smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(Nc1ccccc1CCC(F)(F)F)c1cnc(-c2ccccc2)nc1 ZINC000436019199 861310855 /nfs/dbraw/zinc/31/08/55/861310855.db2.gz MXOUZXZVBQWSLP-UHFFFAOYSA-N 0 2 407.417 4.439 20 0 HIADLN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000436024954 861317873 /nfs/dbraw/zinc/31/78/73/861317873.db2.gz FFHRHRPWEKVFNC-UHFFFAOYSA-N 0 2 418.412 4.127 20 0 HIADLN Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)c2)n1 ZINC000436025845 861320721 /nfs/dbraw/zinc/32/07/21/861320721.db2.gz HSWXAOSTPLGUSR-UHFFFAOYSA-N 0 2 406.467 4.216 20 0 HIADLN O=S(=O)(Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1)c1cn[nH]c1 ZINC000436162216 861463630 /nfs/dbraw/zinc/46/36/30/861463630.db2.gz NLXQAJZZNSEACN-UHFFFAOYSA-N 0 2 406.876 4.266 20 0 HIADLN CCc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)cc1 ZINC000011411480 845791681 /nfs/dbraw/zinc/79/16/81/845791681.db2.gz MEXSCAZAWWOAQF-UHFFFAOYSA-N 0 2 405.479 4.141 20 0 HIADLN O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000014052462 845920909 /nfs/dbraw/zinc/92/09/09/845920909.db2.gz UNKFHDDDEIMPSK-UHFFFAOYSA-N 0 2 402.859 4.099 20 0 HIADLN O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(Br)s1 ZINC000016062181 846117985 /nfs/dbraw/zinc/11/79/85/846117985.db2.gz KZPHAZJNXIDNMI-UHFFFAOYSA-N 0 2 415.721 4.454 20 0 HIADLN CCn1c(=O)c2ccc(C(=O)N(C)Cc3cccc(Cl)c3Cl)cc2[nH]c1=S ZINC000017917390 846276677 /nfs/dbraw/zinc/27/66/77/846276677.db2.gz VIIQTVFBICVOCA-UHFFFAOYSA-N 0 2 422.337 4.284 20 0 HIADLN CC(=O)Nc1ccc(NS(=O)(=O)c2cccc3cc(C)cnc32)c(C(F)(F)F)c1 ZINC000024375852 846819081 /nfs/dbraw/zinc/81/90/81/846819081.db2.gz DWZIFJBNTRUJNS-UHFFFAOYSA-N 0 2 423.416 4.321 20 0 HIADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccccc1CCc1ccccc1 ZINC000030032340 847675105 /nfs/dbraw/zinc/67/51/05/847675105.db2.gz DYUAJIHLYWJTMO-UHFFFAOYSA-N 0 2 403.507 4.042 20 0 HIADLN CN(CC(=O)NCc1cccs1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436546937 861845747 /nfs/dbraw/zinc/84/57/47/861845747.db2.gz HXAJLCQXGHRLNK-UHFFFAOYSA-N 0 2 414.914 4.163 20 0 HIADLN O=C(NCCCc1nnc2n1CCCCC2)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436553025 861848761 /nfs/dbraw/zinc/84/87/61/861848761.db2.gz ZCKMHKZHAQVGKA-UHFFFAOYSA-N 0 2 424.932 4.393 20 0 HIADLN O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436606176 861867889 /nfs/dbraw/zinc/86/78/89/861867889.db2.gz QJZZCDZWJKAROH-HRAATJIYSA-N 0 2 403.931 4.497 20 0 HIADLN O=C(c1cc(Cl)cc(Br)c1O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000436634648 861876535 /nfs/dbraw/zinc/87/65/35/861876535.db2.gz HHIPWXMGWPIWLE-UHFFFAOYSA-N 0 2 408.679 4.443 20 0 HIADLN O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)c1cc(F)c(O)c(F)c1 ZINC000436636100 861877374 /nfs/dbraw/zinc/87/73/74/861877374.db2.gz XEKIADLLSCCUCV-NDEPHWFRSA-N 0 2 401.434 4.372 20 0 HIADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000436638731 861878222 /nfs/dbraw/zinc/87/82/22/861878222.db2.gz KMOKKTZYUPVMMU-HNNXBMFYSA-N 0 2 414.658 4.161 20 0 HIADLN N#CC(C(=O)COc1ccc(Br)cc1Cl)c1nc2ccccc2[nH]1 ZINC000041496853 848221233 /nfs/dbraw/zinc/22/12/33/848221233.db2.gz DVNOJNUJMNTYIJ-NSHDSACASA-N 0 2 404.651 4.234 20 0 HIADLN N#C[C@@H](C(=O)COc1ccc(Br)cc1Cl)c1nc2ccccc2[nH]1 ZINC000041496853 848221245 /nfs/dbraw/zinc/22/12/45/848221245.db2.gz DVNOJNUJMNTYIJ-NSHDSACASA-N 0 2 404.651 4.234 20 0 HIADLN Cc1ccc(-c2csc(C(C#N)C(=O)C[C@@H](NC(N)=O)c3ccccc3)n2)cc1 ZINC000041512221 848223843 /nfs/dbraw/zinc/22/38/43/848223843.db2.gz BJOBPSFRFVXKIY-ZWKOTPCHSA-N 0 2 404.495 4.095 20 0 HIADLN Cc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@@H](NC(N)=O)c3ccccc3)n2)cc1 ZINC000041512221 848223849 /nfs/dbraw/zinc/22/38/49/848223849.db2.gz BJOBPSFRFVXKIY-ZWKOTPCHSA-N 0 2 404.495 4.095 20 0 HIADLN N#C[C@H](C(=O)CCCNC(=O)C1CC1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000041538631 848229016 /nfs/dbraw/zinc/22/90/16/848229016.db2.gz SZPRZRSSXZRQJE-FBXSJCODSA-N 0 2 411.571 4.094 20 0 HIADLN N#CC(C(=O)COCc1nc2ccccc2s1)c1nc2ccccc2n1C(F)F ZINC000041558111 848232366 /nfs/dbraw/zinc/23/23/66/848232366.db2.gz KAAIYHVOUHWHIY-LBPRGKRZSA-N 0 2 412.421 4.434 20 0 HIADLN N#C[C@@H](C(=O)COCc1nc2ccccc2s1)c1nc2ccccc2n1C(F)F ZINC000041558111 848232369 /nfs/dbraw/zinc/23/23/69/848232369.db2.gz KAAIYHVOUHWHIY-LBPRGKRZSA-N 0 2 412.421 4.434 20 0 HIADLN COCc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2COC)c1O ZINC000436671438 861889992 /nfs/dbraw/zinc/88/99/92/861889992.db2.gz JESJWJNIVAGNHG-UHFFFAOYSA-N 0 2 420.465 4.190 20 0 HIADLN C[C@@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436710825 861899815 /nfs/dbraw/zinc/89/98/15/861899815.db2.gz ZQBHIVHDHZFDQF-QLJPJBMISA-N 0 2 401.331 4.291 20 0 HIADLN COc1ccc(Br)cc1NS(=O)(=O)c1ccccc1Br ZINC000044352174 848549382 /nfs/dbraw/zinc/54/93/82/848549382.db2.gz SZZUKANHJFWUQU-UHFFFAOYSA-N 0 2 421.110 4.021 20 0 HIADLN Cc1c(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)oc2c1C(=O)CCC2 ZINC000044984373 848618744 /nfs/dbraw/zinc/61/87/44/848618744.db2.gz QEPZUGSFAAEMMQ-UHFFFAOYSA-N 0 2 412.442 4.049 20 0 HIADLN C=CCn1c(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccccc3Cl)cc2[nH]c1=S ZINC000045248594 848652598 /nfs/dbraw/zinc/65/25/98/848652598.db2.gz HHNXEPKZFGORHR-ZDUSSCGKSA-N 0 2 413.930 4.358 20 0 HIADLN O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1cc(F)cc(Cl)c1O ZINC000436780505 861973098 /nfs/dbraw/zinc/97/30/98/861973098.db2.gz CZMXTXWOUUTVSM-UHFFFAOYSA-N 0 2 405.882 4.193 20 0 HIADLN C[C@H]1OCC[C@]12CN(C(=O)c1cc(-c3ccccc3)cc(Cl)c1O)C[C@@H](C)O2 ZINC000436808978 861995786 /nfs/dbraw/zinc/99/57/86/861995786.db2.gz NKAFIANJWMGTHW-HLFMIMNKSA-N 0 2 401.890 4.121 20 0 HIADLN O=C(c1cc(F)cc(Br)c1O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000436846977 862023605 /nfs/dbraw/zinc/02/36/05/862023605.db2.gz IUTBKUCWOFZAHA-UHFFFAOYSA-N 0 2 418.266 4.190 20 0 HIADLN CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(F)cc(Br)c1O ZINC000436850933 862030780 /nfs/dbraw/zinc/03/07/80/862030780.db2.gz JORDMSOLUFBUJG-UHFFFAOYSA-N 0 2 407.283 4.166 20 0 HIADLN COc1ccc(C[C@@H](C)CN(C)C(=O)c2cc(F)cc(Br)c2O)cc1 ZINC000436853467 862031766 /nfs/dbraw/zinc/03/17/66/862031766.db2.gz COUDVBMBWKORQM-GFCCVEGCSA-N 0 2 410.283 4.253 20 0 HIADLN C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2O)C[C@H](c2ccc(F)cc2)O1 ZINC000436854924 862032486 /nfs/dbraw/zinc/03/24/86/862032486.db2.gz GRNLKOZBWXJADM-QLJPJBMISA-N 0 2 412.230 4.035 20 0 HIADLN Cc1cccc(NC2CCN(C(=O)c3cc(F)cc(Br)c3O)CC2)c1 ZINC000436857874 862038322 /nfs/dbraw/zinc/03/83/22/862038322.db2.gz LSINDPOQXQDRQV-UHFFFAOYSA-N 0 2 407.283 4.319 20 0 HIADLN CC(C)CNC(=O)Cc1nc(=O)c2sc(-c3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000053851090 849768997 /nfs/dbraw/zinc/76/89/97/849768997.db2.gz RHTTZWINCBWYGS-UHFFFAOYSA-N 0 2 410.326 4.273 20 0 HIADLN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc(F)cc(Br)c1O ZINC000436888240 862066626 /nfs/dbraw/zinc/06/66/26/862066626.db2.gz RJXRMVQVDUWRJB-INIZCTEOSA-N 0 2 418.266 4.158 20 0 HIADLN COc1ccc(-c2nc(SCc3nc4ccccc4nc3C)[nH]c(=O)c2C#N)cc1 ZINC000054749354 849916728 /nfs/dbraw/zinc/91/67/28/849916728.db2.gz UPYSKXUSZFIBSR-UHFFFAOYSA-N 0 2 415.478 4.273 20 0 HIADLN O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cc(F)cc(Br)c1O ZINC000436895264 862071523 /nfs/dbraw/zinc/07/15/23/862071523.db2.gz WGMBRJZAVHIZGK-ZDUSSCGKSA-N 0 2 424.266 4.494 20 0 HIADLN C[C@H](NC(=O)c1c(O)cccc1F)c1ccccc1NC(=O)c1c(O)cccc1F ZINC000436897958 862074408 /nfs/dbraw/zinc/07/44/08/862074408.db2.gz DNIHTKRFDNBIOY-LBPRGKRZSA-N 0 2 412.392 4.119 20 0 HIADLN CCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)s1 ZINC000055580747 850061715 /nfs/dbraw/zinc/06/17/15/850061715.db2.gz RZQPPRVNTSBUGG-UHFFFAOYSA-N 0 2 405.501 4.026 20 0 HIADLN CCc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)s1 ZINC000055592673 850068297 /nfs/dbraw/zinc/06/82/97/850068297.db2.gz XNAKRJMGFQFJTL-UHFFFAOYSA-N 0 2 408.476 4.404 20 0 HIADLN O=S(=O)(Nc1cccc(Cl)c1-n1cccn1)c1ccccc1Br ZINC000055634013 850085440 /nfs/dbraw/zinc/08/54/40/850085440.db2.gz CTEWGUANOHBJNR-UHFFFAOYSA-N 0 2 412.696 4.089 20 0 HIADLN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1Cl ZINC000055648298 850093818 /nfs/dbraw/zinc/09/38/18/850093818.db2.gz IQKVHJWTPDOAEI-UHFFFAOYSA-N 0 2 416.877 4.337 20 0 HIADLN C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3oc4ccccc4c3C)cc2[nH]c1=S ZINC000057036141 850537552 /nfs/dbraw/zinc/53/75/52/850537552.db2.gz AWTPXCNSSVRMRG-AWEZNQCLSA-N 0 2 419.506 4.417 20 0 HIADLN O=S(=O)(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1c[nH]c2ncccc12 ZINC000057125952 850555325 /nfs/dbraw/zinc/55/53/25/850555325.db2.gz XPUYGJWIWOHJJK-UHFFFAOYSA-N 0 2 400.847 4.204 20 0 HIADLN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000436968358 862148562 /nfs/dbraw/zinc/14/85/62/862148562.db2.gz SZZPHCIHTJJMIP-UHFFFAOYSA-N 0 2 407.804 4.425 20 0 HIADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 ZINC000057690778 850698155 /nfs/dbraw/zinc/69/81/55/850698155.db2.gz CVVYJUGWFIKTKF-UHFFFAOYSA-N 0 2 424.450 4.066 20 0 HIADLN O=S(=O)(Nc1nc2c(cc(F)c(F)c2F)s1)c1ccccc1Br ZINC000057733949 850705750 /nfs/dbraw/zinc/70/57/50/850705750.db2.gz QOKQQSVAGBIBLN-UHFFFAOYSA-N 0 2 423.235 4.277 20 0 HIADLN CC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 ZINC000058704693 850896402 /nfs/dbraw/zinc/89/64/02/850896402.db2.gz PYVZTDGNRXVVJP-UHFFFAOYSA-N 0 2 412.536 4.114 20 0 HIADLN CCOc1ccc(-c2nc(NS(=O)(=O)c3cc(F)cc(F)c3)sc2C)cc1 ZINC000058707948 850897557 /nfs/dbraw/zinc/89/75/57/850897557.db2.gz BXMMRAJAMQPKRI-UHFFFAOYSA-N 0 2 410.467 4.018 20 0 HIADLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1C ZINC000060498071 851122203 /nfs/dbraw/zinc/12/22/03/851122203.db2.gz MOUCKBVNBQFVDP-UHFFFAOYSA-N 0 2 407.448 4.275 20 0 HIADLN Cc1cccc([C@@H]2CCCN2C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1 ZINC000060602168 851162893 /nfs/dbraw/zinc/16/28/93/851162893.db2.gz WTGXRSOXSVPIIO-NRFANRHFSA-N 0 2 419.481 4.359 20 0 HIADLN CC(C)COC(=O)Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000063181394 851629613 /nfs/dbraw/zinc/62/96/13/851629613.db2.gz MAPSSOHEBPFXQM-UHFFFAOYSA-N 0 2 400.859 4.484 20 0 HIADLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccccc1COc1ccccc1 ZINC000064476874 851907903 /nfs/dbraw/zinc/90/79/03/851907903.db2.gz QTGAQNNGUCZYSW-UHFFFAOYSA-N 0 2 411.479 4.161 20 0 HIADLN COc1ccc(OC)c(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000065094830 852062669 /nfs/dbraw/zinc/06/26/69/852062669.db2.gz ZAKHVWWLVOPXDZ-UHFFFAOYSA-N 0 2 402.248 4.109 20 0 HIADLN CN1CCN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)c2ccc(F)cc21 ZINC000437129195 862319218 /nfs/dbraw/zinc/31/92/18/862319218.db2.gz YLTCKHNJYWBPOG-UHFFFAOYSA-N 0 2 415.266 4.075 20 0 HIADLN COc1ccc(-c2csc(C(C#N)C(=O)Cc3c(C)nn(C(F)F)c3C)n2)cc1 ZINC000065492767 852157340 /nfs/dbraw/zinc/15/73/40/852157340.db2.gz SCFCUOSVBZYHRE-INIZCTEOSA-N 0 2 416.453 4.446 20 0 HIADLN COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3c(C)nn(C(F)F)c3C)n2)cc1 ZINC000065492767 852157346 /nfs/dbraw/zinc/15/73/46/852157346.db2.gz SCFCUOSVBZYHRE-INIZCTEOSA-N 0 2 416.453 4.446 20 0 HIADLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1cccc(OCc2cccnc2)c1 ZINC000071958258 852446517 /nfs/dbraw/zinc/44/65/17/852446517.db2.gz YTELGZDWUBAQTJ-UHFFFAOYSA-N 0 2 405.845 4.351 20 0 HIADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)s1)c1c(Cl)cccc1Cl ZINC000437166989 862361803 /nfs/dbraw/zinc/36/18/03/862361803.db2.gz LPIXNYHGWFVBAQ-UHFFFAOYSA-N 0 2 418.302 4.376 20 0 HIADLN O=C(c1ccc(O)cc1)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000097028943 852575242 /nfs/dbraw/zinc/57/52/42/852575242.db2.gz OODCPOBSJNXEHD-UHFFFAOYSA-N 0 2 409.873 4.171 20 0 HIADLN COc1ccc(-c2cc3[nH]c(CN4CCC[C@H]4c4cc(C)no4)nc(=O)c3s2)cc1 ZINC000110981904 853177988 /nfs/dbraw/zinc/17/79/88/853177988.db2.gz WRPMQZSNVUUEEZ-KRWDZBQOSA-N 0 2 422.510 4.294 20 0 HIADLN CCn1c(=O)c2ccc(C(=O)Nc3cccc(NC4CCCC4)c3)cc2[nH]c1=S ZINC000217232558 853861259 /nfs/dbraw/zinc/86/12/59/853861259.db2.gz SRDMKGWTAYRNFF-UHFFFAOYSA-N 0 2 408.527 4.312 20 0 HIADLN Cc1nc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000223574840 853878388 /nfs/dbraw/zinc/87/83/88/853878388.db2.gz RJWAITSGAWJQRL-UHFFFAOYSA-N 0 2 424.507 4.053 20 0 HIADLN Cc1c(S(=O)(=O)Nc2nc3ccsc3s2)cnn1-c1ccc(Cl)cc1 ZINC000437302458 862560794 /nfs/dbraw/zinc/56/07/94/862560794.db2.gz ARXYETGUSQHXEF-UHFFFAOYSA-N 0 2 410.933 4.306 20 0 HIADLN CCn1nc(C)c(S(=O)(=O)Nc2nc(C)c(Cc3cccc(Cl)c3)s2)c1C ZINC000437309523 862571690 /nfs/dbraw/zinc/57/16/90/862571690.db2.gz OBKOHAXUWONWJA-UHFFFAOYSA-N 0 2 424.979 4.330 20 0 HIADLN CCn1nc(C)c(S(=O)(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)c1C ZINC000437320631 862586549 /nfs/dbraw/zinc/58/65/49/862586549.db2.gz DEWLCPILEMKPOG-UHFFFAOYSA-N 0 2 415.563 4.112 20 0 HIADLN Cc1ccc(-n2nc(C(C)(C)C)cc2NS(=O)(=O)c2cnn(C(C)C)c2)cc1 ZINC000437324030 862590334 /nfs/dbraw/zinc/59/03/34/862590334.db2.gz NVKCEALOACPRCF-UHFFFAOYSA-N 0 2 401.536 4.056 20 0 HIADLN COc1ccc(Br)cc1S(=O)(=O)Nc1ncc(C(C)(C)C)s1 ZINC000437324227 862593012 /nfs/dbraw/zinc/59/30/12/862593012.db2.gz PUECMKVRKIKGEY-UHFFFAOYSA-N 0 2 405.339 4.013 20 0 HIADLN Cc1ccccc1-n1nc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)c2c1CCC2 ZINC000302971723 854703903 /nfs/dbraw/zinc/70/39/03/854703903.db2.gz DGWFLFLQFAJQCL-UHFFFAOYSA-N 0 2 418.888 4.360 20 0 HIADLN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000303096942 854757869 /nfs/dbraw/zinc/75/78/69/854757869.db2.gz FZYWAZIDODWOCT-UHFFFAOYSA-N 0 2 423.809 4.375 20 0 HIADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ncc(C(C)(C)C)s1 ZINC000437336998 862607867 /nfs/dbraw/zinc/60/78/67/862607867.db2.gz JZEYMQMSPJGZDL-UHFFFAOYSA-N 0 2 422.450 4.047 20 0 HIADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(/C=C\c3ccccc3)cs2)cc1C ZINC000437344857 862620755 /nfs/dbraw/zinc/62/07/55/862620755.db2.gz UVAIFQKORQQDDF-HJWRWDBZSA-N 0 2 414.508 4.209 20 0 HIADLN Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000303487584 854978359 /nfs/dbraw/zinc/97/83/59/854978359.db2.gz VHUQHDYKJBWMHD-UHFFFAOYSA-N 0 2 400.422 4.198 20 0 HIADLN O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1cncc(Br)c1 ZINC000315055362 855377787 /nfs/dbraw/zinc/37/77/87/855377787.db2.gz CHAAUZZAUUDFMS-UHFFFAOYSA-N 0 2 415.618 4.317 20 0 HIADLN O=S(=O)(Nc1ccc(OC(F)F)c(F)c1)c1ccc(Br)cc1F ZINC000322986557 855393277 /nfs/dbraw/zinc/39/32/77/855393277.db2.gz QMSADIVHMIFQOH-UHFFFAOYSA-N 0 2 414.174 4.130 20 0 HIADLN COCc1cccc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)c1 ZINC000409524387 855522563 /nfs/dbraw/zinc/52/25/63/855522563.db2.gz XUTODCYQYCSHRZ-UHFFFAOYSA-N 0 2 406.504 4.129 20 0 HIADLN CC(=O)c1cccc(S(=O)(=O)Nc2nc(C)c(Cc3ccccc3F)s2)c1 ZINC000409536433 855530564 /nfs/dbraw/zinc/53/05/64/855530564.db2.gz OCCVEVHCZFILBO-UHFFFAOYSA-N 0 2 404.488 4.185 20 0 HIADLN COCc1cccc(S(=O)(=O)Nc2nc(C)c(Cc3ccccc3F)s2)c1 ZINC000409538334 855531517 /nfs/dbraw/zinc/53/15/17/855531517.db2.gz VTMRXNCTBPEXEY-UHFFFAOYSA-N 0 2 406.504 4.129 20 0 HIADLN O=C(CCC(=O)c1cccs1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000409543876 855534682 /nfs/dbraw/zinc/53/46/82/855534682.db2.gz NXSVEGXPTRIABV-UHFFFAOYSA-N 0 2 423.267 4.036 20 0 HIADLN COc1ccccc1S(=O)(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000409574186 855547667 /nfs/dbraw/zinc/54/76/67/855547667.db2.gz MJLOWQOJKQSOCM-OAHLLOKOSA-N 0 2 400.525 4.225 20 0 HIADLN CC(=O)c1cccc(S(=O)(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1 ZINC000409577170 855549544 /nfs/dbraw/zinc/54/95/44/855549544.db2.gz YXRCLDFWSUWOHN-QGZVFWFLSA-N 0 2 412.536 4.419 20 0 HIADLN O=S(=O)(Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000409584744 855552925 /nfs/dbraw/zinc/55/29/25/855552925.db2.gz LPQZICJGADLQTI-UHFFFAOYSA-N 0 2 415.824 4.404 20 0 HIADLN O=S(=O)(Nc1ccnn1Cc1ccc(Cl)cc1)c1cccc(Cl)c1F ZINC000409598332 855558943 /nfs/dbraw/zinc/55/89/43/855558943.db2.gz YBJBAEUOZYYSSZ-UHFFFAOYSA-N 0 2 400.262 4.178 20 0 HIADLN O=S(=O)(Nc1nc2cc(F)c(F)cc2s1)c1ccc(Br)s1 ZINC000409627210 855571799 /nfs/dbraw/zinc/57/17/99/855571799.db2.gz KLOHKIYVBRZBPC-UHFFFAOYSA-N 0 2 411.274 4.199 20 0 HIADLN O=S(=O)(Nc1nc2cc(F)c(F)cc2s1)c1cccc(Br)c1 ZINC000409629037 855572609 /nfs/dbraw/zinc/57/26/09/855572609.db2.gz XWGRXUWEYCMVDN-UHFFFAOYSA-N 0 2 405.245 4.138 20 0 HIADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3ccccc3OC(F)F)sc2C1 ZINC000409662300 855590846 /nfs/dbraw/zinc/59/08/46/855590846.db2.gz APVNHRHCDFLECS-LLVKDONJSA-N 0 2 402.488 4.450 20 0 HIADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1 ZINC000437392507 862723695 /nfs/dbraw/zinc/72/36/95/862723695.db2.gz NYRFIFSGUCBGNR-UHFFFAOYSA-N 0 2 409.511 4.001 20 0 HIADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3cncnc3-c3ccccc3)c2)n1 ZINC000410331873 855933452 /nfs/dbraw/zinc/93/34/52/855933452.db2.gz BASUWTLFWOXBPJ-UHFFFAOYSA-N 0 2 408.508 4.376 20 0 HIADLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cccc(Br)c2F)c1 ZINC000410367323 855955111 /nfs/dbraw/zinc/95/51/11/855955111.db2.gz QTQPLQVKELTKQQ-UHFFFAOYSA-N 0 2 415.284 4.128 20 0 HIADLN Cc1ccnc(-c2cccc(NS(=O)(=O)c3cccc(Br)c3F)c2)n1 ZINC000410382631 855964338 /nfs/dbraw/zinc/96/43/38/855964338.db2.gz MJJAXTPYBUFZOP-UHFFFAOYSA-N 0 2 422.279 4.154 20 0 HIADLN CCn1ncc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1C(F)(F)F ZINC000410403435 855978093 /nfs/dbraw/zinc/97/80/93/855978093.db2.gz CRXUAIRKBYGKFZ-UHFFFAOYSA-N 0 2 405.442 4.163 20 0 HIADLN Cc1cnn([C@H]2CCCc3ccccc32)c1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000437399586 862745426 /nfs/dbraw/zinc/74/54/26/862745426.db2.gz YBFKPEGGTAMCPI-SFHVURJKSA-N 0 2 421.444 4.335 20 0 HIADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)c1 ZINC000437403674 862754267 /nfs/dbraw/zinc/75/42/67/862754267.db2.gz