/23/87/29/1077238729.db2.gz NAJQRUVVAARNMN-LLVKDONJSA-N -1 3 407.872 2.648 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)c(C)c1Cl ZINC000788635430 1077241001 /nfs/dbraw/zinc/24/10/01/1077241001.db2.gz YFDAUEHTEOOEBD-GFCCVEGCSA-N -1 3 403.909 2.899 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CO)c2ccccc2C)c(C)c1Cl ZINC000788639627 1077243233 /nfs/dbraw/zinc/24/32/33/1077243233.db2.gz CHTVLOJPMGNZGA-LBPRGKRZSA-N -1 3 403.909 2.817 20 0 HFADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(C)(C)C ZINC000788642702 1077244769 /nfs/dbraw/zinc/24/47/69/1077244769.db2.gz ANVLFIQIUDKARH-LLVKDONJSA-N -1 3 411.929 2.753 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H]2CSCCS2)c(C)c1Cl ZINC000788643486 1077245105 /nfs/dbraw/zinc/24/51/05/1077245105.db2.gz FNCQEDMTFMLFBT-QMMMGPOBSA-N -1 3 401.984 2.623 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCCc2c(C)nn(C)c2C)c(C)c1Cl ZINC000788662677 1077258575 /nfs/dbraw/zinc/25/85/75/1077258575.db2.gz NBSSHJRACBGVQT-UHFFFAOYSA-N -1 3 419.956 2.758 20 0 HFADHM CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)Nc2cc(Br)ccc2[O-])=NO1 ZINC000788662568 1077258597 /nfs/dbraw/zinc/25/85/97/1077258597.db2.gz XMXJKAMNXAIVNX-SNVBAGLBSA-N -1 3 414.256 2.763 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2nccn2CC(C)C)c(C)c1Cl ZINC000788662796 1077258614 /nfs/dbraw/zinc/25/86/14/1077258614.db2.gz NRMQAUNRQHSJBF-UHFFFAOYSA-N -1 3 405.929 2.828 20 0 HFADHM Cc1[nH]nc(NC(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1Cl ZINC000790993413 1077263510 /nfs/dbraw/zinc/26/35/10/1077263510.db2.gz MSDLDKGJIKTCCE-UHFFFAOYSA-N -1 3 411.698 2.985 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@](C)(O)C2CCCCC2)ccc1F ZINC000791072984 1077290287 /nfs/dbraw/zinc/29/02/87/1077290287.db2.gz RCTWUJHWNUPERV-HXUWFJFHSA-N -1 3 414.543 2.964 20 0 HFADHM CC(C)COc1ccc(OS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000788918323 1077354656 /nfs/dbraw/zinc/35/46/56/1077354656.db2.gz FRQGMBHTRWHTDK-UHFFFAOYSA-N -1 3 417.480 3.000 20 0 HFADHM C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OC[C@H]2CC3(CCC3)C(=O)O2)c1Cl ZINC000791408597 1077401681 /nfs/dbraw/zinc/40/16/81/1077401681.db2.gz ZSRKVAJPTJYFOV-SECBINFHSA-N -1 3 422.286 2.544 20 0 HFADHM CS[C@@H]1CCCCN(C(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)C1 ZINC000772732270 1077430494 /nfs/dbraw/zinc/43/04/94/1077430494.db2.gz DBELSCZWFLVNLX-QWHCGFSZSA-N -1 3 405.973 2.536 20 0 HFADHM CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCc2nc[n-]c(=O)c2C1)c1ccc(F)cc1 ZINC000791658570 1077515173 /nfs/dbraw/zinc/51/51/73/1077515173.db2.gz TVFSGFOFYICORL-OAHLLOKOSA-N -1 3 416.453 2.515 20 0 HFADHM Cc1cc([C@@](C)(O)C[N-]S(=O)(=O)c2ccc(Br)cc2F)c(C)o1 ZINC000772742604 1077734552 /nfs/dbraw/zinc/73/45/52/1077734552.db2.gz NHNDEEHIPSIHQV-HNNXBMFYSA-N -1 3 406.273 2.984 20 0 HFADHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000789736301 1077743139 /nfs/dbraw/zinc/74/31/39/1077743139.db2.gz YBAWOJXFDOWENB-UHFFFAOYSA-N -1 3 410.293 2.846 20 0 HFADHM COc1cccc(C2=NO[C@@H](C(=O)NCc3ccc([O-])c(Br)c3)C2)c1 