smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name F[C@]1(N2CC[C@]3(CCOC3)C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164389981 718807173 /nfs/dbraw/zinc/80/71/73/718807173.db2.gz MQUQMSGTCLADSH-SFTDATJTSA-N 0 0 437.346 4.034 20 0 IIADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164407009 718866902 /nfs/dbraw/zinc/86/69/02/718866902.db2.gz IJABLIJYRNJYDP-UHFFFAOYSA-N 0 0 447.873 4.125 20 0 IIADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@@H]3OCC(F)(F)[C@@H]3C2)c2ccccc21 ZINC001164426134 718926348 /nfs/dbraw/zinc/92/63/48/718926348.db2.gz WWXFFIHDPQIDRT-ZBFHGGJFSA-N 0 0 440.828 4.304 20 0 IIADRN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN([C@@H](F)c1ccnc(Cl)c1)CC2 ZINC001164427115 718953833 /nfs/dbraw/zinc/95/38/33/718953833.db2.gz ARHHUGMGQRHZPY-PZJWPPBQSA-N 0 0 431.939 4.200 20 0 IIADRN CCOC(=O)[C@]12CCO[C@H]1CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164432012 718979029 /nfs/dbraw/zinc/97/90/29/718979029.db2.gz DQEGOYHCUUPMEI-NHYWBVRUSA-N 0 0 429.678 4.135 20 0 IIADRN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164649405 719289651 /nfs/dbraw/zinc/28/96/51/719289651.db2.gz WNWWGLNYQQDMBA-ZMLRMANQSA-N 0 0 430.933 4.264 20 0 IIADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164645520 719291683 /nfs/dbraw/zinc/29/16/83/719291683.db2.gz JSNKKIIXJFIOAY-ZACQAIPSSA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164646491 719293436 /nfs/dbraw/zinc/29/34/36/719293436.db2.gz OAVJIPVSZDCHMS-SCTDSRPQSA-N 0 0 434.874 4.109 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164645477 719294194 /nfs/dbraw/zinc/29/41/94/719294194.db2.gz JEMUWGNSLAWNBH-QYZOEREBSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164656738 719295513 /nfs/dbraw/zinc/29/55/13/719295513.db2.gz YNWWTDWIVNVBKU-KEYYUXOJSA-N 0 0 446.281 4.161 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1nc3ccsc3c(Cl)n1)CC2 ZINC001164647846 719309047 /nfs/dbraw/zinc/30/90/47/719309047.db2.gz NVBTVFCDLLLJST-UHFFFAOYSA-N 0 0 440.951 4.291 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)CC2 ZINC001164649631 719312173 /nfs/dbraw/zinc/31/21/73/719312173.db2.gz PSYITCVVWBQMBE-UHFFFAOYSA-N 0 0 433.984 4.092 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(C(Cl)(Cl)Oc1ccc(Cl)nc1)CC2 ZINC001164655752 719318089 /nfs/dbraw/zinc/31/80/89/719318089.db2.gz XPVBJWUDCBXWTE-UHFFFAOYSA-N 0 0 432.783 4.100 20 0 IIADRN FC(F)(c1cccnc1Cl)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164651628 719322979 /nfs/dbraw/zinc/32/29/79/719322979.db2.gz HEJQIFHSBLLFNR-UHFFFAOYSA-N 0 0 445.901 4.423 20 0 IIADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)C[C@H]2CCCO[C@@H]21 ZINC001164653333 719324766 /nfs/dbraw/zinc/32/47/66/719324766.db2.gz HNXMBHQPRDURIH-BSIFCXSSSA-N 0 0 449.929 4.333 20 0 IIADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)C[C@@H]2CCCO[C@@H]12 ZINC001164655565 719325313 /nfs/dbraw/zinc/32/53/13/719325313.db2.gz QSWGPEHJDSYGBX-NYSBEXSLSA-N 0 0 449.929 4.333 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@H]21 ZINC001164662072 719343464 /nfs/dbraw/zinc/34/34/64/719343464.db2.gz MYHONEOJYFKPMT-MDZRGWNJSA-N 0 0 438.906 4.166 20 0 IIADRN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001164663243 719343816 /nfs/dbraw/zinc/34/38/16/719343816.db2.gz XFPGIKNFQJJTTH-SCTDSRPQSA-N 0 0 438.906 4.166 20 0 IIADRN CCSc1cncc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)n1 ZINC001164658060 719354515 /nfs/dbraw/zinc/35/45/15/719354515.db2.gz CXVHSIKZQXMYRF-UHFFFAOYSA-N 0 0 434.613 4.283 20 0 IIADRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)C2 ZINC001164662288 719360959 /nfs/dbraw/zinc/36/09/59/719360959.db2.gz AFZFUUYPYDHXPS-LLVKDONJSA-N 0 0 442.297 4.448 20 0 IIADRN CCOC[C@H]1CN(C(Cl)(Cl)Oc2ccc(Cl)nc2)Cc2nn(CC3CC3)cc21 ZINC001164662671 719364550 /nfs/dbraw/zinc/36/45/50/719364550.db2.gz DCHVEKKMCZZAKY-CQSZACIVSA-N 0 0 445.778 4.445 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2ccc4c(Cl)ccnc4n2)CC3)cc1 ZINC001164670198 719512238 /nfs/dbraw/zinc/51/22/38/719512238.db2.gz BNOIIXYIQPGURJ-UHFFFAOYSA-N 0 0 426.923 4.294 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2cc4c(Cl)ccnc4cn2)CC3)cc1 ZINC001164673983 719515098 /nfs/dbraw/zinc/51/50/98/719515098.db2.gz WXLRNPXIHTXCKD-UHFFFAOYSA-N 0 0 426.923 4.294 20 0 IIADRN