IBNRGMWHUPYMGE-UHFFFAOYSA-N 0 2 417.295 4.191 20 0 HIADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000437405544 862759430 /nfs/dbraw/zinc/75/94/30/862759430.db2.gz LMGZJBYXVWLJFL-UHFFFAOYSA-N 0 2 417.295 4.191 20 0 HIADLN CC(C)(C)c1cc(NS(=O)(=O)c2ccccc2C(C)(C)C)n(-c2ncccn2)n1 ZINC000437408213 862766030 /nfs/dbraw/zinc/76/60/30/862766030.db2.gz UOFMCCNBKGOKQU-UHFFFAOYSA-N 0 2 413.547 4.058 20 0 HIADLN Cc1ccc(S(=O)(=O)Nc2ccnn2[C@H](C)CC(C)C)cc1Br ZINC000437411733 862773979 /nfs/dbraw/zinc/77/39/79/862773979.db2.gz OJEWPMFVFAPMPB-CYBMUJFWSA-N 0 2 400.342 4.362 20 0 HIADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000427154934 856674617 /nfs/dbraw/zinc/67/46/17/856674617.db2.gz JWERSEXEKRXJMM-HZPDHXFCSA-N 0 2 404.557 4.120 20 0 HIADLN Cc1nc2ccc(S(=O)(=O)Nc3cc(F)ccc3OC[C@H]3CCCO3)cc2s1 ZINC000427206976 856713160 /nfs/dbraw/zinc/71/31/60/856713160.db2.gz SKNVYGZUIJLJCV-CQSZACIVSA-N 0 2 422.503 4.102 20 0 HIADLN CCn1cc(-c2[nH]ncc2C(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)cn1 ZINC000427235748 856728403 /nfs/dbraw/zinc/72/84/03/856728403.db2.gz ZDCLYYVDVYODLH-CYBMUJFWSA-N 0 2 405.424 4.236 20 0 HIADLN COc1cc(F)c(S(=O)(=O)Nc2ccc(-c3ccncc3)c(C)c2)cc1OC ZINC000427624868 856891268 /nfs/dbraw/zinc/89/12/68/856891268.db2.gz WHEAXXLSENBSCG-UHFFFAOYSA-N 0 2 402.447 4.014 20 0 HIADLN CCOC(=O)c1csc(NS(=O)(=O)c2c(C)sc3ccc(Cl)cc32)n1 ZINC000427650402 856896981 /nfs/dbraw/zinc/89/69/81/856896981.db2.gz HDGURKUGYNXIPV-UHFFFAOYSA-N 0 2 416.933 4.297 20 0 HIADLN Cc1nc2ccc(S(=O)(=O)Nc3nc4c(cc(F)c(F)c4F)s3)cc2s1 ZINC000427791113 856955139 /nfs/dbraw/zinc/95/51/39/856955139.db2.gz VYCZUWSIVWXVRO-UHFFFAOYSA-N 0 2 415.443 4.433 20 0 HIADLN Cc1nc2ccc(S(=O)(=O)Nc3nnc(Cc4ccc(Cl)cc4)o3)cc2s1 ZINC000427802910 856962720 /nfs/dbraw/zinc/96/27/20/856962720.db2.gz XKKIRSDHXVUFMK-UHFFFAOYSA-N 0 2 420.903 4.033 20 0 HIADLN CC[C@@H](CO)N(Cc1ccccc1)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000429538800 857730637 /nfs/dbraw/zinc/73/06/37/857730637.db2.gz TYKFACDDPCBSGM-HNNXBMFYSA-N 0 2 416.934 4.085 20 0 HIADLN COCc1nc2cc(NS(=O)(=O)c3c(Cl)ccc(C)c3Cl)ccc2o1 ZINC000432362669 859121177 /nfs/dbraw/zinc/12/11/77/859121177.db2.gz NZUKPEYWASITEW-UHFFFAOYSA-N 0 2 401.271 4.390 20 0 HIADLN Cc1cccc(Oc2ccc(S(=O)(=O)Nc3cc([C@@H]4CCCO4)nn3C)cc2)c1 ZINC000432967150 859454192 /nfs/dbraw/zinc/45/41/92/859454192.db2.gz XAEWZVSOVJRBEV-FQEVSTJZSA-N 0 2 413.499 4.173 20 0 HIADLN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000433094970 859519308 /nfs/dbraw/zinc/51/93/08/859519308.db2.gz WTGADKYEGCMCCT-UHFFFAOYSA-N 0 2 402.892 4.266 20 0 HIADLN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)c1 ZINC000433174019 859554457 /nfs/dbraw/zinc/55/44/57/859554457.db2.gz LZGPXLXJLBMVLC-UHFFFAOYSA-N 0 2 408.888 4.051 20 0 HIADLN COc1cc(Br)c(S(=O)(=O)Nc2ccc(F)cc2OC)cc1Cl ZINC000433528683 859758455 /nfs/dbraw/zinc/75/84/55/859758455.db2.gz DZJNPDUEMPCYAL-UHFFFAOYSA-N 0 2 424.675 4.060 20 0 HIADLN O=C1CCCc2ccc(NS(=O)(=O)c3cc(Br)sc3Cl)cc21 ZINC000433598090 859803148 /nfs/dbraw/zinc/80/31/48/859803148.db2.gz CJAZAQIQNCARJJ-UHFFFAOYSA-N 0 2 420.737 4.484 20 0 HIADLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000433808712 859904766 /nfs/dbraw/zinc/90/47/66/859904766.db2.gz QQWNCOHUBRQWCS-UHFFFAOYSA-N 0 2 418.559 4.363 20 0 HIADLN COc1ccc(-c2noc([C@H](C)N3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)cc1 ZINC000434672051 860453889 /nfs/dbraw/zinc/45/38/89/860453889.db2.gz LHZCNBKOSRKGCU-INIZCTEOSA-N 0 2 407.518 4.219 20 0 HIADLN CC(C)(C)OC(=O)c1ccc(CSc2nc(=O)cc(O)n2C2CCCC2)cc1 ZINC000434887802 860536735 /nfs/dbraw/zinc/53/67/35/860536735.db2.gz OXKRNLYBVGNKLL-UHFFFAOYSA-N 0 2 402.516 4.312 20 0 HIADLN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000435169470 860675554 /nfs/dbraw/zinc/67/55/54/860675554.db2.gz WBLQRTFNXXDBCP-KEYYUXOJSA-N 0 2 420.560 4.129 20 0 HIADLN O=C1CCCc2cc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)ccc2N1 ZINC000435482813 860814666 /nfs/dbraw/zinc/81/46/66/860814666.db2.gz XVNQWCFOIDMIBZ-UHFFFAOYSA-N 0 2 403.262 4.208 20 0 HIADLN COC(=O)C(C)(C)c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435484211 860815721 /nfs/dbraw/zinc/81/57/21/860815721.db2.gz VNZGGEPYDMJXSO-UHFFFAOYSA-N 0 2 420.289 4.384 20 0 HIADLN CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435485011 860815908 /nfs/dbraw/zinc/81/59/08/860815908.db2.gz RXHAXMPYUCZGOE-UHFFFAOYSA-N 0 2 419.305 4.462 20 0 HIADLN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435496441 860821876 /nfs/dbraw/zinc/82/18/76/860821876.db2.gz KNSBGZZGSPZQCS-UHFFFAOYSA-N 0 2 419.305 4.319 20 0 HIADLN O=S(=O)(Nc1ccnn1CCc1ccccc1)c1c(Cl)cc(F)cc1Cl ZINC000435502668 860825555 /nfs/dbraw/zinc/82/55/55/860825555.db2.gz VWJVTLYRROXVFY-UHFFFAOYSA-N 0 2 414.289 4.373 20 0 HIADLN O=S(=O)(Nc1ccc(-n2ccnc2)c(F)c1)c1c(Cl)cc(F)cc1Cl ZINC000435721524 861006598 /nfs/dbraw/zinc/00/65/98/861006598.db2.gz ISRQZOJOSIGLDR-UHFFFAOYSA-N 0 2 404.225 4.258 20 0 HIADLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)o1 ZINC000435895922 861153184 /nfs/dbraw/zinc/15/31/84/861153184.db2.gz BBNKXXPBIWYONY-UHFFFAOYSA-N 0 2 420.224 4.431 20 0 HIADLN COc1ccc(-c2cc3[nH]c(CN4CCOc5ccc(F)cc54)nc(=O)c3s2)cc1 ZINC000438522938 863947636 /nfs/dbraw/zinc/94/76/36/863947636.db2.gz IYNXCMLAUSBPBD-UHFFFAOYSA-N 0 2 423.469 4.198 20 0 HIADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000438725322 864207249 /nfs/dbraw/zinc/20/72/49/864207249.db2.gz QCFHHRIOZAQVMD-UHFFFAOYSA-N 0 2 418.858 4.115 20 0 HIADLN CCN(Cc1ccc(OC)c(OC)c1)C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000438883368 864369574 /nfs/dbraw/zinc/36/95/74/864369574.db2.gz POLYDUJCCGRQJF-UHFFFAOYSA-N 0 2 423.513 4.381 20 0 HIADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)=N1 ZINC000438897248 864379128 /nfs/dbraw/zinc/37/91/28/864379128.db2.gz POPATMZPFBUKFS-FQEVSTJZSA-N 0 2 411.889 4.007 20 0 HIADLN Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000438920802 864399191 /nfs/dbraw/zinc/39/91/91/864399191.db2.gz ODHQSEGFRXAGMI-HUUCEWRRSA-N 0 2 419.553 4.056 20 0 HIADLN COCCn1cc(S(=O)(=O)Nc2ccc(Sc3ccccc3Cl)cc2)cn1 ZINC000439054202 864504876 /nfs/dbraw/zinc/50/48/76/864504876.db2.gz ZGXXCRLEAROALI-UHFFFAOYSA-N 0 2 423.947 4.135 20 0 HIADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)s1 ZINC000439060718 864512087 /nfs/dbraw/zinc/51/20/87/864512087.db2.gz WKGXUXYCKZVBPO-UHFFFAOYSA-N 0 2 420.600 4.401 20 0 HIADLN CSc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cc1 ZINC000439250352 864667938 /nfs/dbraw/zinc/66/79/38/864667938.db2.gz UMASYLCZTNYWJM-UHFFFAOYSA-N 0 2 407.268 4.348 20 0 HIADLN Cc1cc(S(=O)(=O)Nc2ccccc2NC(=O)c2cccs2)c(F)cc1F ZINC000440299073 865556947 /nfs/dbraw/zinc/55/69/47/865556947.db2.gz XQVFUGSBVSSXIJ-UHFFFAOYSA-N 0 2 408.451 4.388 20 0 HIADLN CC(C)(C)c1nc(=NC(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)s[nH]1 ZINC000441220987 866295259 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HIADLN Cc1cc(S(=O)(=O)Nc2nnc(Cc3ccc4ccccc4c3)o2)c(F)cc1F ZINC000562487221 945088029 /nfs/dbraw/zinc/08/80/29/945088029.db2.gz MMHMIRFYUBUODU-UHFFFAOYSA-N 0 2 415.421 4.201 20 0 HIADLN O=S(=O)(Nc1nc2cc(F)c(F)cc2s1)c1ccc(OC(F)F)c(F)c1 ZINC000562503679 945094392 /nfs/dbraw/zinc/09/43/92/945094392.db2.gz CHINHKWUTAVYLU-UHFFFAOYSA-N 0 2 410.345 4.116 20 0 HIADLN CCn1nc(C)c(S(=O)(=O)Nc2ccc(Br)c3ccccc23)c1C ZINC000538012924 938462078 /nfs/dbraw/zinc/46/20/78/938462078.db2.gz WTRFZNPIXZKHRH-UHFFFAOYSA-N 0 2 408.321 4.236 20 0 HIADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538027298 938470975 /nfs/dbraw/zinc/47/09/75/938470975.db2.gz KWOHSVNPFRALSU-HZPDHXFCSA-N 0 2 418.881 4.071 20 0 HIADLN COCc1ccc(S(=O)(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)cc1 ZINC000538133332 938515597 /nfs/dbraw/zinc/51/55/97/938515597.db2.gz WIPBALBLJRWHKZ-UHFFFAOYSA-N 0 2 413.543 4.425 20 0 HIADLN Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000538822248 938720465 /nfs/dbraw/zinc/72/04/65/938720465.db2.gz JPMBLPFBXJZVDG-UHFFFAOYSA-N 0 2 421.551 4.365 20 0 HIADLN Cc1cc(C)c(CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c(C)c1 ZINC000539123420 938806302 /nfs/dbraw/zinc/80/63/02/938806302.db2.gz KYXJDXDESNSVCM-UHFFFAOYSA-N 0 2 415.540 4.050 20 0 HIADLN CCCN1Cc2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2C1 ZINC000539813549 938940338 /nfs/dbraw/zinc/94/03/38/938940338.db2.gz NONIFQGSHXJNEP-UHFFFAOYSA-N 0 2 400.422 4.112 20 0 HIADLN Cc1n[nH]c2cc(NS(=O)(=O)c3c(Cl)cc(F)cc3Br)ccc12 ZINC000539854723 938958834 /nfs/dbraw/zinc/95/88/34/938958834.db2.gz FXSYBIREENSTRI-UHFFFAOYSA-N 0 2 418.675 4.227 20 0 HIADLN Cc1[nH]nc2cc(NS(=O)(=O)c3c(Cl)cc(F)cc3Br)ccc12 ZINC000539854723 938958838 /nfs/dbraw/zinc/95/88/38/938958838.db2.gz FXSYBIREENSTRI-UHFFFAOYSA-N 0 2 418.675 4.227 20 0 HIADLN COc1cc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)cc(OC)c1C(C)C ZINC000541306901 939490410 /nfs/dbraw/zinc/49/04/10/939490410.db2.gz RJLDGBLTRYYMLN-UHFFFAOYSA-N 0 2 409.552 4.097 20 0 