ZINC000792243215 1077762515 /nfs/dbraw/zinc/76/25/15/1077762515.db2.gz PTDIJGFVGAIHAS-QGZVFWFLSA-N -1 3 405.248 2.973 20 0 HFADHM O=C(NCC(F)(F)c1ccccc1)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000789859960 1077841469 /nfs/dbraw/zinc/84/14/69/1077841469.db2.gz CHHUSIXDGQPPKG-UHFFFAOYSA-N -1 3 416.396 2.927 20 0 HFADHM CCOC(=O)NCCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000789867441 1077843570 /nfs/dbraw/zinc/84/35/70/1077843570.db2.gz FXJHTTBLPURYAQ-UHFFFAOYSA-N -1 3 407.228 2.573 20 0 HFADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)ccc1F ZINC000792537131 1077891542 /nfs/dbraw/zinc/89/15/42/1077891542.db2.gz CUTOTEOQROBMPU-CYBMUJFWSA-N -1 3 424.498 2.772 20 0 HFADHM CCCCc1nc(NC(=O)c2cc(S(C)(=O)=O)ccc2F)c(C(=O)OCC)[n-]1 ZINC000792554175 1077901058 /nfs/dbraw/zinc/90/10/58/1077901058.db2.gz WUYYUJJHLOHUIX-UHFFFAOYSA-N -1 3 411.455 2.724 20 0 HFADHM CC(C)COC[C@@H]([N-]S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1)c1ccco1 ZINC000790014423 1077913324 /nfs/dbraw/zinc/91/33/24/1077913324.db2.gz HVZCKHCNUHCSLR-OAHLLOKOSA-N -1 3 402.513 2.532 20 0 HFADHM COc1cc(Cl)c(S(=O)(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1C(=O)[O-] ZINC000792591356 1077925055 /nfs/dbraw/zinc/92/50/55/1077925055.db2.gz LIERIUJLLSWUON-XQQFMLRXSA-N -1 3 418.943 2.692 20 0 HFADHM CC(C)OC(=O)CC[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000792601598 1077930762 /nfs/dbraw/zinc/93/07/62/1077930762.db2.gz YQYBYUWHYVSFMJ-CYBMUJFWSA-N -1 3 416.515 2.753 20 0 HFADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C)N2CCc3ccccc32)cc1OC ZINC000746876366 1077935550 /nfs/dbraw/zinc/93/55/50/1077935550.db2.gz ITTLLFXMHCKFMU-AWEZNQCLSA-N -1 3 403.504 2.847 20 0 HFADHM COC(=O)c1csc(-c2cccc(CN/C=C3/C(=O)[N-]C(=O)c4ccccc43)c2)n1 ZINC000790096616 1077947429 /nfs/dbraw/zinc/94/74/29/1077947429.db2.gz HRZUOTLGAMFYBV-GZTJUZNOSA-N -1 3 419.462 2.997 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cc(Cl)nc(NC)c3)c2)[n-]1 ZINC000790159265 1077961883 /nfs/dbraw/zinc/96/18/83/1077961883.db2.gz SXNAPDAXNVRGOL-UHFFFAOYSA-N -1 3 414.853 2.669 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cc(Cl)nc(NC)c3)c2)n[n-]1 ZINC000790159265 1077961885 /nfs/dbraw/zinc/96/18/85/1077961885.db2.gz SXNAPDAXNVRGOL-UHFFFAOYSA-N -1 3 414.853 2.669 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cccc(C)c3NC(C)=O)c2)[n-]1 ZINC000790161412 1077962955 /nfs/dbraw/zinc/96/29/55/1077962955.db2.gz ZONWVPTUVXOZBY-UHFFFAOYSA-N -1 3 421.457 2.845 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cccc(C)c3NC(C)=O)c2)n[n-]1 ZINC000790161412 1077962956 /nfs/dbraw/zinc/96/29/56/1077962956.db2.gz ZONWVPTUVXOZBY-UHFFFAOYSA-N -1 3 421.457 2.845 20 0 HFADHM O=S(=O)(C[C@H]1CCCOC1)[N-]C1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000792760248 1077987539 /nfs/dbraw/zinc/98/75/39/1077987539.db2.gz CELHJTHLNWEXHL-HOTGVXAUSA-N -1 3 413.540 2.817 20 0 HFADHM CN(C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)C[C@@H]1CCCOC1)c1ccccc1 ZINC000792758660 1077987556 /nfs/dbraw/zinc/98/75/56/1077987556.db2.gz RWAMNBNHSGTGHY-CTNGQTDRSA-N -1 