CCc1cc2c(nc(Cl)nc2N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)[nH]1 ZINC001164672548 719519097 /nfs/dbraw/zinc/51/90/97/719519097.db2.gz KBOSUROIDLTMBY-UHFFFAOYSA-N 0 0 443.954 4.184 20 0 IIADRN O=C([C@@H]1C[C@@H]2OCC[C@H]2N(C(F)(F)c2ccc3c(ccnc3Cl)c2)C1)N1CCCC1 ZINC001164677870 719543327 /nfs/dbraw/zinc/54/33/27/719543327.db2.gz HRRYOYOODAQRMP-LZQZEXGQSA-N 0 0 435.902 4.039 20 0 IIADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001164676978 719568330 /nfs/dbraw/zinc/56/83/30/719568330.db2.gz SZFFEALZYQEPGV-UHFFFAOYSA-N 0 0 433.890 4.344 20 0 IIADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2ccc(Cl)nc2)CC3)cs1 ZINC001164683705 719592380 /nfs/dbraw/zinc/59/23/80/719592380.db2.gz IABIRCDNVHUSAR-UHFFFAOYSA-N 0 0 426.920 4.206 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1cc(Cl)ncc1Cl)C[C@H]2COc1cccnc1 ZINC001164684704 719595434 /nfs/dbraw/zinc/59/54/34/719595434.db2.gz JGZDHPDTVUFFQH-LBPRGKRZSA-N 0 0 440.281 4.245 20 0 IIADRN CC(C)Oc1ncnc2c1CCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)CC2 ZINC001164694320 719792248 /nfs/dbraw/zinc/79/22/48/719792248.db2.gz GHJMRIZTBHMDFC-UHFFFAOYSA-N 0 0 436.812 4.481 20 0 IIADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2cc(-c4ccco4)nnc2Cl)CC3)cn1 ZINC001164695151 719826610 /nfs/dbraw/zinc/82/66/10/719826610.db2.gz BUNDCKYWBBXWQU-CQSZACIVSA-N 0 0 449.889 4.212 20 0 IIADRN Clc1nc(-c2ccccc2)nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164695053 719890614 /nfs/dbraw/zinc/89/06/14/719890614.db2.gz JSVJSNGPGVGCOM-UHFFFAOYSA-N 0 0 441.988 4.125 20 0 IIADRN Cc1noc([C@@]23COC[C@@H]2CN(C(F)(F)c2cnc(Cl)c(-c4cccs4)c2)C3)n1 ZINC001164807416 720065234 /nfs/dbraw/zinc/06/52/34/720065234.db2.gz FKMGOIMASPPTMG-UGSOOPFHSA-N 0 0 438.887 4.104 20 0 IIADRN CSc1ccc(C(F)(F)N2CCc3c(ncn3C(C)C)[C@@H]2CNC(C)=O)nc1Cl ZINC001164723362 720315252 /nfs/dbraw/zinc/31/52/52/720315252.db2.gz OFRAWWVBZHEZGB-AWEZNQCLSA-N 0 0 443.951 4.019 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3F)[C@H]3CCCO[C@H]23)cs1 ZINC001164826076 720386763 /nfs/dbraw/zinc/38/67/63/720386763.db2.gz WKUIYAOUHVXOJE-LZWOXQAQSA-N 0 0 433.883 4.137 20 0 IIADRN Cc1nc(CO[C@H]2CN(C(F)(F)c3cc(C)cc(Cl)n3)[C@@H]3CCCO[C@@H]32)cs1 ZINC001164820482 720389623 /nfs/dbraw/zinc/38/96/23/720389623.db2.gz CDGYMJCJIUBTDI-VKJFTORMSA-N 0 0 429.920 4.306 20 0 IIADRN Cc1nc(CO[C@@H]2CN(c3nc(Cl)ccc3CN3CCCC3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164821738 720389954 /nfs/dbraw/zinc/38/99/54/720389954.db2.gz ILTHLGQBMDWOGA-QKNQBKEWSA-N 0 0 449.020 4.049 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C)[C@H]3CCCO[C@H]23)cs1 ZINC001164825347 720390030 /nfs/dbraw/zinc/39/00/30/720390030.db2.gz VBSRRWKZCMTNCF-JZXOWHBKSA-N 0 0 429.920 4.306 20 0 IIADRN Cc1nc(CO[C@H]2CN(C(F)(F)c3cc(C)cc(Cl)n3)[C@@H]3CCCO[C@H]32)cs1 ZINC001164820480 720390048 /nfs/dbraw/zinc/39/00/48/720390048.db2.gz CDGYMJCJIUBTDI-RVKKMQEKSA-N 0 0 429.920 4.306 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3C)[C@@H]3CCCO[C@H]23)cs1 ZINC001164821841 720390775 /nfs/dbraw/zinc/39/07/75/720390775.db2.gz JMJSDOZSWFMHAB-INMHGKMJSA-N 0 0 429.920 4.306 20 0 IIADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3nc4ccsc4c(Cl)n3)O2)n1 ZINC001164831518 720402388 /nfs/dbraw/zinc/40/23/88/720402388.db2.gz VUGMVBUIHZEJKT-UTUOFQBUSA-N 0 0 427.864 4.080 20 0 IIADRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3cc(-c4ccco4)nnc3Cl)O2)n1 ZINC001164830941 720408758 /nfs/dbraw/zinc/40/87/58/720408758.db2.gz SPNYIHUAUAUIMQ-IMJJTQAJSA-N 0 0 437.834 4.125 20 0 IIADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)C[C@@H]21 ZINC001164822510 720420037 /nfs/dbraw/zinc/42/00/37/720420037.db2.gz CUZNEJOZCOXWND-BRWVUGGUSA-N 0 0 437.918 4.047 20 0 IIADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@H]21 ZINC001164828563 720421535 /nfs/dbraw/zinc/42/15/35/720421535.db2.gz XKCCKIRZCOCVQX-VKJFTORMSA-N 0 0 437.918 4.047 20 0 IIADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cccc(Cl)n2)C3)c1 ZINC001164725793 720490039 /nfs/dbraw/zinc/49/00/39/720490039.db2.gz KGYMADSFIYATNT-YWZLYKJASA-N 0 0 441.881 4.143 20 0 IIADRN O[C@H]1CCN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)[C@H]1Cc1ccccc1 ZINC001164835410 720491965 /nfs/dbraw/zinc/49/19/65/720491965.db2.gz XVOYXQCXTOQETK-SFTDATJTSA-N 0 0 448.636 4.348 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)CC[C@H]21)N1CCCCC1 