HIADLN O=S(=O)(Nc1cc(Cl)cc(Cl)c1O)c1ccc(F)cc1Br ZINC000541792919 939632726 /nfs/dbraw/zinc/63/27/26/939632726.db2.gz QHCTUGDUOYMOKJ-UHFFFAOYSA-N 0 2 415.067 4.401 20 0 HIADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1coc(-c2ccccc2)n1 ZINC000541797466 939634560 /nfs/dbraw/zinc/63/45/60/939634560.db2.gz JACGTAXCGYWXOV-UHFFFAOYSA-N 0 2 411.874 4.257 20 0 HIADLN CCCOc1ccc(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)cc1OCCC ZINC000563735432 945273778 /nfs/dbraw/zinc/27/37/78/945273778.db2.gz ZARZGYGNHYRDCL-UHFFFAOYSA-N 0 2 410.474 4.316 20 0 HIADLN CCOc1ccc([C@H]2CCCN2C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)cc1 ZINC000542687128 939854220 /nfs/dbraw/zinc/85/42/20/939854220.db2.gz XZUIXIBGTRTYCG-LJQANCHMSA-N 0 2 424.526 4.403 20 0 HIADLN Cc1c(Br)cccc1S(=O)(=O)Nc1cncnc1-c1ccccc1 ZINC000542713578 939856068 /nfs/dbraw/zinc/85/60/68/939856068.db2.gz SGRDQMYTQLYHBX-UHFFFAOYSA-N 0 2 404.289 4.015 20 0 HIADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000542726322 939857134 /nfs/dbraw/zinc/85/71/34/939857134.db2.gz BIZLJXIJRWQSMG-DOTOQJQBSA-N 0 2 414.918 4.180 20 0 HIADLN CCOc1ccccc1CN(C)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000542727639 939857386 /nfs/dbraw/zinc/85/73/86/939857386.db2.gz HQDLTDQIAXAZOZ-UHFFFAOYSA-N 0 2 402.907 4.343 20 0 HIADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NC1CCN(c2ccccc2)CC1 ZINC000542729845 939857470 /nfs/dbraw/zinc/85/74/70/939857470.db2.gz PUDYPEFHIUQVHS-UHFFFAOYSA-N 0 2 413.934 4.071 20 0 HIADLN Cc1nc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)c(-c2ccccc2)o1 ZINC000542763885 939859708 /nfs/dbraw/zinc/85/97/08/939859708.db2.gz ROMGREYGGOJJEN-UHFFFAOYSA-N 0 2 424.258 4.450 20 0 HIADLN O=S(=O)(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(F)(F)F)nc1 ZINC000542936423 939881821 /nfs/dbraw/zinc/88/18/21/939881821.db2.gz KPLPQIFOXQJEOT-UHFFFAOYSA-N 0 2 413.352 4.228 20 0 HIADLN Cc1coc(-c2cc(NS(=O)(=O)c3c(C)nn(CC(C)C)c3C)ccc2C)n1 ZINC000543164012 939982593 /nfs/dbraw/zinc/98/25/93/939982593.db2.gz SCTDYJYRFSQASK-UHFFFAOYSA-N 0 2 402.520 4.229 20 0 HIADLN COc1cccc(-c2nc(=NC(=O)N3CC[C@@H](C)[C@H]3c3cccc(F)c3)s[nH]2)c1 ZINC000543615476 940132725 /nfs/dbraw/zinc/13/27/25/940132725.db2.gz WDLMZJCBKWUGDH-ACJLOTCBSA-N 0 2 412.490 4.390 20 0 HIADLN COc1cccc(-c2nc(=NC(=O)N3CCC(=Cc4ccccc4F)CC3)s[nH]2)c1 ZINC000543616909 940133482 /nfs/dbraw/zinc/13/34/82/940133482.db2.gz OOEVMYCAVLKKNN-UHFFFAOYSA-N 0 2 424.501 4.486 20 0 HIADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C)c3nc(C(C)(C)C)cs3)s[nH]2)c1 ZINC000543616385 940134037 /nfs/dbraw/zinc/13/40/37/940134037.db2.gz HHAOEXFKHXFPGB-NSHDSACASA-N 0 2 417.560 4.272 20 0 HIADLN O=c1[nH]nc(CSc2nc(-c3ccc(Br)cc3)nc3ccccc32)[nH]1 ZINC000543641814 940147171 /nfs/dbraw/zinc/14/71/71/940147171.db2.gz KUZUBOQHIDZHFP-UHFFFAOYSA-N 0 2 414.288 4.175 20 0 HIADLN COc1cc(C)c(NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1OC ZINC000543656760 940152414 /nfs/dbraw/zinc/15/24/14/940152414.db2.gz LUNUURDLISRWGH-UHFFFAOYSA-N 0 2 404.879 4.250 20 0 HIADLN O=S(=O)(Nc1ncc(C2CCCCC2)s1)c1cncc(Br)c1 ZINC000543860416 940213448 /nfs/dbraw/zinc/21/34/48/940213448.db2.gz ZZNHTCFZHQVJGL-UHFFFAOYSA-N 0 2 402.339 4.149 20 0 HIADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000544099123 940326050 /nfs/dbraw/zinc/32/60/50/940326050.db2.gz RPSMLOKROZCQJD-UHFFFAOYSA-N 0 2 400.504 4.144 20 0 HIADLN CC(C)NC(=O)Nc1cccc(-c2noc(-c3cccc(Br)c3O)n2)c1 ZINC000544177458 940344779 /nfs/dbraw/zinc/34/47/79/940344779.db2.gz MUBKSZHIPYCZLM-UHFFFAOYSA-N 0 2 417.263 4.402 20 0 HIADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CC[C@@H](COc2ccccc2)C1 ZINC000544636449 940495655 /nfs/dbraw/zinc/49/56/55/940495655.db2.gz MKXDZTFXZIMVEI-CQSZACIVSA-N 0 2 414.918 4.213 20 0 HIADLN CCCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)cc1 ZINC000544813725 940516589 /nfs/dbraw/zinc/51/65/89/940516589.db2.gz HFRPYNDZJLQLSW-UHFFFAOYSA-N 0 2 403.287 4.103 20 0 HIADLN CCc1cc(C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)c(C)nn1 ZINC000544817195 940517007 /nfs/dbraw/zinc/51/70/07/940517007.db2.gz MLMJSGDBPCSUGT-UHFFFAOYSA-N 0 2 417.494 4.332 20 0 HIADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCC[C@H](C)c2ccccc2)c(F)c1Cl ZINC000545458755 940570843 /nfs/dbraw/zinc/57/08/43/940570843.db2.gz PFZAPZDRBWYYQN-NSHDSACASA-N 0 2 416.877 4.049 20 0 HIADLN COc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c(C)c1 ZINC000545830275 940619832 /nfs/dbraw/zinc/61/98/32/940619832.db2.gz VNVLMVKJQCSILZ-UHFFFAOYSA-N 0 2 411.405 4.009 20 0 HIADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(F)c(Br)cc1C ZINC000546021301 940676144 /nfs/dbraw/zinc/67/61/44/940676144.db2.gz VIDVMLYAQQJENB-UHFFFAOYSA-N 0 2 404.305 4.092 20 0 HIADLN CN(C)c1nc2cc(-c3noc(-c4cccc(Br)c4O)n3)ccc2o1 ZINC000546530717 940845319 /nfs/dbraw/zinc/84/53/19/940845319.db2.gz OVVITEGZLBSMFE-UHFFFAOYSA-N 0 2 401.220 4.079 20 0 HIADLN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1cc(Cl)cc(Cl)c1O ZINC000546858753 940896747 /nfs/dbraw/zinc/89/67/47/940896747.db2.gz HARDXENBJIIYEU-UHFFFAOYSA-N 0 2 424.309 4.469 20 0 HIADLN COc1cc(Br)cc(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)c1 ZINC000546887378 940901807 /nfs/dbraw/zinc/90/18/07/940901807.db2.gz 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O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@H]1CCOc2ccc(F)cc21 ZINC000548080285 941085822 /nfs/dbraw/zinc/08/58/22/941085822.db2.gz HIPKQHOWWOEQJO-AWEZNQCLSA-N 0 2 404.854 4.065 20 0 HIADLN CC(C)Oc1cccc([C@@H](C)NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000548180268 941091071 /nfs/dbraw/zinc/09/10/71/941091071.db2.gz CMYYPAKRGFZSQB-CYBMUJFWSA-N 0 2 400.504 4.087 20 0 HIADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000549729125 941205849 /nfs/dbraw/zinc/20/58/49/941205849.db2.gz IPFGGTZTSVXEBS-UHFFFAOYSA-N 0 2 415.291 4.165 20 0 HIADLN CC(C)[C@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc(C(C)(C)C)cc1 ZINC000549737196 941206036 /nfs/dbraw/zinc/20/60/36/941206036.db2.gz ZJODSLYHKQWKLE-INIZCTEOSA-N 0 2 416.591 4.007 20 0 HIADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)[C@H](c1ccccc1)C1CC1 ZINC000550110830 941285648 /nfs/dbraw/zinc/28/56/48/941285648.db2.gz UOQFDFBDJNUIRE-LADGPHEKSA-N 0 2 417.553 4.420 20 0 HIADLN Cc1ccc(Br)cc1S(=O)(=O)Nc1ccnn1[C@@H](C)CC(C)C ZINC000550437557 941327265 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420.846 4.046 20 0 HIADLN O=S(=O)(Nc1nnc(SCc2cccs2)s1)c1cc(Cl)ccc1F ZINC000556302598 942836548 /nfs/dbraw/zinc/83/65/48/942836548.db2.gz BEXZNBYSCUSKPV-UHFFFAOYSA-N 0 2 421.953 4.485 20 0 HIADLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000556539947 942894668 /nfs/dbraw/zinc/89/46/68/942894668.db2.gz URDANUPNXUTRAU-UONOGXRCSA-N 0 2 401.239 4.116 20 0 HIADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1coc(C2CCCC2)n1 ZINC000556777818 942931696 /nfs/dbraw/zinc/93/16/96/942931696.db2.gz BKCSIHGROWPVOW-IBGZPJMESA-N 0 2 422.529 4.185 20 0 HIADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(C(F)(F)F)c(C)c3)o2)s1 ZINC000558597098 943613375 /nfs/dbraw/zinc/61/33/75/943613375.db2.gz WWGQSLIRQOYSBL-UHFFFAOYSA-N 0 2 403.407 4.235 20 0 HIADLN CN(C)c1ccc(S(=O)(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cn2)cn1 ZINC000558599859 943614158 /nfs/dbraw/zinc/61/41/58/943614158.db2.gz UIOOXFMRVWHJCM-UHFFFAOYSA-N 0 2 422.432 4.029 20 0 HIADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2F)c2ccccc12 ZINC000559184408 943864910 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CC[C@@H](NCc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[nH]1)c1nccs1 ZINC000567281901 946289896 /nfs/dbraw/zinc/28/98/96/946289896.db2.gz TVXHDSHJPNRPFD-CQSZACIVSA-N 0 2 412.540 4.358 20 0 HIADLN CC[C@@H]([NH2+]Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1)c1nccs1 ZINC000567281901 946289913 /nfs/dbraw/zinc/28/99/13/946289913.db2.gz TVXHDSHJPNRPFD-CQSZACIVSA-N 0 2 412.540 4.358 20 0 HIADLN O=S(=O)(Nc1cccc2c1CN(c1nccs1)C2)c1cc(Cl)ccc1F ZINC000569946733 947047351 /nfs/dbraw/zinc/04/73/51/947047351.db2.gz LSXQYGAUSINDKK-UHFFFAOYSA-N 0 2 409.895 4.257 20 0 HIADLN O=S(=O)(Cc1ccccc1C(F)(F)F)c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000570126795 947106151 /nfs/dbraw/zinc/10/61/51/947106151.db2.gz LYNJGKGKVBRZGK-UHFFFAOYSA-N 0 2 401.797 4.118 20 0 HIADLN Cc1ccc(Cl)cc1N(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000570597738 947309057 /nfs/dbraw/zinc/30/90/57/947309057.db2.gz XAGSUIMBAIPOGE-UHFFFAOYSA-N 0 2 421.931 4.182 20 0 HIADLN COc1cc2c(cc1Cl)CN(C(=O)C1=NN(c3ccc(Cl)cc3)CC1=O)CC2 ZINC000570961567 947398537 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/nfs/dbraw/zinc/66/00/42/860660042.db2.gz PQUMSTXPJBZBRK-UHFFFAOYSA-N 0 2 422.812 4.127 20 0 HIADLN Cc1c(NS(=O)(=O)c2cc(Cl)sc2Cl)cnn1-c1ccccc1F ZINC000435141521 860661883 /nfs/dbraw/zinc/66/18/83/860661883.db2.gz PPPAQFPGJDOYRE-UHFFFAOYSA-N 0 2 406.291 4.489 20 0 HIADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccc2ccsc21 ZINC000467754270 881566372 /nfs/dbraw/zinc/56/63/72/881566372.db2.gz NSAOBSCKLWWBFQ-UHFFFAOYSA-N 0 2 415.521 4.411 20 0 HIADLN CCc1cc(=O)c2cc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)ccc2[nH]1 ZINC000435473513 860810899 /nfs/dbraw/zinc/81/08/99/860810899.db2.gz PVWLSXHOARIMAJ-UHFFFAOYSA-N 0 2 415.273 4.337 20 0 HIADLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435478806 860813873 /nfs/dbraw/zinc/81/38/73/860813873.db2.gz WVDRTWLGUBKQJF-UHFFFAOYSA-N 0 2 400.262 4.427 20 0 HIADLN CC(=O)N1CCCc2cc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)ccc21 ZINC000435484539 860816156 /nfs/dbraw/zinc/81/61/56/860816156.db2.gz QBEDBIFZBICVTH-UHFFFAOYSA-N 0 2 417.289 4.232 20 0 HIADLN Cc1ccc(NC(=O)N(C)C)cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000435487624 860817755 /nfs/dbraw/zinc/81/77/55/860817755.db2.gz TWTGNMYNKZYJIC-UHFFFAOYSA-N 0 2 419.400 4.047 20 0 HIADLN Cc1nc(-c2ccc(C)c(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)c2)n[nH]1 ZINC000435496574 860821890 /nfs/dbraw/zinc/82/18/90/860821890.db2.gz SNEDWHMUOWRJTH-UHFFFAOYSA-N 0 2 415.277 4.335 20 0 HIADLN Cc1cc(NS(=O)(=O)c2ccc(F)c(Br)c2)n(-c2ccccc2C)n1 ZINC000438795297 864287622 /nfs/dbraw/zinc/28/76/22/864287622.db2.gz XUOICCDNQULZAX-UHFFFAOYSA-N 0 2 424.295 4.192 20 0 HIADLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000438811387 864302566 /nfs/dbraw/zinc/30/25/66/864302566.db2.gz LIJHDBLFIGJWDB-UHFFFAOYSA-N 0 2 424.295 4.192 20 0 HIADLN COCCn1cc(S(=O)(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)cn1 ZINC000439043808 864495637 /nfs/dbraw/zinc/49/56/37/864495637.db2.gz XWJOFFKDFZQRBC-UHFFFAOYSA-N 0 2 423.947 4.135 20 0 HIADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC(c3ccc(OC)cc3)CC2)=N1 ZINC000439101180 864540936 /nfs/dbraw/zinc/54/09/36/864540936.db2.gz NTMTXMGHDJZKCQ-UHFFFAOYSA-N 0 2 405.498 4.169 20 0 HIADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)=N1 ZINC000439118299 864554225 /nfs/dbraw/zinc/55/42/25/864554225.db2.gz KLNQDNKAHNPERU-OAQYLSRUSA-N 0 2 419.525 4.004 20 0 HIADLN C[C@H](C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1ccccc1F ZINC000439243856 864661133 /nfs/dbraw/zinc/66/11/33/864661133.db2.gz DMYJGXOQHNPDTH-VIFPVBQESA-N 0 2 407.218 4.255 20 0 HIADLN C[C@H](C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1cccc(F)c1 ZINC000439250953 864667002 /nfs/dbraw/zinc/66/70/02/864667002.db2.gz WSGVJQNBBJXLAR-VIFPVBQESA-N 0 2 407.218 4.255 20 0 HIADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1cccc2ncccc21 ZINC000439254231 864672008 /nfs/dbraw/zinc/67/20/08/864672008.db2.gz UZFLMPCDPNJDKD-UHFFFAOYSA-N 0 2 412.222 4.174 20 0 HIADLN O=S(=O)(Nc1ccccc1OC[C@H]1CCCCO1)c1cnc2ccsc2c1 ZINC000439574407 864895521 /nfs/dbraw/zinc/89/55/21/864895521.db2.gz RYVXCVFRQOBUFN-CQSZACIVSA-N 0 2 404.513 4.045 20 0 HIADLN Cc1cc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c(F)cc1F ZINC000439873875 865183703 /nfs/dbraw/zinc/18/37/03/865183703.db2.gz AFCDRLXHOBFDAL-UHFFFAOYSA-N 0 2 415.874 4.170 20 0 HIADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)c1cn2ccnc2s1 ZINC000468019096 881855227 /nfs/dbraw/zinc/85/52/27/881855227.db2.gz FFMIMSRNOAWMNI-UHFFFAOYSA-N 0 2 419.491 4.381 20 0 HIADLN Cc1cc(S(=O)(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c(F)cc1F ZINC000440298418 865557631 /nfs/dbraw/zinc/55/76/31/865557631.db2.gz QFFYNYLFLOKIFC-UHFFFAOYSA-N 0 2 419.331 4.143 20 0 HIADLN Cc1ccc(/C=C/CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000440565399 865820873 /nfs/dbraw/zinc/82/08/73/865820873.db2.gz NLHPDZVSMGBKHV-NSCUHMNNSA-N 0 2 413.524 4.294 20 0 HIADLN Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cccc(C[NH+]3CCCC3)c2)c(C)c1 ZINC000442187627 867209916 /nfs/dbraw/zinc/20/99/16/867209916.db2.gz KSASPTVJPJRHCM-DEOSSOPVSA-N 0 2 402.542 4.267 20 0 HIADLN Cc1cc(N2CC[NH+]=C2[O-])ccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000442232656 867266610 /nfs/dbraw/zinc/26/66/10/867266610.db2.gz AXSLGFLETBWWLL-UHFFFAOYSA-N 0 2 413.543 4.373 20 0 HIADLN Cc1cc(N2CC[NH+]=C2[O-])ccc1NS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000442235838 867273185 /nfs/dbraw/zinc/27/31/85/867273185.db2.gz SHKQDYBDWRLPIM-UHFFFAOYSA-N 0 2 415.559 4.240 20 0 HIADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OCC)cc1C(F)(F)F ZINC000442328296 867329773 /nfs/dbraw/zinc/32/97/73/867329773.db2.gz QWBHFGOSFJZORS-UHFFFAOYSA-N 0 2 417.405 4.082 20 0 HIADLN Cc1csc(Nc2cccc(NS(=O)(=O)c3cnccc3C(F)(F)F)c2)n1 ZINC000442820974 867686607 /nfs/dbraw/zinc/68/66/07/867686607.db2.gz CQCATBMSFLRIKN-UHFFFAOYSA-N 0 2 414.434 4.410 20 0 HIADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000442848246 867696979 /nfs/dbraw/zinc/69/69/79/867696979.db2.gz MRGMYNRXIJQCME-UHFFFAOYSA-N 0 2 408.526 4.131 20 0 HIADLN Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4cc(F)c(F)c(F)c4)o3)cc2c1 ZINC000443155991 867846676 /nfs/dbraw/zinc/84/66/76/867846676.db2.gz KHBTYMANJOGVRY-UHFFFAOYSA-N 0 2 409.345 4.009 20 0 HIADLN O=S(=O)(Nc1ccc2c(c1)ncn2-c1ccccc1)c1cnccc1C(F)(F)F ZINC000443155242 867847044 /nfs/dbraw/zinc/84/70/44/867847044.db2.gz ICOARZGQQDFYQK-UHFFFAOYSA-N 0 2 418.400 4.240 20 0 HIADLN Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4cc(F)ccc4Cl)o3)cc2c1 ZINC000443162005 867851378 /nfs/dbraw/zinc/85/13/78/867851378.db2.gz XERZUELOQGGTEX-UHFFFAOYSA-N 0 2 407.810 4.385 20 0 HIADLN COCc1ccccc1S(=O)(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1OC ZINC000443422533 868006139 /nfs/dbraw/zinc/00/61/39/868006139.db2.gz LAPJUIKFGUZAKI-UHFFFAOYSA-N 0 2 423.494 4.186 20 0 HIADLN COc1cccc(C(=O)c2ccc(C(=O)N=c3nc(-c4ccsc4)[nH]s3)cc2)c1 ZINC000444002471 868521921 /nfs/dbraw/zinc/52/19/21/868521921.db2.gz FYTFAUVOAKSHOF-UHFFFAOYSA-N 0 2 421.503 4.180 20 0 HIADLN COCc1cccc2sc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)nc21 ZINC000444055220 868592892 /nfs/dbraw/zinc/59/28/92/868592892.db2.gz ZWNYPZAFUNMWHD-UHFFFAOYSA-N 0 2 420.409 4.401 20 0 HIADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)o2)c(C)o1 ZINC000444053556 868593321 /nfs/dbraw/zinc/59/33/21/868593321.db2.gz BSRUEMYJWUHMGS-UHFFFAOYSA-N 0 2 421.784 4.419 20 0 HIADLN Cc1cc(-c2nnc(NS(=O)(=O)c3cc(Cl)cc(C(F)(F)F)c3)o2)c(C)o1 ZINC000444066688 868601255 /nfs/dbraw/zinc/60/12/55/868601255.db2.gz YNSLVAPBKWCWGG-UHFFFAOYSA-N 0 2 421.784 4.419 20 0 HIADLN Cc1oc(-c2ccccc2)c(C(=O)NCc2nnc(COc3ccccc3)[nH]2)c1C ZINC000444334033 868760064 /nfs/dbraw/zinc/76/00/64/868760064.db2.gz FDXODPVVMUJAOA-UHFFFAOYSA-N 0 2 402.454 4.191 20 0 HIADLN COc1cccc(-c2nc(=NC(=O)c3c[nH]nc3-c3cc4ccccc4o3)s[nH]2)c1 ZINC000444692880 868961575 /nfs/dbraw/zinc/96/15/75/868961575.db2.gz CMMNVLGMOGOVPU-UHFFFAOYSA-N 0 2 417.450 4.024 20 0 HIADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)cc(Cl)c1 ZINC000468350266 882288615 /nfs/dbraw/zinc/28/86/15/882288615.db2.gz PYOZIAPGXMZHLZ-SNVBAGLBSA-N 0 2 408.278 4.347 20 0 HIADLN COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1cccc2ncccc21 ZINC000468386170 882332268 /nfs/dbraw/zinc/33/22/68/882332268.db2.gz WMAUMVVRMAZCBV-ZDUSSCGKSA-N 0 2 406.891 4.103 20 0 HIADLN O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc(F)c(O)c(F)c1 ZINC000446490016 870404497 /nfs/dbraw/zinc/40/44/97/870404497.db2.gz HCLKJHJYZGLBAN-UHFFFAOYSA-N 0 2 401.331 4.125 20 0 HIADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc4ccccc4c3)o2)c(C)c1C ZINC000446767362 870679925 /nfs/dbraw/zinc/67/99/25/870679925.db2.gz IDSDXNLTJHPZHV-UHFFFAOYSA-N 0 2 423.494 4.240 20 0 HIADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)o2)c(C)c1 ZINC000446767172 870680095 /nfs/dbraw/zinc/68/00/95/870680095.db2.gz CSAYUFPRFNJIIQ-UHFFFAOYSA-N 0 2 413.377 4.053 20 0 HIADLN COc1ccc(Oc2ccc(S(=O)(=O)Nc3nnc(CCC(C)C)o3)cc2)cc1 ZINC000446774527 870687456 /nfs/dbraw/zinc/68/74/56/870687456.db2.gz VBGKSRLWWDBMJB-UHFFFAOYSA-N 0 2 417.487 4.260 20 0 HIADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nnc(C[C@H](C)CC(C)(C)C)o2)cc1 ZINC000446775625 870690517 /nfs/dbraw/zinc/69/05/17/870690517.db2.gz KFLUGLCGOAMMOQ-AWEZNQCLSA-N 0 2 407.536 4.324 20 0 HIADLN O=S(=O)(Nc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccc(F)cc1Cl ZINC000446777264 870692855 /nfs/dbraw/zinc/69/28/55/870692855.db2.gz REHCPAGJVMZIEB-UHFFFAOYSA-N 0 2 413.883 4.270 20 0 HIADLN C[C@@H](Cc1nnc(NS(=O)(=O)c2ccccc2OC(F)(F)F)o1)CC(C)(C)C ZINC000446778651 870695819 /nfs/dbraw/zinc/69/58/19/870695819.db2.gz TUTLZACEWHPRMM-NSHDSACASA-N 0 2 421.441 4.384 20 0 HIADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3C)o2)c(C)c1 ZINC000446777856 870696113 /nfs/dbraw/zinc/69/61/13/870696113.db2.gz UHHBSOPHEFVVPM-UHFFFAOYSA-N 0 2 411.405 4.481 20 0 HIADLN O=C(Nc1cccc(CC(F)(F)F)c1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000446852540 870772862 /nfs/dbraw/zinc/77/28/62/870772862.db2.gz OUJPPBCOERCYSC-UHFFFAOYSA-N 0 2 407.175 4.381 20 0 HIADLN CC(C)Oc1ccc(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(F)c1 