3 416.543 2.607 20 0 HFADHM CC(C)[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H](O)c1ccccc1 ZINC000790372462 1078017436 /nfs/dbraw/zinc/01/74/36/1078017436.db2.gz QFBNKMUTUICGHJ-PMACEKPBSA-N -1 3 420.506 2.754 20 0 HFADHM Cn1cc(S(=O)(=O)[N-][C@H](c2cncc(Br)c2)C2CC2)nc1Cl ZINC000790434547 1078029792 /nfs/dbraw/zinc/02/97/92/1078029792.db2.gz OIWGSKSVOVPBOB-LBPRGKRZSA-N -1 3 405.705 2.661 20 0 HFADHM CCCn1cc(NC(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000806312373 1079566507 /nfs/dbraw/zinc/56/65/07/1079566507.db2.gz UJHKXMARZPALQZ-UHFFFAOYSA-N -1 3 420.322 2.700 20 0 HFADHM O=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Nc1ccc(F)nc1 ZINC000806356249 1079590777 /nfs/dbraw/zinc/59/07/77/1079590777.db2.gz OCCICUKDXFAEJC-UHFFFAOYSA-N -1 3 407.254 2.628 20 0 HFADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)C3CN(C(=O)OC(C)(C)C)C3)nc21 ZINC000807115243 1080292078 /nfs/dbraw/zinc/29/20/78/1080292078.db2.gz XBMHHLKBKQBOLB-NSHDSACASA-N -1 3 402.451 2.791 20 0 HFADHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000807286278 1080446384 /nfs/dbraw/zinc/44/63/84/1080446384.db2.gz YZRKUIMNUBQLJX-UHFFFAOYSA-N -1 3 420.803 2.933 20 0 HFADHM O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)NCc1ccc(F)cc1Br ZINC000426743584 1126086089 /nfs/dbraw/zinc/08/60/89/1126086089.db2.gz UKEOXFUCSMIPCU-QGZVFWFLSA-N -1 3 419.254 2.954 20 0 HFADHM O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)NCc1cc(F)ccc1Br ZINC000426749015 1126086847 /nfs/dbraw/zinc/08/68/47/1126086847.db2.gz BWQCPNMTGIMTHM-KRWDZBQOSA-N -1 3 419.254 2.954 20 0 HFADHM Cc1cc(C)n(C[C@H](NCc2cnn(-c3ccc(Br)cc3)c2)C(=O)[O-])n1 ZINC000559980348 1126097367 /nfs/dbraw/zinc/09/73/67/1126097367.db2.gz JKPMREWPIKYVQS-KRWDZBQOSA-N -1 3 418.295 2.691 20 0 HFADHM Cn1c(CN[C@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])nc2cc(Cl)ccc21 ZINC001116780013 1126146025 /nfs/dbraw/zinc/14/60/25/1126146025.db2.gz KJMRSOKFXXNERX-QGZVFWFLSA-N -1 3 410.865 2.593 20 0 HFADHM O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(=S)[n-]2)N1Cc1cccnc1 ZINC001164693019 719770276 /nfs/dbraw/zinc/77/02/76/719770276.db2.gz XCBWCSFOPMTDEN-VXGBXAGGSA-N -1 3 411.865 2.738 20 0 HFADHM CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]21 ZINC001164824890 720421357 /nfs/dbraw/zinc/42/13/57/720421357.db2.gz LUQUDNPHCDEWAB-UTUOFQBUSA-N -1 3 420.913 2.577 20 0 HFADHM Cc1cccc(N2CCN(CCCCNC(=O)NC3(C(=O)[O-])CCCCC3)CC2)c1 ZINC000780392523 939113954 /nfs/dbraw/zinc/11/39/54/939113954.db2.gz MSOKVGRJZXOOEP-UHFFFAOYSA-N -1 3 416.566 2.984 20 0 HFADHM CC(=O)N1CCCN(c2ccc(F)cc2NC=C2C(=O)[N-]C(=O)c3ccccc32)CC1 ZINC000790618222 1078077849 /nfs/dbraw/zinc/07/78/49/1078077849.db2.gz HNSYRBLZFNMJEJ-XMHGGMMESA-N -1 3 422.460 2.607 20 0 HFADHM CN(Cc1ccccc1)Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccccn2)c1 ZINC000793314083 1078133300 /nfs/dbraw/zinc/13/33/00/1078133300.db2.gz KQBQUFACGTVGBY-UHFFFAOYSA-N -1 3 409.511 2.973 20 0 HFADHM CC(C)(NC(=O)Nc1ccccc1)C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793469710 1078182909 /nfs/dbraw/zinc/18/29/09/1078182909.db2.gz