ZINC001164830364 720497559 /nfs/dbraw/zinc/49/75/59/720497559.db2.gz ARKVLOHMHWATMF-LXZKKBNFSA-N 0 0 448.341 4.177 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccnc(Cl)c3Cl)CC[C@@H]21)N1CCCCC1 ZINC001164832620 720497966 /nfs/dbraw/zinc/49/79/66/720497966.db2.gz KFLSRJOAFARHGS-YCPHGPKFSA-N 0 0 448.341 4.177 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164736172 720537946 /nfs/dbraw/zinc/53/79/46/720537946.db2.gz UZWQHEUHZKOGSZ-LIRRHRJNSA-N 0 0 427.854 4.269 20 0 IIADRN O=C(NCc1ccccc1)c1nc2c(s1)CCN([C@H](F)c1ccnc(Cl)c1)CC2 ZINC001164842467 720745865 /nfs/dbraw/zinc/74/58/65/720745865.db2.gz FCPUHAOXKJVIFZ-IBGZPJMESA-N 0 0 430.936 4.190 20 0 IIADRN O=C1CC[C@H]2[C@@H](CCN2C(F)(F)Cc2nc(Cl)cc(Cl)n2)N1c1ccccc1 ZINC001164844766 720765765 /nfs/dbraw/zinc/76/57/65/720765765.db2.gz CVKMJBXFHYCWPE-UONOGXRCSA-N 0 0 427.282 4.189 20 0 IIADRN O=C1CC[C@@H]2[C@H](CCN2C(F)(F)Cc2nc3c(ncnc3Cl)s2)N1c1ccccc1 ZINC001164844681 720769521 /nfs/dbraw/zinc/76/95/21/720769521.db2.gz CHWUEPPAJWLOKP-KGLIPLIRSA-N 0 0 449.914 4.145 20 0 IIADRN COc1ccc(C(F)(F)N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)nc1Cl ZINC001164849582 720774273 /nfs/dbraw/zinc/77/42/73/720774273.db2.gz UHIPFKAYECCFMH-IKGGRYGDSA-N 0 0 439.890 4.027 20 0 IIADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164844465 720774611 /nfs/dbraw/zinc/77/46/11/720774611.db2.gz BZOJNKJSLPEOIF-IPELMVKDSA-N 0 0 448.901 4.499 20 0 IIADRN COC[C@]12CCC[C@H]1CN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164846684 720791898 /nfs/dbraw/zinc/79/18/98/720791898.db2.gz KEDQSNMROBAJPY-BXKMTCNYSA-N 0 0 426.630 4.419 20 0 IIADRN COc1ccc(C(F)(F)N2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c(Cl)n1 ZINC001164850058 720807402 /nfs/dbraw/zinc/80/74/02/720807402.db2.gz IDZBXDARTDBXNB-OAQYLSRUSA-N 0 0 435.902 4.226 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)C[C@H](NC(=O)c1ccccc1)CCO2 ZINC001164860536 720899997 /nfs/dbraw/zinc/89/99/97/720899997.db2.gz RXUBSZIBEIFBLQ-UTKZUKDTSA-N 0 0 435.902 4.146 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164755803 720977092 /nfs/dbraw/zinc/97/70/92/720977092.db2.gz BXNPAQHNOKSWQL-OAHLLOKOSA-N 0 0 433.890 4.088 20 0 IIADRN FC(F)(c1cccc2c(Cl)ncnc21)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164758519 720980625 /nfs/dbraw/zinc/98/06/25/720980625.db2.gz VSTFXAGWSOJJCX-HNNXBMFYSA-N 0 0 433.890 4.088 20 0 IIADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@@H]21 ZINC001164756116 721005406 /nfs/dbraw/zinc/00/54/06/721005406.db2.gz FDWBOUNVSCIAIJ-IHPCNDPISA-N 0 0 431.870 4.249 20 0 IIADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@@H]21 ZINC001164756115 721005619 /nfs/dbraw/zinc/00/56/19/721005619.db2.gz FDWBOUNVSCIAIJ-HOJAQTOUSA-N 0 0 431.870 4.249 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164762446 721025639 /nfs/dbraw/zinc/02/56/39/721025639.db2.gz VWENOHNFYYXMMA-BEFAXECRSA-N 0 0 427.854 4.159 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164762449 721026118 /nfs/dbraw/zinc/02/61/18/721026118.db2.gz VWENOHNFYYXMMA-KXBFYZLASA-N 0 0 427.854 4.159 20 0 IIADRN Cc1nc(C(F)(F)N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc(Cl)c1C ZINC001164762934 721029496 /nfs/dbraw/zinc/02/94/96/721029496.db2.gz JFUKKBJJQOIDRP-YLJYHZDGSA-N 0 0 438.906 4.031 20 0 IIADRN CCn1nnc2c1CCN(C(F)(F)c1ccnc(Cl)c1)[C@@H]2COCc1ccccc1 ZINC001164759841 721047372 /nfs/dbraw/zinc/04/73/72/721047372.db2.gz QYSKWVRBPPHNDJ-GOSISDBHSA-N 0 0 433.890 4.212 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@@H]32)N=C1C ZINC001164869089 721228950 /nfs/dbraw/zinc/22/89/50/721228950.db2.gz BOZIVWDIIZEITD-LDBYXDLTSA-N 0 0 432.902 4.299 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C[C@@H]32)N=C1C ZINC001164875914 721232936 /nfs/dbraw/zinc/23/29/36/721232936.db2.gz YJYOKNRXASUFNF-UQASEVPWSA-N 0 0 432.902 4.299 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@@H]32)N=C1C ZINC001164872132 721236008 /nfs/dbraw/zinc/23/60/08/721236008.db2.gz JYBJSIZNZKPSBB-XXHMAFKTSA-N 0 0 448.901 4.405 20 0 IIADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164875075 721247421 /nfs/dbraw/zinc/24/74/21/721247421.db2.gz LVPJYSNCAXGQTF-DBVUQKKJSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164872247 721248046 /nfs/dbraw/zinc/24/80/46/721248046.db2.gz CSIHHRLOMXVSCQ-OLMNPRSZSA-N 0 0 