ZINC000446856627 870778230 /nfs/dbraw/zinc/77/82/30/870778230.db2.gz ITUBJTGACLFCPF-UHFFFAOYSA-N 0 2 401.221 4.203 20 0 HIADLN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000446858502 870780037 /nfs/dbraw/zinc/78/00/37/870780037.db2.gz SITAKXQCCUGYNC-UHFFFAOYSA-N 0 2 423.252 4.318 20 0 HIADLN CC(C)n1cc2cc(NC(=O)C(=O)Nc3cc(Cl)c(O)c(Cl)c3)ccc2n1 ZINC000446859792 870781502 /nfs/dbraw/zinc/78/15/02/870781502.db2.gz CUXGROFADPSDFW-UHFFFAOYSA-N 0 2 407.257 4.207 20 0 HIADLN Cc1ccnc(-c2cccc(NC(=O)C(=O)Nc3cc(Cl)c(O)c(Cl)c3)c2)n1 ZINC000446862169 870783406 /nfs/dbraw/zinc/78/34/06/870783406.db2.gz PSVINVRFQWRFDV-UHFFFAOYSA-N 0 2 417.252 4.042 20 0 HIADLN O=C(Nc1cccc(COCC2CC2)c1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000446862829 870785195 /nfs/dbraw/zinc/78/51/95/870785195.db2.gz SGFWVVVZBGTRQM-UHFFFAOYSA-N 0 2 409.269 4.203 20 0 HIADLN CCOc1ccc(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1Cl ZINC000446874354 870795900 /nfs/dbraw/zinc/79/59/00/870795900.db2.gz DADCUKDOKDXPBO-UHFFFAOYSA-N 0 2 403.649 4.328 20 0 HIADLN Cc1cc(C)n(-c2cccc(NC(=O)C(=O)Nc3cc(Cl)c(O)c(Cl)c3)c2)n1 ZINC000446878067 870799146 /nfs/dbraw/zinc/79/91/46/870799146.db2.gz SBBSBKSNHAKHSQ-UHFFFAOYSA-N 0 2 419.268 4.079 20 0 HIADLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc3ncsc3c2)o1)c1ccccc1 ZINC000446943681 870852660 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HIADLN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000520994989 928911513 /nfs/dbraw/zinc/91/15/13/928911513.db2.gz LDKHEYCLCUQBAM-UHFFFAOYSA-N 0 2 424.457 4.064 20 0 HIADLN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)Nc1nc(-c3ccccc3F)n[nH]1)O[C@H](C)C2 ZINC000521018409 928936957 /nfs/dbraw/zinc/93/69/57/928936957.db2.gz BCFSAYSRKSDNAK-ISTRZQFTSA-N 0 2 422.460 4.075 20 0 HIADLN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(F)cc1F ZINC000521025613 928941947 /nfs/dbraw/zinc/94/19/47/928941947.db2.gz QHCKNPSIOSBLLF-UHFFFAOYSA-N 0 2 406.376 4.385 20 0 HIADLN COc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2F)c1 ZINC000521530704 929276657 /nfs/dbraw/zinc/27/66/57/929276657.db2.gz KSUAPZPFHCCHAI-UHFFFAOYSA-N 0 2 414.458 4.196 20 0 HIADLN C[S@@](=O)Cc1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC000524548696 929678395 /nfs/dbraw/zinc/67/83/95/929678395.db2.gz TWLJVOWWIJTCTR-JOCHJYFZSA-N 0 2 412.747 4.326 20 0 HIADLN Cc1ccnc(-c2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)cc2)n1 ZINC000524549388 929678473 /nfs/dbraw/zinc/67/84/73/929678473.db2.gz ZVCOBLQSSHCEOG-UHFFFAOYSA-N 0 2 411.380 4.411 20 0 HIADLN Cc1ccsc1S(=O)(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000524640906 929752819 /nfs/dbraw/zinc/75/28/19/929752819.db2.gz YNWDKDHLXSMRQA-RUZDIDTESA-N 0 2 405.566 4.306 20 0 HIADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000524962585 929926864 /nfs/dbraw/zinc/92/68/64/929926864.db2.gz MAJBCWDYEGFXDT-NEPJUHHUSA-N 0 2 411.430 4.329 20 0 HIADLN CCn1nc(C)c(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)c1C ZINC000525007551 929970169 /nfs/dbraw/zinc/97/01/69/929970169.db2.gz CQLNNZRPBCHHGX-UHFFFAOYSA-N 0 2 414.462 4.268 20 0 HIADLN O=S(=O)(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cc(F)c(F)c(F)c1 ZINC000525533837 930308219 /nfs/dbraw/zinc/30/82/19/930308219.db2.gz XPWVLUAQNWTVGL-UHFFFAOYSA-N 0 2 419.730 4.499 20 0 HIADLN CC1(C)Cc2cccc(NS(=O)(=O)Cc3cc(-c4ccc(F)cc4)no3)c2O1 ZINC000530435991 930707911 /nfs/dbraw/zinc/70/79/11/930707911.db2.gz MKXYDNIKIFFXMZ-UHFFFAOYSA-N 0 2 402.447 4.136 20 0 HIADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000530684771 930797461 /nfs/dbraw/zinc/79/74/61/930797461.db2.gz HBZGZSRXAWNRTG-UHFFFAOYSA-N 0 2 418.563 4.400 20 0 HIADLN O=S(=O)(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc(C(F)(F)F)cc1 ZINC000531212380 930967898 /nfs/dbraw/zinc/96/78/98/930967898.db2.gz RBQGKIOHPQUQIU-UHFFFAOYSA-N 0 2 417.409 4.088 20 0 HIADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCC(c4ccc(O)cc4)CC3)=N2)c1 ZINC000531460401 931065712 /nfs/dbraw/zinc/06/57/12/931065712.db2.gz NJQYRXIUNAMFSX-UHFFFAOYSA-N 0 2 405.498 4.427 20 0 HIADLN C[C@@]1(c2ccccc2)CN(C(=O)c2cc(Cl)cc(Br)c2O)CCO1 ZINC000531599250 931116643 /nfs/dbraw/zinc/11/66/43/931116643.db2.gz CICXZVUNPWZLOQ-SFHVURJKSA-N 0 2 410.695 4.196 20 0 HIADLN COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000531952362 931262082 /nfs/dbraw/zinc/26/20/82/931262082.db2.gz ULWAEMVFTBJOKJ-ZDUSSCGKSA-N 0 2 415.129 4.111 20 0 HIADLN COc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)c(Br)c2)cc1OC ZINC000532037712 931293527 /nfs/dbraw/zinc/29/35/27/931293527.db2.gz LAOVLDILRFWCKN-UHFFFAOYSA-N 0 2 424.675 4.060 20 0 HIADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCO[C@@](C)(c4ccccc4)C3)=N2)cc1 ZINC000532102934 931312686 /nfs/dbraw/zinc/31/26/86/931312686.db2.gz KBLAHUGDPSZLIP-XMMPIXPASA-N 0 2 405.498 4.089 20 0 HIADLN CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000532155404 931331027 /nfs/dbraw/zinc/33/10/27/931331027.db2.gz VIAQTNPDLQTMOZ-PBHICJAKSA-N 0 2 407.561 4.033 20 0 HIADLN Cc1c(F)cccc1S(=O)(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000532703593 931597512 /nfs/dbraw/zinc/59/75/12/931597512.db2.gz AXWFSGGCAKRZCI-UHFFFAOYSA-N 0 2 413.496 4.218 20 0 HIADLN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cncc(Cl)c1 ZINC000533177026 931802658 /nfs/dbraw/zinc/80/26/58/931802658.db2.gz NCSBSAQLRNUJNF-UHFFFAOYSA-N 0 2 405.829 4.155 20 0 HIADLN O=S(=O)(Nc1nnc(SCc2ccc(F)cc2)s1)c1cccc(Cl)c1 ZINC000533200431 931807557 /nfs/dbraw/zinc/80/75/57/931807557.db2.gz XMMDYXINFVTMLK-UHFFFAOYSA-N 0 2 415.924 4.424 20 0 HIADLN CS[C@@H](C)CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000533799681 932037829 /nfs/dbraw/zinc/03/78/29/932037829.db2.gz SSPXCERNNKOYMN-NSHDSACASA-N 0 2 416.927 4.360 20 0 HIADLN Cc1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)ccc1Br ZINC000534057647 932235609 /nfs/dbraw/zinc/23/56/09/932235609.db2.gz OSNQQDNTHZMDOP-UHFFFAOYSA-N 0 2 422.295 4.348 20 0 HIADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000534567836 932570128 /nfs/dbraw/zinc/57/01/28/932570128.db2.gz KVGDQDJANAAIFR-UHFFFAOYSA-N 0 2 414.494 4.186 20 0 HIADLN CC(C)Cn1ncc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1C(F)F ZINC000534794367 932774605 /nfs/dbraw/zinc/77/46/05/932774605.db2.gz WUIANOUUVVMIJT-UHFFFAOYSA-N 0 2 413.368 4.176 20 0 HIADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1cccc2ccsc21 ZINC000534901578 932830188 /nfs/dbraw/zinc/83/01/88/932830188.db2.gz SERNQLJQZDOSJA-UHFFFAOYSA-N 0 2 402.497 4.059 20 0 HIADLN O=S(=O)(Nc1nnc(C(F)F)s1)c1ccc(OCC2CCCCC2)cc1 ZINC000535137695 932958354 /nfs/dbraw/zinc/95/83/54/932958354.db2.gz LECSIQWLRONQIL-UHFFFAOYSA-N 0 2 403.476 4.236 20 0 HIADLN CC(=O)c1ccc2c(c1)CCN(C(=O)C1=NN(c3cccc(C(C)C)c3)CC1=O)CC2 ZINC000535228711 933029273 /nfs/dbraw/zinc/02/92/73/933029273.db2.gz CGALQCMQWXGWKH-UHFFFAOYSA-N 0 2 417.509 4.145 20 0 HIADLN Cn1c2ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)cc2nc1C1CC1 ZINC000535507554 933200031 /nfs/dbraw/zinc/20/00/31/933200031.db2.gz LYPDXCTUAQNLCF-UHFFFAOYSA-N 0 2 411.405 4.150 20 0 HIADLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000535512413 933206223 /nfs/dbraw/zinc/20/62/23/933206223.db2.gz PEDBRAFVMIQLQB-UHFFFAOYSA-N 0 2 401.401 4.115 20 0 HIADLN CC(C)(C)c1nc(=NC(=O)c2ccc(Br)cc2C(F)(F)F)s[nH]1 ZINC000537339420 933724022 /nfs/dbraw/zinc/72/40/22/933724022.db2.gz AQTXVUACWKMLMJ-UHFFFAOYSA-N 0 2 408.243 4.291 20 0 HIADLN Cc1ccc(C2=CCN(C(=O)C3=NN(c4ccc(C(C)C)cc4)CC3=O)CC2)cn1 ZINC000537579637 938328741 /nfs/dbraw/zinc/32/87/41/938328741.db2.gz ODCYWMVBJZIGGB-UHFFFAOYSA-N 0 2 402.498 4.334 20 0 HIADLN O=C(Nc1ccccc1NC(=O)N1CCCC1)c1cccc(Br)c1O ZINC000537640218 938343603 /nfs/dbraw/zinc/34/36/03/938343603.db2.gz KFFGDSYIXJJEBV-UHFFFAOYSA-N 0 2 404.264 4.035 20 0 HIADLN O=C(Nc1ccccn1)c1cccc(NC(=O)c2cccc(Br)c2O)c1 ZINC000539840178 938954171 /nfs/dbraw/zinc/95/41/71/938954171.db2.gz HGDRDSSNLRITTK-UHFFFAOYSA-N 0 2 412.243 4.054 20 0 HIADLN COCc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cc1 ZINC000540334434 939198125 /nfs/dbraw/zinc/19/81/25/939198125.db2.gz KESKEDGWAOAUDB-UHFFFAOYSA-N 0 2 413.543 4.176 20 0 HIADLN O=S(=O)(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cc(F)ccc1Cl ZINC000540978946 939423352 /nfs/dbraw/zinc/42/33/52/939423352.db2.gz KFODNNKRCVWPMM-UHFFFAOYSA-N 0 2 419.787 4.484 20 0 HIADLN O=S(=O)(Nc1ncn(C2CCCCC2)n1)c1cc(C(F)(F)F)ccc1Cl ZINC000541289532 939489558 /nfs/dbraw/zinc/48/95/58/939489558.db2.gz SVLXNXGZIBFMQZ-UHFFFAOYSA-N 0 2 408.833 4.256 20 0 HIADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000541307890 939490496 /nfs/dbraw/zinc/49/04/96/939490496.db2.gz VVECHIGJNWPNRT-UHFFFAOYSA-N 0 2 405.564 4.416 20 0 HIADLN CC(C)(C)c1nc(=NC(=O)N2CCC[C@H]2c2ccc(Br)s2)s[nH]1 ZINC000541449067 939518898 /nfs/dbraw/zinc/51/88/98/939518898.db2.gz ZTBLGSVFZGJSTQ-VIFPVBQESA-N 0 2 415.382 4.451 20 0 HIADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000541795990 939633986 /nfs/dbraw/zinc/63/39/86/939633986.db2.gz BJQWGDFVAJNXRD-AWEZNQCLSA-N 0 2 418.906 4.087 20 0 HIADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000541796408 939634069 /nfs/dbraw/zinc/63/40/69/939634069.db2.gz IKKINQVWTIEAGN-INIZCTEOSA-N 0 2 418.881 4.025 20 0 HIADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000542237471 939770053 /nfs/dbraw/zinc/77/00/53/939770053.db2.gz WHUZZDUHKBNRTI-UHFFFAOYSA-N 0 2 420.579 4.250 20 0 HIADLN COc1cccc(-c2nc(=NC(=O)N3C[C@@H](C)C[C@H]3c3cccc(OC)c3)s[nH]2)c1 ZINC000543616119 940132535 /nfs/dbraw/zinc/13/25/35/940132535.db2.gz CCIMQDLJQZUDTE-LIRRHRJNSA-N 0 2 424.526 4.259 20 0 HIADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCCN(c2ccccc2)CC1 ZINC000543659350 940152862 /nfs/dbraw/zinc/15/28/62/940152862.db2.gz YFYCYRBTGGTPMV-UHFFFAOYSA-N 0 2 413.934 4.025 20 0 HIADLN Cc1c2cccc(Br)c2oc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000543854579 940210604 /nfs/dbraw/zinc/21/06/04/940210604.db2.gz GJDONLPPMFQPSQ-UHFFFAOYSA-N 0 2 415.272 4.091 20 0 HIADLN COc1cccc(-c2nc(=NC(=O)N3CCC[C@H]3Cc3ccc(F)cc3)s[nH]2)c1 ZINC000544597107 940486976 /nfs/dbraw/zinc/48/69/76/940486976.db2.gz NVKLILNVSDBTQJ-KRWDZBQOSA-N 0 2 412.490 4.014 20 0 HIADLN Cc1ccccc1[C@@H]1CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)CCO1 ZINC000544637434 940496133 /nfs/dbraw/zinc/49/61/33/940496133.db2.gz GFHXKYSTUREHHO-KRWDZBQOSA-N 0 2 414.918 4.194 20 0 HIADLN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3O)CCC(=O)N2C)cc1 ZINC000544814571 940516892 /nfs/dbraw/zinc/51/68/92/940516892.db2.gz AIELHRUYSDLXJI-KBXCAEBGSA-N 0 2 423.296 4.256 20 0 HIADLN C[C@@H](NS(=O)(=O)[C@H](C)C(F)(F)F)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000545363885 940565531 /nfs/dbraw/zinc/56/55/31/940565531.db2.gz ATPBUEDAZCTPAC-CHWSQXEVSA-N 0 2 405.413 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Cc1csc(-c2cccc(S(=O)(=O)Nc3cc(CC(C)(C)C)nn3C)c2)n1 ZINC000410328564 855931197 /nfs/dbraw/zinc/93/11/97/855931197.db2.gz OHBZPKQOCLJLRY-UHFFFAOYSA-N 0 2 404.561 4.241 20 0 HIADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3cn(C)nc3-c3ccccc3)c2)n1 ZINC000410333055 855934003 /nfs/dbraw/zinc/93/40/03/855934003.db2.gz OOEHFUMTJXKEPH-UHFFFAOYSA-N 0 2 410.524 4.320 20 0 HIADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3ccnn3-c3cccc(F)c3)c2)n1 ZINC000410338471 855937541 /nfs/dbraw/zinc/93/75/41/855937541.db2.gz SRLUGORLJFCJPR-UHFFFAOYSA-N 0 2 414.487 4.244 20 0 HIADLN Cc1cnn([C@@H]2CCCc3ccccc32)c1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000437399585 862746443 /nfs/dbraw/zinc/74/64/43/862746443.db2.gz YBFKPEGGTAMCPI-GOSISDBHSA-N 0 2 421.444 4.335 20 0 HIADLN O=S(=O)(Nc1ccc(C(F)(F)F)nc1)c1ccc(Cl)cc1Br ZINC000410389770 855968802 /nfs/dbraw/zinc/96/88/02/855968802.db2.gz WKOHVHMLVDLTBO-UHFFFAOYSA-N 0 2 415.618 4.317 20 0 HIADLN CCn1ncc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1C(F)(F)F ZINC000410402512 855977167 /nfs/dbraw/zinc/97/71/67/855977167.db2.gz IZGTVCOMRNHBKF-UHFFFAOYSA-N 0 2 421.750 4.395 20 0 HIADLN CC(C)c1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000426384663 856268425 /nfs/dbraw/zinc/26/84/25/856268425.db2.gz ZCUBFWRJHPNLQV-UHFFFAOYSA-N 0 2 415.540 4.344 20 0 HIADLN O=C(CCc1ccc(=O)[nH]c1)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000426457259 856299789 /nfs/dbraw/zinc/29/97/89/856299789.db2.gz YDYDBAUAQQKDDP-UHFFFAOYSA-N 0 2 418.478 4.091 20 0 HIADLN CCn1nc(C)c(S(=O)(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1C ZINC000437413685 862780496 /nfs/dbraw/zinc/78/04/96/862780496.db2.gz UDRYFDGGHUHQTN-UHFFFAOYSA-N 0 2 410.952 4.021 20 0 HIADLN CCn1nc(C)c(S(=O)(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)c1C ZINC000437415546 862783574 /nfs/dbraw/zinc/78/35/74/862783574.db2.gz WMZPJGDZAAYOQC-UHFFFAOYSA-N 0 2 405.332 4.237 20 0 HIADLN Cc1ccc(OCc2nc(C[NH2+][C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cs2)cc1 ZINC000426648305 856392160 /nfs/dbraw/zinc/39/21/60/856392160.db2.gz RRSRRHKWXOTERJ-OAQYLSRUSA-N 0 2 421.522 4.297 20 0 HIADLN Cc1nc(C[NH2+]Cc2cc(Br)cc(C)c2OC(F)F)sc1C(=O)[O-] ZINC000426707024 856423855 /nfs/dbraw/zinc/42/38/55/856423855.db2.gz ZDXIVPOQZMMIFZ-UHFFFAOYSA-N 0 2 421.263 4.112 20 0 HIADLN O=C([O-])[C@@H](CSCc1cccc2cccnc21)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000426737601 856444596 /nfs/dbraw/zinc/44/45/96/856444596.db2.gz OPMNSYHTEDQBEL-HXUWFJFHSA-N 0 2 419.506 4.366 20 0 HIADLN Cc1ccc(-c2ncc(C[NH2+][C@@H](C(=O)[O-])c3ccc(Br)cc3)s2)o1 ZINC000426800513 856485898 /nfs/dbraw/zinc/48/58/98/856485898.db2.gz NSWZSODCXLRLAA-OAHLLOKOSA-N 0 2 407.289 4.390 20 0 HIADLN COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2csc(-c3ccsc3)n2)c1OC ZINC000426807009 856489106 /nfs/dbraw/zinc/48/91/06/856489106.db2.gz LSLMDKWYLVIJSH-HNNXBMFYSA-N 0 2 404.513 4.194 20 0 HIADLN Cc1ccc(OCc2nc(C[NH2+][C@H](Cc3cc(C)cc(C)c3)C(=O)[O-])cs2)cc1 ZINC000426822804 856499011 /nfs/dbraw/zinc/49/90/11/856499011.db2.gz FTTDFYMEJYODCP-OAQYLSRUSA-N 0 2 410.539 4.433 20 0 HIADLN CC(C)Cn1ncc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1C1CC1 ZINC000427307817 856762986 /nfs/dbraw/zinc/76/29/86/856762986.db2.gz JWRGDBLJISXTKG-UHFFFAOYSA-N 0 2 421.416 4.255 20 0 HIADLN Cc1c(S(=O)(=O)Nc2ccc(C)c(OCc3cccc(Cl)c3)c2)cnn1C ZINC000427347112 856784853 /nfs/dbraw/zinc/78/48/53/856784853.db2.gz YYZOHXHMLVFFBW-UHFFFAOYSA-N 0 2 405.907 4.070 20 0 HIADLN CCc1c(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cnn1CCC(C)C ZINC000427351838 856788642 /nfs/dbraw/zinc/78/86/42/856788642.db2.gz IHPYJDKKEVMCOJ-UHFFFAOYSA-N 0 2 423.432 4.330 20 0 HIADLN Cc1nc2ccc(S(=O)(=O)Nc3nnc(Cc4ccccc4Cl)o3)cc2s1 ZINC000427776653 856949224 /nfs/dbraw/zinc/94/92/24/856949224.db2.gz XDLFFAPKEJJVBH-UHFFFAOYSA-N 0 2 420.903 4.033 20 0 HIADLN CCCc1c(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cnn1-c1ccc(C)cc1 ZINC000428280951 857139894 /nfs/dbraw/zinc/13/98/94/857139894.db2.gz PPOQFURLIXSCFN-UHFFFAOYSA-N 0 2 421.526 4.116 20 0 HIADLN CC(C)Cn1ncc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)c1-c1ccccc1 ZINC000428733448 857312781 /nfs/dbraw/zinc/31/27/81/857312781.db2.gz PWTKAUNOEPDFSM-UHFFFAOYSA-N 0 2 409.540 4.460 20 0 HIADLN CCN(C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1)[C@@H](C)Cc1ccsc1 ZINC000429539496 857732275 /nfs/dbraw/zinc/73/22/75/857732275.db2.gz LDYCLUKSKQOPDN-ZDUSSCGKSA-N 0 2 402.545 4.182 20 0 HIADLN O=S(=O)(Nc1ncn(C2CCCCC2)n1)c1cccc(Cl)c1Br ZINC000430048896 858011590 /nfs/dbraw/zinc/01/15/90/858011590.db2.gz ZHUXHVHISDGZDJ-UHFFFAOYSA-N 0 2 419.732 4.000 20 0 HIADLN Cc1ccc(-c2ncccc2NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)s1 ZINC000437658592 862996932 /nfs/dbraw/zinc/99/69/32/862996932.db2.gz GECOJCFPJMPXDF-UHFFFAOYSA-N 0 2 421.887 4.007 20 0 HIADLN CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)C1(C)C ZINC000430565085 858220276 /nfs/dbraw/zinc/22/02/76/858220276.db2.gz OIJCGQJCKSCJNZ-JQOQJDEVSA-N 0 2 406.482 4.110 20 0 HIADLN C[C@H](Cc1cccc(O)c1)NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430598267 858232689 /nfs/dbraw/zinc/23/26/89/858232689.db2.gz SKKOOTVNHLOTQW-MRXNPFEDSA-N 0 2 414.461 4.387 20 0 HIADLN O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1CCC([C@H]2CCCO2)CC1 ZINC000430606740 858234966 /nfs/dbraw/zinc/23/49/66/858234966.db2.gz ANQXZDQAJUDXOP-HSZRJFAPSA-N 0 2 418.493 4.352 20 0 HIADLN CCCOc1ccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000431320036 858562792 /nfs/dbraw/zinc/56/27/92/858562792.db2.gz XDCUBUUDQKEVTN-UHFFFAOYSA-N 0 2 421.569 4.420 20 0 HIADLN O=S(=O)(Nc1nnc(-c2ccccc2Cl)s1)c1cc(F)c(F)c(F)c1 ZINC000431345099 858573338 /nfs/dbraw/zinc/57/33/38/858573338.db2.gz QWKHZXIWAWVLBU-UHFFFAOYSA-N 0 2 405.810 4.077 20 0 HIADLN CCCc1c(NS(=O)(=O)c2ccc(F)c(F)c2F)cnn1-c1ccc(F)cc1 ZINC000432052708 858952385 /nfs/dbraw/zinc/95/23/85/858952385.db2.gz LSWDCCGJTABGCB-UHFFFAOYSA-N 0 2 413.396 4.182 20 0 HIADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000432054901 858953165 /nfs/dbraw/zinc/95/31/65/858953165.db2.gz NRJNBUWUYCKUBJ-UHFFFAOYSA-N 0 2 407.435 4.175 20 0 HIADLN O=S(=O)(Nc1ncc(-c2ccc(F)cc2)s1)c1cnccc1C(F)(F)F ZINC000432351820 859116047 /nfs/dbraw/zinc/11/60/47/859116047.db2.gz RCVMVMQWHSRXCS-UHFFFAOYSA-N 0 2 403.382 4.164 20 0 HIADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1Cl ZINC000432956419 859447684 /nfs/dbraw/zinc/44/76/84/859447684.db2.gz SBXRUOJVJBUPFY-UHFFFAOYSA-N 0 2 407.879 4.125 20 0 HIADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc1 ZINC000432970624 859455302 /nfs/dbraw/zinc/45/53/02/859455302.db2.gz KKVZPVIBQVJZQP-UHFFFAOYSA-N 0 2 419.453 4.005 20 0 HIADLN Cc1cnc(NS(=O)(=O)c2ccccc2OC(F)(F)F)nc1-c1ccccc1 ZINC000433147348 859540383 /nfs/dbraw/zinc/54/03/83/859540383.db2.gz YLGCABKSETYVJA-UHFFFAOYSA-N 0 2 409.389 4.151 20 0 HIADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)c1Cl ZINC000433527286 859756148 /nfs/dbraw/zinc/75/61/48/859756148.db2.gz