QVYDONOKSXIODH-ZDUSSCGKSA-N -1 3 414.428 2.504 20 0 HFADHM COc1cc(C(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)cc(OC)c1[O-] ZINC000794222543 1078386634 /nfs/dbraw/zinc/38/66/34/1078386634.db2.gz JBOMRUPFGTVTBO-QFIPXVFZSA-N -1 3 414.458 2.940 20 0 HFADHM O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129612508 1078618839 /nfs/dbraw/zinc/61/88/39/1078618839.db2.gz GSRFGMXHOPRXQR-UHFFFAOYSA-N -1 3 409.347 2.739 20 0 HFADHM O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129612508 1078618843 /nfs/dbraw/zinc/61/88/43/1078618843.db2.gz GSRFGMXHOPRXQR-UHFFFAOYSA-N -1 3 409.347 2.739 20 0 HFADHM Cn1nc(Br)cc1C(=O)Nc1cc(I)ccc1[O-] ZINC000760473434 1078731075 /nfs/dbraw/zinc/73/10/75/1078731075.db2.gz VEXZTZLVNYDVKF-UHFFFAOYSA-N -1 3 422.020 2.745 20 0 HFADHM Cc1noc([C@@H]2CCCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)n1 ZINC000804907208 1078729908 /nfs/dbraw/zinc/72/99/08/1078729908.db2.gz UZQVURPMSSXPNW-AWEZNQCLSA-N -1 3 410.471 2.571 20 0 HFADHM Cc1nn(C)cc1S(=O)(=O)Oc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000804939131 1078765062 /nfs/dbraw/zinc/76/50/62/1078765062.db2.gz JDWVNYWCZGCOPM-UHFFFAOYSA-N -1 3 421.500 2.605 20 0 HFADHM CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000804932368 1078789206 /nfs/dbraw/zinc/78/92/06/1078789206.db2.gz HMHCEPGKMBOVRT-CYBMUJFWSA-N -1 3 407.417 2.936 20 0 HFADHM CC(C)(C)OC(=O)N1CCC[C@H]1C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000804988538 1078792873 /nfs/dbraw/zinc/79/28/73/1078792873.db2.gz DAVBAYMLIMVPGC-NSHDSACASA-N -1 3 409.430 2.778 20 0 HFADHM CN(CC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)OC(C)(C)C ZINC000804985741 1078821744 /nfs/dbraw/zinc/82/17/44/1078821744.db2.gz FQNFIZNCWZYWFP-UHFFFAOYSA-N -1 3 416.393 2.870 20 0 HFADHM C[C@H]([N-]S(=O)(=O)c1ccc(N(C)C)nc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000805022505 1078833774 /nfs/dbraw/zinc/83/37/74/1078833774.db2.gz UYDDNUJAPVIVLT-NSHDSACASA-N -1 3 407.883 2.891 20 0 HFADHM CC(C)(C)OC(=O)N1CC([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000805005047 1078850544 /nfs/dbraw/zinc/85/05/44/1078850544.db2.gz IPVTYKVESLHZNO-UHFFFAOYSA-N -1 3 414.377 2.622 20 0 HFADHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000805004588 1078849765 /nfs/dbraw/zinc/84/97/65/1078849765.db2.gz XHMOOOFTWAPTDQ-VIFPVBQESA-N -1 3 412.411 2.624 20 0 HFADHM CC(C)[C@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)NC(=O)OC(C)(C)C ZINC000805006173 1078851495 /nfs/dbraw/zinc/85/14/95/1078851495.db2.gz YFDDJIARUZTSDN-NSHDSACASA-N -1 3 411.446 2.928 20 0 HFADHM CC[C@@](C)([N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)c1nccs1 ZINC000805011785 1078855520 /nfs/dbraw/zinc/85/55/20/1078855520.db2.gz CLDCETIXELFLCS-CQSZACIVSA-N -1 3 410.489 2.743 20 0 HFADHM O=S(=O)([N-][C@H](CO)c1cccc(Br)c1)c1cnc(Cl)c(F)c1 ZINC000805038686 1078856826 /nfs/dbraw/zinc/85/68/26/1078856826.db2.gz CCZSUAQJNVIHFY-GFCCVEGCSA-N -1 3 409.664 2.649 20 0 HFADHM CC(C)(C)OC(=O)NC1(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCC1 ZINC000805060621 1078872910 /nfs/dbraw/zinc/87/29/10/1078872910.db2.gz HTLKWLHERJFMRX-UHFFFAOYSA-N -1 3 409.430 2.826 20 0 HFADHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000805080570 1078911348 /nfs/dbraw/zinc/91/13/48/1078911348.db2.gz LYUSWBHYYGASPX-MFKMUULPSA-N -1 3 407.895 2.798 20 0 HFADHM O=S(=O)([N-]CCCCn1cc(Br)cn1)c1cnc(Cl)c(F)c1 ZINC000805083812 1078913224 /nfs/dbraw/zinc/91/32/24/1078913224.db2.gz METMDVZVSFKVDX-UHFFFAOYSA-N -1 3 411.684 2.592 20 0 HFADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000805135831 1078932368 /nfs/dbraw/zinc/93/23/68/1078932368.db2.gz YPTQVACYRQMXGD-MRXNPFEDSA-N -1 3 414.959 2.750 20 0 HFADHM Cc1ccc(-c2cc(NC(=O)COC(=O)c3cnn[n-]3)n(-c3ccccc3)n2)cc1 ZINC000805610195 1079174037 /nfs/dbraw/zinc/17/40/37/1079174037.db2.gz XTGAKDJXSMAIQU-UHFFFAOYSA-N -1 3 402.414 2.761 20 0 HFADHM Cc1ccc(-c2cc(NC(=O)COC(=O)c3c[n-]nn3)n(-c3ccccc3)n2)cc1 ZINC000805610195 1079174043 /nfs/dbraw/zinc/17/40/43/1079174043.db2.gz XTGAKDJXSMAIQU-UHFFFAOYSA-N -1 3 402.414 2.761 20 0 HFADHM CC[C@@H](NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O)c1ccccc1F ZINC001130307972 1079203034 /nfs/dbraw/zinc/20/30/34/1079203034.db2.gz MDGOILFVEAXZTO-GOSISDBHSA-N -1 3 402.470 2.666 20 0 HFADHM CC1(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC000805874020 1079315899 /nfs/dbraw/zinc/31/58/99/1079315899.db2.gz YXLCPIVOBFVZGZ-UHFFFAOYSA-N -1 3 413.543 2.712 20 0 HFADHM COc1cccc2nc([N-]C(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)sc21 ZINC001130453330 1079378260 /nfs/dbraw/zinc/37/82/60/1079378260.db2.gz KKKHAWGMRPKDSL-UHFFFAOYSA-N -1 3 407.473 2.935 20 0 HFADHM COCc1cccc(CS(=O)(=O)[N-]C(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000805975619 1079382400 /nfs/dbraw/zinc/38/24/00/1079382400.db2.gz WHZZAYHOONUJSQ-UHFFFAOYSA-N -1 3 416.543 2.691 20 0 HFADHM Cn1cc([C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C(C)(C)C)cn1 ZINC000747305694 1079431419 /nfs/dbraw/zinc/43/14/19/1079431419.db2.gz AKARNDRCRHHWNF-QGZVFWFLSA-N -1 3 408.499 2.517 20 0 HFADHM Nc1cc(COC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)ccn1 ZINC000787586566 1076860747 /nfs/dbraw/zinc/86/07/47/1076860747.db2.gz UQOVHRBAWKCOJU-UHFFFAOYSA-N -1 3 416.286 2.768 20 0 HFADHM O=C(OCCOCC(F)(F)C(F)(F)F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000787640288 1076892380 /nfs/dbraw/zinc/89/23/80/1076892380.db2.gz HUMUZXJELSFISR-GFCCVEGCSA-N -1 3 411.323 2.754 20 0 HFADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000787846506 1076962470 /nfs/dbraw/zinc/96/24/70/1076962470.db2.gz SOXSCXXZEVWLFM-HOCLYGCPSA-N -1 3 417.433 2.742 20 0 HFADHM CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000787845924 1076962616 /nfs/dbraw/zinc/96/26/16/1076962616.db2.gz RSVDSQHHKWOZTN-GDBMZVCRSA-N -1 3 409.454 2.587 20 0 HFADHM CN(C)C(=O)c1cccc(NC(=O)COC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787850094 1076963759 /nfs/dbraw/zinc/96/37/59/1076963759.db2.gz OYMCTEYGOVJMBH-UHFFFAOYSA-N -1 3 402.422 2.738 20 0 HFADHM COc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000772711719 1077053660 /nfs/dbraw/zinc/05/36/60/1077053660.db2.gz