434.874 4.362 20 0 IIADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3cccnc3Cl)C2)O1)c1ccccc1 ZINC001164878005 721253237 /nfs/dbraw/zinc/25/32/37/721253237.db2.gz RZFFTJKYUATZJN-UTKZUKDTSA-N 0 0 435.902 4.228 20 0 IIADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3ccc(Cl)nc3)C2)O1)c1ccccc1 ZINC001164876713 721253626 /nfs/dbraw/zinc/25/36/26/721253626.db2.gz PBHFPWHFZMDRHU-GHTZIAJQSA-N 0 0 435.902 4.228 20 0 IIADRN COc1ccc(C(F)(F)N2CCc3c(COCc4ccccn4)cncc3C2)c(Cl)n1 ZINC001164767420 721270461 /nfs/dbraw/zinc/27/04/61/721270461.db2.gz QXDOMWATSUJYFV-UHFFFAOYSA-N 0 0 446.885 4.358 20 0 IIADRN FC(F)(COc1cccc(Cl)n1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164769318 721270482 /nfs/dbraw/zinc/27/04/82/721270482.db2.gz XLHAEWRRNCSNNX-UHFFFAOYSA-N 0 0 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COc1ccc2c(Cl)cc(Cl)nc2c1N1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001165008996 721708153 /nfs/dbraw/zinc/70/81/53/721708153.db2.gz MPNMHSWTFXAMAZ-UHFFFAOYSA-N 0 0 449.386 4.392 20 0 IIADRN CCc1cc2c(nc(Cl)nc2N2CCc3c(CN(C)Cc4ccco4)cncc3C2)[nH]1 ZINC001164910839 721760145 /nfs/dbraw/zinc/76/01/45/721760145.db2.gz SPGNLORPMOLNNX-UHFFFAOYSA-N 0 0 436.947 4.356 20 0 IIADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@H](OCC2CC2)[C@@H]2COC[C@H]21 ZINC001165016525 721761068 /nfs/dbraw/zinc/76/10/68/721761068.db2.gz XFBCBWGMWDDJCJ-BMFZPTHFSA-N 0 0 430.282 4.112 20 0 IIADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1C[C@H](OCC2CC2)[C@@H]2COC[C@H]21 ZINC001165014722 721762352 /nfs/dbraw/zinc/76/23/52/721762352.db2.gz HWXHRWZRYLHNNY-BMFZPTHFSA-N 0 0 430.282 4.112 20 0 IIADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164916569 721807322 /nfs/dbraw/zinc/80/73/22/721807322.db2.gz RDXMMFSZFKFMJH-QRWLVFNGSA-N 0 0 432.858 4.040 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164914256 721807758 /nfs/dbraw/zinc/80/77/58/721807758.db2.gz BMKIUFGHMCCJOP-DYVFJYSZSA-N 0 0 432.254 4.025 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)CC1 ZINC001164918691 721820659 /nfs/dbraw/zinc/82/06/59/721820659.db2.gz GZNPTPNXLSNETP-UHFFFAOYSA-N 0 0 449.855 4.245 20 0 IIADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001165023857 721833114 /nfs/dbraw/zinc/83/31/14/721833114.db2.gz WWXOARYSLBFGRT-UHFFFAOYSA-N 0 0 431.245 4.044 20 0 IIADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1C[C@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164926136 721840638 /nfs/dbraw/zinc/84/06/38/721840638.db2.gz QFSCZGRCLABEOR-AVRDEDQJSA-N 0 0 445.897 4.498 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@H]21)NC1CCC1 ZINC001164930549 721895933 /nfs/dbraw/zinc/89/59/33/721895933.db2.gz BZWGKJHFGXDZOP-CVAIRZPRSA-N 0 0 449.929 4.333 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)CC[C@@H]21)NC1CCC1 ZINC001164932780 721896440 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436.581 4.068 20 0 IIADRN FC(F)(F)c1nnc(N2CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC2)s1 ZINC001165052925 721999465 /nfs/dbraw/zinc/99/94/65/721999465.db2.gz YTSSNSXNKGIVAM-UHFFFAOYSA-N 0 0 439.841 4.354 20 0 IIADRN COc1ccc(C(F)(F)N2C[C@H]3c4c(-c5ccccc5)nn(C)c4C[C@@H]3C2)c(Cl)n1 ZINC001164953736 722003923 /nfs/dbraw/zinc/00/39/23/722003923.db2.gz UFDLUPHKHMTAJJ-HUUCEWRRSA-N 0 0 430.886 4.465 20 0 IIADRN COc1ccc(C(F)(F)N2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)c(Cl)n1 ZINC001164953730 722004071 /nfs/dbraw/zinc/00/40/71/722004071.db2.gz UFDLUPHKHMTAJJ-CABCVRRESA-N 0 0 430.886 4.465 20 0 IIADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCN(CCc2ccccn2)CC1 ZINC001165054882 722017595 /nfs/dbraw/zinc/01/75/95/722017595.db2.gz HXQVRLOZEJVGPW-UHFFFAOYSA-N 0 0 435.931 4.163 20 0 IIADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN([C@H](F)Oc2ccnc(Cl)c2)C3)n1 ZINC001164964006 722026330 /nfs/dbraw/zinc/02/63/30/722026330.db2.gz UYTXENGGRREZKC-BAGYTPMASA-N 0 0 435.927 4.158 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cnc(Cl)cc1Cl ZINC001164963425 722028226 /nfs/dbraw/zinc/02/82/26/722028226.db2.gz SYIACLNPWVIMJQ-FMKPAKJESA-N 0 0 434.245 4.283 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001164957461 722029091 /nfs/dbraw/zinc/02/90/91/722029091.db2.gz MBFOSUFWGJTUKV-JJRVBVJISA-N 0 0 438.837 4.111 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3[C@H](Oc4ncccc4F)CC[C@H]32)c1 