ZTGRTDOQBKFSCV-UHFFFAOYSA-N 0 2 401.315 4.113 20 0 HIADLN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434759393 860484507 /nfs/dbraw/zinc/48/45/07/860484507.db2.gz VZYZKZACVDRKEU-OAHLLOKOSA-N 0 2 420.479 4.445 20 0 HIADLN O=C(Nc1nc2c(s1)CCCCCC2)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000434994144 860589105 /nfs/dbraw/zinc/58/91/05/860589105.db2.gz HNUFYWPDMVQUMN-UHFFFAOYSA-N 0 2 414.314 4.392 20 0 HIADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C)cn1 ZINC000467750000 881557806 /nfs/dbraw/zinc/55/78/06/881557806.db2.gz UHPBSOCKMAIRBY-UHFFFAOYSA-N 0 2 411.405 4.009 20 0 HIADLN O=S(=O)(Nc1ccc(F)cc1OC(F)F)c1cc(F)ccc1Br ZINC000435132166 860656147 /nfs/dbraw/zinc/65/61/47/860656147.db2.gz VKKXDJXZXSWIHB-UHFFFAOYSA-N 0 2 414.174 4.130 20 0 HIADLN Cc1c(NS(=O)(=O)c2ccc(Br)c(C)c2)cnn1-c1ccccc1 ZINC000435135199 860657394 /nfs/dbraw/zinc/65/73/94/860657394.db2.gz NASSWLVNGSYKGK-UHFFFAOYSA-N 0 2 406.305 4.052 20 0 HIADLN COc1cc(Cl)c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C)cc1Cl ZINC000435143427 860663326 /nfs/dbraw/zinc/66/33/26/860663326.db2.gz QHABYLIRWYYHRD-UHFFFAOYSA-N 0 2 412.298 4.297 20 0 HIADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1c2c(ccc1Cl)CC(C)(C)O2 ZINC000435326560 860738476 /nfs/dbraw/zinc/73/84/76/860738476.db2.gz JBVLWYMOZBFRKF-UHFFFAOYSA-N 0 2 418.906 4.428 20 0 HIADLN Cc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1C(=O)NC(C)C ZINC000435487309 860817844 /nfs/dbraw/zinc/81/78/44/860817844.db2.gz QLVGFICOUZNHPX-UHFFFAOYSA-N 0 2 419.305 4.380 20 0 HIADLN CC(C)c1nnc2ccc(NS(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)cn21 ZINC000438240904 863697030 /nfs/dbraw/zinc/69/70/30/863697030.db2.gz VMJRNXCNYFZZPP-UHFFFAOYSA-N 0 2 418.828 4.326 20 0 HIADLN CC(C)Cn1cc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 ZINC000438768647 864264693 /nfs/dbraw/zinc/26/46/93/864264693.db2.gz ZPHQNUNHNNGBPW-UHFFFAOYSA-N 0 2 415.359 4.378 20 0 HIADLN COc1ccc(OC(C)C)c(NS(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000438773493 864267805 /nfs/dbraw/zinc/26/78/05/864267805.db2.gz MYQYUVKHEUEDMR-UHFFFAOYSA-N 0 2 418.284 4.185 20 0 HIADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2O[C@H](C)c2ccccc2)cs1 ZINC000438776191 864271224 /nfs/dbraw/zinc/27/12/24/864271224.db2.gz HZKSPJPPPYKRJK-CQSZACIVSA-N 0 2 417.508 4.476 20 0 HIADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cccc(-c3cccs3)c2)cn1 ZINC000438777660 864271432 /nfs/dbraw/zinc/27/14/32/864271432.db2.gz PHFLXRLZWVBQTG-UHFFFAOYSA-N 0 2 411.508 4.410 20 0 HIADLN Cc1cc(Br)c(S(=O)(=O)Nc2cccc(F)c2)c(Br)c1 ZINC000438790262 864283455 /nfs/dbraw/zinc/28/34/55/864283455.db2.gz DKFYYQMRJSHYRQ-UHFFFAOYSA-N 0 2 423.101 4.460 20 0 HIADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)=N1 ZINC000438897253 864379883 /nfs/dbraw/zinc/37/98/83/864379883.db2.gz POPATMZPFBUKFS-HXUWFJFHSA-N 0 2 411.889 4.007 20 0 HIADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)=N1 ZINC000438903158 864383702 /nfs/dbraw/zinc/38/37/02/864383702.db2.gz OCHWRCCOSRYEHQ-GOSISDBHSA-N 0 2 421.497 4.135 20 0 HIADLN O=C(CCCc1cccs1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439247092 864664997 /nfs/dbraw/zinc/66/49/97/864664997.db2.gz MMWLVMURNHHZDR-UHFFFAOYSA-N 0 2 409.284 4.396 20 0 HIADLN Cc1ccc(NS(=O)(=O)c2cnc3ccsc3c2)c(-c2nc(C3CC3)no2)c1 ZINC000439564997 864889393 /nfs/dbraw/zinc/88/93/93/864889393.db2.gz CYCPLCVSVHNQNL-UHFFFAOYSA-N 0 2 412.496 4.333 20 0 HIADLN 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O=S(=O)(Nc1ccc2cccc(Br)c2n1)c1ccc2ncsc2c1 ZINC000479162748 894433485 /nfs/dbraw/zinc/43/34/85/894433485.db2.gz VUXZTWSGFNUKJJ-UHFFFAOYSA-N 0 2 420.313 4.408 20 0 HIADLN O=S(=O)(Nc1nnc(/C=C/c2ccco2)s1)c1c(Cl)cccc1Cl ZINC000479212294 894475711 /nfs/dbraw/zinc/47/57/11/894475711.db2.gz DVGQNHGWJBQWPW-VOTSOKGWSA-N 0 2 402.284 4.409 20 0 HIADLN O=S(=O)(Nc1nnc(/C=C/c2ccco2)s1)c1cc(Cl)sc1Cl ZINC000479223246 894484720 /nfs/dbraw/zinc/48/47/20/894484720.db2.gz VPUIQGVBSCCZTB-ONEGZZNKSA-N 0 2 408.313 4.471 20 0 HIADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000479481112 894804206 /nfs/dbraw/zinc/80/42/06/894804206.db2.gz QUALWWJIGONYGU-UHFFFAOYSA-N 0 2 405.907 4.070 20 0 HIADLN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C ZINC000479498899 894816749 /nfs/dbraw/zinc/81/67/49/894816749.db2.gz GPHFPRSVYPKAKF-CQSZACIVSA-N 0 2 404.507 4.115 20 0 HIADLN CN1Cc2cc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)ccc2NC1=O ZINC000479569104 894863764 /nfs/dbraw/zinc/86/37/64/894863764.db2.gz 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Cn1nccc1S(=O)(=O)Nc1ccc(-c2nc3cccc(Cl)c3s2)cc1 ZINC000432209141 859047769 /nfs/dbraw/zinc/04/77/69/859047769.db2.gz XQFSOAMUJFBULJ-UHFFFAOYSA-N 0 2 404.904 4.151 20 0 HIADLN O=C1Nc2ccc(S(=O)(=O)Nc3cnccc3-c3ccccc3)c3cccc1c23 ZINC000432356837 859117752 /nfs/dbraw/zinc/11/77/52/859117752.db2.gz KFCTUYCGULWYEE-UHFFFAOYSA-N 0 2 401.447 4.268 20 0 HIADLN O=C1CCCc2cc(S(=O)(=O)Nc3ncc(-c4ccc(F)cc4)s3)ccc2N1 ZINC000432355003 859118244 /nfs/dbraw/zinc/11/82/44/859118244.db2.gz CCTUXXIIMULWFU-UHFFFAOYSA-N 0 2 417.487 4.025 20 0 HIADLN COC(=O)c1nc(NS(=O)(=O)c2ccccc2-c2ccccc2)sc1C1CC1 ZINC000432365081 859123453 /nfs/dbraw/zinc/12/34/53/859123453.db2.gz PWJHDXCZHXNWJH-UHFFFAOYSA-N 0 2 414.508 4.275 20 0 HIADLN O=C(Nc1ccc(NS(=O)(=O)c2csc3ccc(Cl)cc32)cn1)C1CC1 ZINC000432386435 859137936 /nfs/dbraw/zinc/13/79/36/859137936.db2.gz IYXACIHPIZFPBH-UHFFFAOYSA-N 0 2 407.904 4.099 20 0 HIADLN O=S(=O)(Nc1nccc(-c2cncc(F)c2)n1)c1c(Cl)ccc2ccccc21 ZINC000433139431 859536826 /nfs/dbraw/zinc/53/68/26/859536826.db2.gz 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Cc1csc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1Cl ZINC000479902246 895249605 /nfs/dbraw/zinc/24/96/05/895249605.db2.gz KINQNQMROVGWQR-UHFFFAOYSA-N 0 2 413.933 4.220 20 0 HIADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1cc2[nH]ccc2s1 ZINC000479968463 895321569 /nfs/dbraw/zinc/32/15/69/895321569.db2.gz VSODANMQRKZYKN-UHFFFAOYSA-N 0 2 406.240 4.168 20 0 HIADLN CCc1c(NS(=O)(=O)c2cccc3ncccc32)cnn1-c1ccccc1Cl ZINC000480197533 895596033 /nfs/dbraw/zinc/59/60/33/895596033.db2.gz NJHXYBPSXFKYLF-UHFFFAOYSA-N 0 2 412.902 4.437 20 0 HIADLN CCCCn1ncc(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)c1C(C)C ZINC000480231958 895637992 /nfs/dbraw/zinc/63/79/92/895637992.db2.gz SGAXJWRIWPOMGT-UHFFFAOYSA-N 0 2 413.927 4.047 20 0 HIADLN CCCCn1ncc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1C(C)C ZINC000480234062 895641439 /nfs/dbraw/zinc/64/14/39/895641439.db2.gz WFODHJOYGVMIHT-UHFFFAOYSA-N 0 2 412.515 4.326 20 0 HIADLN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000481467125 896858609 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Cc1c2cc(Cl)ccc2oc1S(=O)(=O)Nc1nnc(Cc2ccccc2)o1 ZINC000481880180 897251886 /nfs/dbraw/zinc/25/18/86/897251886.db2.gz CEWNTOJLDWFBNL-UHFFFAOYSA-N 0 2 403.847 4.169 20 0 HIADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)c2ccccc12 ZINC000481987045 897382512 /nfs/dbraw/zinc/38/25/12/897382512.db2.gz VVGZBFGROHBRLQ-UHFFFAOYSA-N 0 2 410.282 4.301 20 0 HIADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(F)c2)c1Cl ZINC000483117527 898806946 /nfs/dbraw/zinc/80/69/46/898806946.db2.gz KWIRDHKNPBBAPH-UHFFFAOYSA-N 0 2 417.289 4.369 20 0 HIADLN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000483129208 898812020 /nfs/dbraw/zinc/81/20/20/898812020.db2.gz KSCKFBQZHKMPFR-APPDUMDISA-N 0 2 400.479 4.001 20 0 HIADLN CC(C)Oc1cc(F)ccc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000484153940 899775791 /nfs/dbraw/zinc/77/57/91/899775791.db2.gz BAIVVDTUBOOMDJ-UHFFFAOYSA-N 0 2 406.248 4.315 20 0 HIADLN CCOCCOCc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000485149047 900449002 /nfs/dbraw/zinc/44/90/02/900449002.db2.gz 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COc1cc(OC)c(S(=O)(=O)Nc2ccc(C)c(OCCC(C)C)c2)c(OC)c1 ZINC000488216744 902697759 /nfs/dbraw/zinc/69/77/59/902697759.db2.gz CEJREOQVXLLBFS-UHFFFAOYSA-N 0 2 423.531 4.247 20 0 HIADLN COc1cc(OC)c(NS(=O)(=O)c2cc(F)ccc2Cl)cc1Br ZINC000488358453 902780505 /nfs/dbraw/zinc/78/05/05/902780505.db2.gz XTFDALPPZIPJJF-UHFFFAOYSA-N 0 2 424.675 4.060 20 0 HIADLN O=S(=O)(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1cc(F)cc(Cl)c1 ZINC000488391263 902802409 /nfs/dbraw/zinc/80/24/09/902802409.db2.gz OTHLXFRBRBYFQZ-NSHDSACASA-N 0 2 420.289 4.349 20 0 HIADLN O=S(=O)(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1Cl ZINC000488411576 902815069 /nfs/dbraw/zinc/81/50/69/902815069.db2.gz MWZDRWSTWOKSLM-UHFFFAOYSA-N 0 2 400.312 4.237 20 0 HIADLN O=S(=O)(Nc1ncn(C2CCCCC2)n1)c1cc(Cl)ccc1OCCC1CC1 ZINC000488454442 902833062 /nfs/dbraw/zinc/83/30/62/902833062.db2.gz YUHLOVHXFZBDBL-UHFFFAOYSA-N 0 2 424.954 4.416 20 0 HIADLN CC(=O)Nc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000488468963 902840645 /nfs/dbraw/zinc/84/06/45/902840645.db2.gz 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