SAQAWBVFAYHXCG-CQSZACIVSA-N -1 3 404.257 2.609 20 0 HFADHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2CN(C)C)s1 ZINC000788090122 1077056013 /nfs/dbraw/zinc/05/60/13/1077056013.db2.gz HTZSNFIUOKOEKQ-UHFFFAOYSA-N -1 3 411.549 2.817 20 0 HFADHM CCN(Cc1ccoc1)Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[n-]1 ZINC000772716372 1077071026 /nfs/dbraw/zinc/07/10/26/1077071026.db2.gz MQJHOLVHSYZCHV-UHFFFAOYSA-N -1 3 405.476 2.711 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)C(=O)N2CCCC[C@@H]2C)c(C)c1Cl ZINC000788611055 1077207187 /nfs/dbraw/zinc/20/71/87/1077207187.db2.gz FBOVZEOJDFMZRD-GXSJLCMTSA-N -1 3 422.956 2.564 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CCN2Cc3ccccc3C2)c(C)c1Cl ZINC000788599839 1077218877 /nfs/dbraw/zinc/21/88/77/1077218877.db2.gz CRZFRSKEHXTHOL-UHFFFAOYSA-N -1 3 414.936 2.791 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2cccc3c2OCCO3)c(C)c1Cl ZINC000788613128 1077227454 /nfs/dbraw/zinc/22/74/54/1077227454.db2.gz MMGIPOIXSUIYPL-UHFFFAOYSA-N -1 3 417.892 2.746 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c(C)c1Cl ZINC000788634454 1077240014 /nfs/dbraw/zinc/24/00/14/1077240014.db2.gz JVYRBTGCTBJACI-WQAKAFBOSA-N -1 3 407.941 2.978 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]CC[C@H](O)c2ccccc2)c(C)c1Cl ZINC000788636583 1077241546 /nfs/dbraw/zinc/24/15/46/1077241546.db2.gz RPOMDMIVSOBJRW-LBPRGKRZSA-N -1 3 403.909 2.899 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2CN(C)Cc3ccccc32)c(C)c1Cl ZINC000788659688 1077256767 /nfs/dbraw/zinc/25/67/67/1077256767.db2.gz IAKJGUHETQBRGF-ZDUSSCGKSA-N -1 3 414.936 2.962 20 0 HFADHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2ccc([C@H](C)O)c(C)n2)c(C)c1Cl ZINC000788664295 1077258934 /nfs/dbraw/zinc/25/89/34/1077258934.db2.gz VJTLYYDZXHXVJI-JTQLQIEISA-N -1 3 418.924 2.732 20 0 HFADHM C/C=C\C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)OCC ZINC000788669487 1077261529 /nfs/dbraw/zinc/26/15/29/1077261529.db2.gz NSULPFGHPHUKGU-AGLBCWCQSA-N -1 3 424.302 2.956 20 0 HFADHM Cc1ccc2c(c1)CCN(C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C2 ZINC000790991984 1077263286 /nfs/dbraw/zinc/26/32/86/1077263286.db2.gz SJPTWUDVEFPYIY-CQSZACIVSA-N -1 3 407.923 2.685 20 0 HFADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C(C)C)[C@H](O)c2ccccc2)s1 ZINC000788721136 1077271575 /nfs/dbraw/zinc/27/15/75/1077271575.db2.gz MJDUMPCDGXZXIE-JKSUJKDBSA-N -1 3 413.517 2.580 20 0 HFADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000788724385 1077272718 /nfs/dbraw/zinc/27/27/18/1077272718.db2.gz VYXYNIYZYWTECX-WBVHZDCISA-N -1 3 412.895 2.558 20 0 HFADHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NCCCCCO)c(Cl)cc1Cl ZINC000791061013 1077286608 /nfs/dbraw/zinc/28/66/08/1077286608.db2.gz BMVJDZPULYWNAZ-UHFFFAOYSA-N -1 3 411.351 2.820 20 0 HFADHM CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc3c(cc2[O-])OCO3)cn1 ZINC000791143154 1077306816 /nfs/dbraw/zinc/30/68/16/1077306816.db2.gz OOEGQVKYXSSZKA-LJQANCHMSA-N -1 3 409.442 2.713 20 0 HFADHM C[C@H](OC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1nnnn1C1CC1 