ZINC001164960889 722029520 /nfs/dbraw/zinc/02/95/20/722029520.db2.gz UYGBWQUOLZRIGQ-OAGGEKHMSA-N 0 0 445.894 4.351 20 0 IIADRN FC(F)(c1ccnc(Cl)n1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164956554 722049662 /nfs/dbraw/zinc/04/96/62/722049662.db2.gz AEQOSHPAKYCAOM-UHFFFAOYSA-N 0 0 441.873 4.164 20 0 IIADRN FC(F)(c1nccnc1Cl)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164959235 722049827 /nfs/dbraw/zinc/04/98/27/722049827.db2.gz QEZRHUDMICVEAH-UHFFFAOYSA-N 0 0 441.873 4.164 20 0 IIADRN O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)c1cccc2c(Cl)nccc21 ZINC001164966083 722065028 /nfs/dbraw/zinc/06/50/28/722065028.db2.gz OBPBJRKVKJRCQJ-SJORKVTESA-N 0 0 434.899 4.383 20 0 IIADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164969458 722082791 /nfs/dbraw/zinc/08/27/91/722082791.db2.gz OKWKBXHMEKMFFJ-UHFFFAOYSA-N 0 0 427.238 4.458 20 0 IIADRN CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)n1 ZINC001164974180 722091171 /nfs/dbraw/zinc/09/11/71/722091171.db2.gz NMGOKWHLFNZIDF-AWEZNQCLSA-N 0 0 444.979 4.310 20 0 IIADRN Cn1cc(N2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(C5CCCCC5)c4)C[C@@H]3C2=O)cn1 ZINC001164985610 722096469 /nfs/dbraw/zinc/09/64/69/722096469.db2.gz ZFJYKEYNVSWASO-BEFAXECRSA-N 0 0 449.933 4.160 20 0 IIADRN Cn1cc(N2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5CCCCC5)c4)C[C@H]3C2=O)cn1 ZINC001164985615 722096528 /nfs/dbraw/zinc/09/65/28/722096528.db2.gz ZFJYKEYNVSWASO-HNAYVOBHSA-N 0 0 449.933 4.160 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)C[C@@H]21 ZINC001164974432 722096855 /nfs/dbraw/zinc/09/68/55/722096855.db2.gz CWJHUXUFDKZVHI-HLLBOEOZSA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)C[C@@H]21 ZINC001164984883 722096946 /nfs/dbraw/zinc/09/69/46/722096946.db2.gz XODODSNABLWTDV-HLLBOEOZSA-N 0 0 441.309 4.479 20 0 IIADRN FC(F)(c1c2c(nnc1Cl)CCC2)N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164976964 722165783 /nfs/dbraw/zinc/16/57/83/722165783.db2.gz LTDANOFMVANLTO-KKSFZXQISA-N 0 0 441.950 4.498 20 0 IIADRN COc1cc(C(F)(F)N2CCC[C@]3(C[C@H](OCC4CCCC4)CO3)C2)nc(Cl)n1 ZINC001164977419 722166276 /nfs/dbraw/zinc/16/62/76/722166276.db2.gz NLMGVFHSHUZODC-KXBFYZLASA-N 0 0 431.911 4.018 20 0 IIADRN FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1C[C@H]2[C@H](C1)c1ccccc1[C@H]2OCC1CC1 ZINC001164979643 722171452 /nfs/dbraw/zinc/17/14/52/722171452.db2.gz VDLCKIKQGAQCSD-HLLBOEOZSA-N 0 0 431.874 4.204 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5ccc(F)cc54)CC[C@@H]32)cs1 ZINC001164988404 722176477 /nfs/dbraw/zinc/17/64/77/722176477.db2.gz QOEBAZYESBKYAQ-RBUKOAKNSA-N 0 0 447.967 4.057 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5c(F)cccc54)CC[C@H]32)cs1 ZINC001164985845 722180701 /nfs/dbraw/zinc/18/07/01/722180701.db2.gz BXGIEMHBDHDQII-QZTJIDSGSA-N 0 0 447.967 4.057 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(F)cc5ncnc(Cl)c54)CC[C@@H]32)cs1 ZINC001164987043 722184594 /nfs/dbraw/zinc/18/45/94/722184594.db2.gz ISLMZFBZCQQTQN-PKOBYXMFSA-N 0 0 447.967 4.057 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc5nc(Cl)cnc5cc4F)CC[C@H]32)cs1 ZINC001164988182 722185613 /nfs/dbraw/zinc/18/56/13/722185613.db2.gz MMWVBCPNTQOGBS-QUCCMNQESA-N 0 0 447.967 4.057 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc5nc(Cl)cnc5cc4F)CC[C@@H]32)cs1 ZINC001164988181 722185638 /nfs/dbraw/zinc/18/56/38/722185638.db2.gz MMWVBCPNTQOGBS-ICSRJNTNSA-N 0 0 447.967 4.057 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(C)nc(-c5cccs5)n4)CC[C@H]32)cs1 ZINC001164988999 722185749 /nfs/dbraw/zinc/18/57/49/722185749.db2.gz NRMNUXYLPKNGNV-RTBURBONSA-N 0 0 441.626 4.148 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(C)nc(-c5cccs5)n4)CC[C@@H]32)cs1 ZINC001164988997 722185754 /nfs/dbraw/zinc/18/57/54/722185754.db2.gz NRMNUXYLPKNGNV-OALUTQOASA-N 0 0 441.626 4.148 20 0 IIADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164993419 722187402 /nfs/dbraw/zinc/18/74/02/722187402.db2.gz ZJNDDCNDSMTEJS-CQSZACIVSA-N 0 0 436.330 4.035 20 0 IIADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164991832 722187448 /nfs/dbraw/zinc/18/74/48/722187448.db2.gz QBHPUGBKLKQBSE-CQSZACIVSA-N 0 0 436.330 4.035 20 0 IIADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)[C@@H]2C1 ZINC001164996947 722217339 /nfs/dbraw/zinc/21/73/39/722217339.db2.gz PAEBMJNFCYDMNL-GDIGMMSISA-N 0 0 441.950 4.057 20 0 IIADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3nccnc3Cl)CC2)c2ccccc21 ZINC001164998663 722220852 /nfs/dbraw/zinc/22/08/52/722220852.db2.gz LMSNEWMWHWDWKE-UHFFFAOYSA-N 0 0 444.913 4.136 20 0 IIADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN([C@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164998976 722221046 /nfs/dbraw/zinc/22/10/46/722221046.db2.gz NIXNVIVTWHJSCB-UNMCSNQZSA-N 0 0 429.923 4.443 20 0 IIADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1ccc(Cl)nn1)CC2 ZINC001164998221 722221165 /nfs/dbraw/zinc/22/11/65/722221165.db2.gz HIAFISPOVKBSKM-IBGZPJMESA-N 0 0 432.902 4.255 20 0 IIADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2ccnc(Cl)c2Cl)n1 ZINC001165000871 722226130 /nfs/dbraw/zinc/22/61/30/722226130.db2.gz VJQMINUDESWZDY-CYBMUJFWSA-N 0 0 432.302 4.147 20 0 IIADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)C2(c3ccc(Cl)nc3)CC2)n1 ZINC001164999003 722227639 /nfs/dbraw/zinc/22/76/39/722227639.db2.gz GPWZYXYAZVCNNU-MRXNPFEDSA-N 0 0 437.922 4.069 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cnc(Cl)c(C3CC3)c2)n1 ZINC001165001363 722227966 /nfs/dbraw/zinc/22/79/66/722227966.db2.gz ZTPJPHCLZFKRCA-KRWDZBQOSA-N 0 0 437.922 4.371 20 0 IIADRN CC(C)CN1c2ccccc2[C@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)CC[C@@H]21 ZINC001165004041 722245797 /nfs/dbraw/zinc/24/57/97/722245797.db2.gz MNCBABUOFNAUPF-ZBFHGGJFSA-N 0 0 432.906 4.341 20 0 IIADRN C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576638 939137152 /nfs/dbraw/zinc/13/71/52/939137152.db2.gz BTKJTQWZKAXGTR-MISYRCLQSA-N 0 0 449.473 4.213 20 0 IIADRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123372518 939822619 /nfs/dbraw/zinc/82/26/19/939822619.db2.gz OKMOLULGWVRNEG-UZUQRXQVSA-N 0 0 448.485 4.120 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000426714237 1126081504 /nfs/dbraw/zinc/08/15/04/1126081504.db2.gz CAJAWKJZEKQMPZ-OAHLLOKOSA-N 0 0 427.220 4.133 20 0 IIADRN Cc1cc(C)n(C[C@H]([NH2+]Cc2ccc(-c3ccccc3Br)s2)C(=O)[O-])n1 ZINC000426740789 1126085399 /nfs/dbraw/zinc/08/53/99/1126085399.db2.gz BVDUUQGMOKNGPE-KRWDZBQOSA-N 0 0 434.359 4.234 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000426717539 1126081842 /nfs/dbraw/zinc/08/18/42/1126081842.db2.gz QADZJHXSKLOCJV-INIZCTEOSA-N 0 0 432.236 4.176 20 0 IIADRN COc1ccc(C[NH2+][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1OCc1cccnc1 ZINC000426719446 1126082068 /nfs/dbraw/zinc/08/20/68/1126082068.db2.gz GRIBIHMARAZCQL-FQEVSTJZSA-N 0 0 426.900 4.108 20 0 IIADRN Cc1cc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])ccc1Oc1cccnc1 ZINC000426720674 1126082221 /nfs/dbraw/zinc/08/22/21/1126082221.db2.gz OJXQLUGKSGSQCF-NRFANRHFSA-N 0 0 434.492 4.129 20 0 IIADRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000426724822 1126082807 /nfs/dbraw/zinc/08/28/07/1126082807.db2.gz WCMIQUUGNQCMMR-KRWDZBQOSA-N 0 0 441.356 4.215 20 0 IIADRN Cc1cc(C)n(C[C@@H]([NH2+]Cc2ccc(-c3cccc(Br)c3)s2)C(=O)[O-])n1 ZINC000426725751 1126083083 /nfs/dbraw/zinc/08/30/83/1126083083.db2.gz DQICCXYFOJSCNL-QGZVFWFLSA-N 0 0 434.359 4.234 20 0 IIADRN Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])o1 ZINC000426733528 1126084435 /nfs/dbraw/zinc/08/44/35/1126084435.db2.gz YHGZYGDOGRMTJM-FQEVSTJZSA-N 0 0 425.456 4.341 20 0 IIADRN CCOc1cc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])cc(Cl)c1OC ZINC000426757145 1126088240 /nfs/dbraw/zinc/08/82/40/1126088240.db2.gz BPVBYDXXAJDWQK-MRXNPFEDSA-N 0 0 442.737 4.295 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000426760334 1126088613 /nfs/dbraw/zinc/08/86/13/1126088613.db2.gz ZQXDZLWASWZRHG-GOSISDBHSA-N 0 0 430.277 4.336 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000426761097 1126088871 /nfs/dbraw/zinc/08/88/71/1126088871.db2.gz XOJFSFOGRJDDFP-IBGZPJMESA-N 0 0 439.313 4.106 20 0 IIADRN CC(C)Cc1ncc(C[NH2+][C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])s1 ZINC000426762741 1126089074 /nfs/dbraw/zinc/08/90/74/1126089074.db2.gz NBUMNPXCZIWWKZ-INIZCTEOSA-N 0 0 436.375 4.371 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000426767596 1126089280 /nfs/dbraw/zinc/08/92/80/1126089280.db2.gz OMGIEXDLFUZRJK-IBGZPJMESA-N 0 0 446.404 4.297 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000426778300 1126090012 /nfs/dbraw/zinc/09/00/12/1126090012.db2.gz WKXGKDLDIDDAEX-KRWDZBQOSA-N 0 0 444.281 4.223 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000426802566 1126091243 /nfs/dbraw/zinc/09/12/43/1126091243.db2.gz WLPDFEWDDVVJGV-KRWDZBQOSA-N 0 0 439.256 4.317 20 0 IIADRN Cc1cc(C)cc(C[C@H]([NH2+]Cc2ncc(Br)cc2Br)C(=O)[O-])c1 ZINC000426812871 1126092233 /nfs/dbraw/zinc/09/22/33/1126092233.db2.gz SOKOGNLBNLVGSP-HNNXBMFYSA-N 0 0 442.151 4.009 20 0 IIADRN COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](Cc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000426821778 1126092810 /nfs/dbraw/zinc/09/28/10/1126092810.db2.gz WPKLMZRWPBRFRO-FQEVSTJZSA-N 0 0 428.435 4.144 20 0 IIADRN CC(=O)N(c1nc(CNC2(CO)Cc3ccccc3C2)cs1)c1ccc(Cl)cc1 ZINC000557799839 1126097063 /nfs/dbraw/zinc/09/70/63/1126097063.db2.gz JJBPVCVVHUSFSN-UHFFFAOYSA-N 0 0 427.957 4.101 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1sc(Sc2ccccc2)nc1Cl ZINC000756366628 1126107744 /nfs/dbraw/zinc/10/77/44/1126107744.db2.gz UVVJHSAPWHMFQX-CQSZACIVSA-N 0 0 448.953 4.462 20 0 IIADRN CC[C@@H](C)Oc1cc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])ccc1OC ZINC000683174652 1126106259 /nfs/dbraw/zinc/10/62/59/1126106259.db2.gz WCWMIWRMQULURB-KDOFPFPSSA-N 0 0 436.346 4.421 20 0 IIADRN Cc1cnn(C[C@@H]([NH2+]Cc2cc(C)c(OCc3ccccc3Cl)c(C)c2)C(=O)[O-])c1 ZINC000756386269 1126108629 /nfs/dbraw/zinc/10/86/29/1126108629.db2.gz HDIRFNXRZKUEEB-OAQYLSRUSA-N 0 0 427.932 4.284 20 0 IIADRN O=C([O-])[C@@H](Cn1cc(Cl)cn1)[NH2+]Cc1sc(Sc2ccccc2)nc1Cl ZINC001321925800 1126172135 /nfs/dbraw/zinc/17/21/35/1126172135.db2.gz WTAKPFCYXRRWSS-GFCCVEGCSA-N 0 0 429.354 4.041 20 0 IIADRN CC(=O)N(c1nc(CN[C@@H](CO)Cc2ccc(C)cc2)cs1)c1ccc(F)cc1F ZINC001560757636 1126214138 /nfs/dbraw/zinc/21/41/38/1126214138.db2.gz QREGYDUCSVWENO-GOSISDBHSA-N 0 0 431.508 4.108 20 0 IIADRN Cc1cc2n(n1)c1ccccc1c(=O)n2C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012904299 525663878 /nfs/dbraw/zinc/66/38/78/525663878.db2.gz ZBKXVAHAACLNQK-OAQYLSRUSA-N 0 0 425.488 4.065 20 0 IIADRN Cc1noc([C@H](C)Sc2nnc3n2c2ccccc2c(=O)n3-c2cccc(C)c2C)n1 ZINC000012523294 526666373 /nfs/dbraw/zinc/66/63/73/526666373.db2.gz FACBQRYYVSHXPD-AWEZNQCLSA-N 0 0 432.509 4.195 20 0 IIADRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCN(c3ccc(Cl)cc3)CC1)O2 ZINC000013651291 562999137 /nfs/dbraw/zinc/99/91/37/562999137.db2.gz FTQCIERHWNMELO-DEOSSOPVSA-N 0 0 428.960 4.403 20 0 IIADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c(C)c1 ZINC000015079818 563017527 /nfs/dbraw/zinc/01/75/27/563017527.db2.gz SVSMQFGAPYZVKX-UHFFFAOYSA-N 0 0 440.487 4.362 20 0 IIADRN OCC[C@@H]1CC12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164390655 718811675 /nfs/dbraw/zinc/81/16/75/718811675.db2.gz BLQRBULNRAOLJL-QGZVFWFLSA-N 0 0 426.630 4.155 20 0 IIADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@H]3OCC(F)(F)[C@H]3C2)c2ccccc21 ZINC001164426132 718926746 /nfs/dbraw/zinc/92/67/46/718926746.db2.gz WWXFFIHDPQIDRT-GOEBONIOSA-N 0 0 440.828 4.304 20 0 IIADRN C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4C[C@@H]5OCC(F)(F)[C@H]5C4)c32)C1 ZINC001164423043 718929541 /nfs/dbraw/zinc/92/95/41/718929541.db2.gz DBMOEYOMKKMUDU-PVAVHDDUSA-N 0 0 448.583 4.272 20 0 IIADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164433483 718973564 /nfs/dbraw/zinc/97/35/64/718973564.db2.gz LSFFHOOAIWSUHU-KBXCAEBGSA-N 0 0 446.281 4.030 20 0 IIADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164432089 718975897 /nfs/dbraw/zinc/97/58/97/718975897.db2.gz FPQXNTGRTQFJBJ-SCLBCKFNSA-N 0 0 446.281 4.030 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)COc4cccc(Cl)n4)C[C@H]3O2)n1 ZINC001164641170 719261792 /nfs/dbraw/zinc/26/17/92/719261792.db2.gz VVTLEPARVFVJDY-BHYGNILZSA-N 0 0 438.906 4.472 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)COc4cccc(Cl)n4)C[C@H]3O2)n1 ZINC001164641618 719261814 /nfs/dbraw/zinc/26/18/14/719261814.db2.gz VVTLEPARVFVJDY-HYVNUMGLSA-N 0 0 438.906 4.472 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C[C@H]3O2)n1 ZINC001164638719 719262097 /nfs/dbraw/zinc/26/20/97/719262097.db2.gz OWQSMMOZRYBEAB-FPMFFAJLSA-N 0 0 441.935 4.234 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C[C@H]3O2)n1 ZINC001164632767 719262885 /nfs/dbraw/zinc/26/28/85/719262885.db2.gz BBCLDHYEOLJYCQ-VBNZEHGJSA-N 0 0 448.905 4.426 20 0 IIADRN