ZINC000791324148 1077374199 /nfs/dbraw/zinc/37/41/99/1077374199.db2.gz USEVCMULNAWPIV-IFXJQAMLSA-N -1 3 421.457 2.879 20 0 HFADHM O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000772728732 1077376673 /nfs/dbraw/zinc/37/66/73/1077376673.db2.gz IRTOWMNNBWGZBA-PWIZWCRZSA-N -1 3 400.475 2.725 20 0 HFADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)c2ccncc2Cl)ccc1F ZINC000791693896 1077531210 /nfs/dbraw/zinc/53/12/10/1077531210.db2.gz JTSWERHKAIWOMQ-UHFFFAOYSA-N -1 3 414.842 2.601 20 0 HFADHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)ccnc2Br)ccc1F ZINC000789734326 1077742863 /nfs/dbraw/zinc/74/28/63/1077742863.db2.gz IOZVXJXKQKAZTP-UHFFFAOYSA-N -1 3 403.229 2.879 20 0 HFADHM CCCCOc1ccc(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)c([O-])c1 ZINC000789742818 1077776261 /nfs/dbraw/zinc/77/62/61/1077776261.db2.gz ZTFLCFXXDJLDOC-SFHVURJKSA-N -1 3 415.412 2.875 20 0 HFADHM CC(C)C[C@@]1(CO)CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000789875080 1077831872 /nfs/dbraw/zinc/83/18/72/1077831872.db2.gz QLJLBGUWFODQRL-LJQANCHMSA-N -1 3 400.516 2.526 20 0 HFADHM C[C@H](CC(=O)Nc1nccn1-c1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000792478543 1077875414 /nfs/dbraw/zinc/87/54/14/1077875414.db2.gz KUUNYDCUKASCNL-CYBMUJFWSA-N -1 3 419.894 2.616 20 0 HFADHM O=C(CN1c2ccccc2OCCC1=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000792481224 1077875935 /nfs/dbraw/zinc/87/59/35/1077875935.db2.gz HSFSRMZXRNDISX-UHFFFAOYSA-N -1 3 403.398 2.972 20 0 HFADHM O=C([N-]OCc1cccnc1)C12CCC(C(=O)NOCc3cccnc3)(CC1)CC2 ZINC000789993695 1077893344 /nfs/dbraw/zinc/89/33/44/1077893344.db2.gz BQYCOZAYXLMWCJ-UHFFFAOYSA-N -1 3 410.474 2.613 20 0 HFADHM CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ncccc2[O-])[C@H]2CCCO[C@@H]2C1(C)C ZINC000792613856 1077939224 /nfs/dbraw/zinc/93/92/24/1077939224.db2.gz VNRIXNDSLIVZTE-PCMMCCAGSA-N -1 3 405.495 2.502 20 0 HFADHM CCCCNC(=O)CN1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000746881064 1077949725 /nfs/dbraw/zinc/94/97/25/1077949725.db2.gz IIBRBKIMZRWMES-UHFFFAOYSA-N -1 3 411.502 2.859 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C[C@H](O)c3cccc(F)c3)c2)[n-]1 ZINC000790159790 1077961853 /nfs/dbraw/zinc/96/18/53/1077961853.db2.gz KVPJYVUYTDDZBF-KRWDZBQOSA-N -1 3 412.421 2.527 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C[C@H](O)c3cccc(F)c3)c2)n[n-]1 ZINC000790159790 1077961855 /nfs/dbraw/zinc/96/18/55/1077961855.db2.gz KVPJYVUYTDDZBF-KRWDZBQOSA-N -1 3 412.421 2.527 20 0 HFADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)C34CC(C(F)(F)F)(C3)C4)c2)[n-]1 ZINC000790159739 1077962196 /nfs/dbraw/zinc/96/21/96/1077962196.db2.gz JTMKWHSEEOWAGJ-UHFFFAOYSA-N -1 3 408.380 2.997 20 0 HFADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)C34CC(C(F)(F)F)(C3)C4)c2)n[n-]1 ZINC000790159739 1077962197 /nfs/dbraw/zinc/96/21/97/1077962197.db2.gz JTMKWHSEEOWAGJ-UHFFFAOYSA-N -1 3 408.380 2.997 20 0 HFADHM COC(=O)N1CCC([N-]S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000790164334 1077963913 /nfs/dbraw/zinc/96/39/13/1077963913.db2.gz MJBSWDMMXZESMH-UHFFFAOYSA-N -1 3 411.705 2.612 20 0 HFADHM Cn1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)nc1=NC(=O)c1cc2occc2[n-]1 ZINC000792668970 1077968525 /nfs/dbraw/zinc/96/85/25/1077968525.db2.gz GWNXMWFGCJZONF-UHFFFAOYSA-N -1 3 414.466 2.678 20 0 HFADHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]Cc1cc(C)nn1C ZINC000790349838 1078001317 /nfs/dbraw/zinc/00/13/17/1078001317.db2.gz WIGUONUBDLZHJN-UHFFFAOYSA-N -1 3 408.705 2.632 20 0 HFADHM CC(C)(C)OC(=O)N[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000790446503 1078034557 /nfs/dbraw/zinc/03/45/57/1078034557.db2.gz GXFFIJMLKZEBFW-PHIMTYICSA-N -1 3 423.304 2.922 20 0 HFADHM COc1ccccc1[C@@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)N1CCCCC1 ZINC000806489769 1079740982 /nfs/dbraw/zinc/74/09/82/1079740982.db2.gz CIWAKEXYDOBBMO-LJQANCHMSA-N -1 3 408.506 2.699 20 0 HFADHM Cn1[n-]cc2c(=NC(=O)N[C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)ccnc1-2 ZINC000806490712 1079742014 /nfs/dbraw/zinc/74/20/14/1079742014.db2.gz KSSDBHSAYBTGNO-HNNXBMFYSA-N -1 3 418.423 2.757 20 0 HFADHM COC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)c1cccc(OC)c1 ZINC001130654709 1079760272 /nfs/dbraw/zinc/76/02/72/1079760272.db2.gz SVPDMKDKJUOADL-SFHVURJKSA-N -1 3 424.494 2.639 20 0 HFADHM CN1CC[C@@H](CNC(=O)N=c2ccnc3n(C)[n-]cc2-3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000806483924 1079770500 /nfs/dbraw/zinc/77/05/00/1079770500.db2.gz VQAWNMDPMFWXJG-UGSOOPFHSA-N -1 3 416.888 2.949 20 0 HFADHM CN1CC[C@H](CNC(=O)N=c2ccnc3n(C)[n-]cc2-3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000806483922 1079770661 /nfs/dbraw/zinc/77/06/61/1079770661.db2.gz VQAWNMDPMFWXJG-FZKQIMNGSA-N -1 3 416.888 2.949 20 0 HFADHM CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000806734387 1079959333 /nfs/dbraw/zinc/95/93/33/1079959333.db2.gz GJHFQLUNACNFDF-NSHDSACASA-N -1 3 407.417 2.793 20 0 HFADHM O=C(CSc1n[n-]c(=S)s1)NCC1(N2CCSCC2)CCCCC1 ZINC000747391090 1080479299 /nfs/dbraw/zinc/47/92/99/1080479299.db2.gz XSYUBAOBELQKPJ-UHFFFAOYSA-N -1 3 404.652 2.787 20 0 HFADHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2)C[C@@H](C)O1 ZINC000747406686 1080800008 /nfs/dbraw/zinc/80/00/08/1080800008.db2.gz HYHXYNIBOJTLEF-CHWSQXEVSA-N -1 3 403.460 2.948 20 0 HFADHM Cc1cnn(C[C@H](NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C(=O)[O-])c1 ZINC000426720603 1126082198 /nfs/dbraw/zinc/08/21/98/1126082198.db2.gz NWKCKRUPWRQLFQ-KRWDZBQOSA-N -1 3 407.396 2.698 20 0 HFADHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000426721971 1126082394 /nfs/dbraw/zinc/08/23/94/1126082394.db2.gz UKMDUPKTJLOWON-HNNXBMFYSA-N -1 3 411.359 2.529 20 0 HFADHM COc1ccc(CN[C@@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])c(Cl)c1OC ZINC000426745029 1126086374 /nfs/dbraw/zinc/08/63/74/1126086374.db2.gz SKADCGYAWBKPAG-INIZCTEOSA-N -1 3 416.865 2.723 20 0 HFADHM COc1ccc(C(=O)Nc2cccc(CN[C@H](Cn3cc(C)cn3)C(=O)[O-])c2)cc1 ZINC001255794665 1126160474 /nfs/dbraw/zinc/16/04/74/1126160474.db2.gz WLKAJPABENWKRB-HXUWFJFHSA-N -1 3 408.458 2.695 20 0 HFADHM