CN(C)c1cc(C(F)(F)N2C[C@@H]3O[C@H](c4nc(C5CC5)cs4)C[C@H]3C2)nc(Cl)n1 ZINC001164648516 719290927 /nfs/dbraw/zinc/29/09/27/719290927.db2.gz URSSCZZFKSNRJS-UBHSHLNASA-N 0 0 441.935 4.041 20 0 IIADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164647004 719292061 /nfs/dbraw/zinc/29/20/61/719292061.db2.gz QHPGULWWRJLVMP-UXLLHSPISA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164648509 719292130 /nfs/dbraw/zinc/29/21/30/719292130.db2.gz UQPMDKOXKHULNS-FHWLQOOXSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645570 719292528 /nfs/dbraw/zinc/29/25/28/719292528.db2.gz KNXJBDKGSPBDHU-ZCNNSNEGSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645569 719292563 /nfs/dbraw/zinc/29/25/63/719292563.db2.gz KNXJBDKGSPBDHU-UFYCRDLUSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164645567 719292584 /nfs/dbraw/zinc/29/25/84/719292584.db2.gz KNXJBDKGSPBDHU-AABGKKOBSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164650683 719292853 /nfs/dbraw/zinc/29/28/53/719292853.db2.gz ZYCPFXLMPQOUAP-UFYCRDLUSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164648691 719293675 /nfs/dbraw/zinc/29/36/75/719293675.db2.gz WCRWLZNZGMXAKL-ZCNNSNEGSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164645476 719294304 /nfs/dbraw/zinc/29/43/04/719294304.db2.gz JEMUWGNSLAWNBH-QRVBRYPASA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164647241 719294973 /nfs/dbraw/zinc/29/49/73/719294973.db2.gz DBJPDWQQQKSOCM-NSHGMRRFSA-N 0 0 446.885 4.176 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1nc(Cl)c3ccccc3n1)CC2 ZINC001164649089 719307417 /nfs/dbraw/zinc/30/74/17/719307417.db2.gz TYRKXYWRBJCDAK-UHFFFAOYSA-N 0 0 434.922 4.230 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164648333 719310625 /nfs/dbraw/zinc/31/06/25/719310625.db2.gz HZJYAENTSCVJLT-UHFFFAOYSA-N 0 0 434.922 4.230 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1ncnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164648972 719311954 /nfs/dbraw/zinc/31/19/54/719311954.db2.gz NGPPNHGJXSHQEV-UHFFFAOYSA-N 0 0 447.562 4.020 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1cnc(Cl)nc1Oc1cccc(F)c1)CC2 ZINC001164650955 719317497 /nfs/dbraw/zinc/31/74/97/719317497.db2.gz FFBIRBQSQQEZNG-UHFFFAOYSA-N 0 0 444.942 4.463 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCO[C@@H]2[C@@H](OCC3CCCC3)CC[C@@H]21 ZINC001164662065 719343535 /nfs/dbraw/zinc/34/35/35/719343535.db2.gz MYHONEOJYFKPMT-BXWFABGCSA-N 0 0 438.906 4.166 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1c[nH]c3ncnc(Cl)c13)CC2 ZINC001164664185 719347096 /nfs/dbraw/zinc/34/70/96/719347096.db2.gz TUJQQFJGUJXIHL-UHFFFAOYSA-N 0 0 447.974 4.258 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C3CCC3)ncn1)CC2 ZINC001164658975 719355580 /nfs/dbraw/zinc/35/55/80/719355580.db2.gz OBFWABNWROYINJ-UHFFFAOYSA-N 0 0 428.584 4.439 20 0 IIADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164663740 719359602 /nfs/dbraw/zinc/35/96/02/719359602.db2.gz HAXKWZZPGIZIPE-UHFFFAOYSA-N 0 0 449.354 4.477 20 0 IIADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001164662984 719359634 /nfs/dbraw/zinc/35/96/34/719359634.db2.gz BJKNDLPDYBCZBP-UHFFFAOYSA-N 0 0 449.354 4.477 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)c2cc(C3CC3)nnc2Cl)Cc2nn(CC3CC3)cc21 ZINC001164664840 719364230 /nfs/dbraw/zinc/36/42/30/719364230.db2.gz SUZTZQIVRNOCIN-OAHLLOKOSA-N 0 0 437.922 4.299 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2cc(Cl)nc4ncccc24)CC3)cc1 ZINC001164673112 719504776 /nfs/dbraw/zinc/50/47/76/719504776.db2.gz OABHAZYOPYUCOU-UHFFFAOYSA-N 0 0 426.923 4.294 20 0 IIADRN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(C(F)(F)c2ccc3ccc(Cl)nc3c2)C1)N1CCCC1 ZINC001164678778 719537642 /nfs/dbraw/zinc/53/76/42/719537642.db2.gz NLKGUJVRDMWXCD-MNEFBYGVSA-N 0 0 435.902 4.039 20 0 IIADRN O=C([C@@H]1C[C@@H]2OCC[C@H]2N(C(F)(F)c2cccc3ccnc(Cl)c32)C1)N1CCCC1 ZINC001164679007 719539297 /nfs/dbraw/zinc/53/92/97/719539297.db2.gz QCWZROCTLSXCIB-NXHRZFHOSA-N 0 0 435.902 4.039 20 0 IIADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001164676659 719566779 /nfs/dbraw/zinc/56/67/79/719566779.db2.gz KXDMSUNIXJAADW-UHFFFAOYSA-N 0 0 442.857 4.137 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1ccc(Cl)nc1Cl)C[C@@H]2COc1cccnc1 ZINC001164683477 719595357 /nfs/dbraw/zinc/59/53/57/719595357.db2.gz GEGMUVFQZIAGCI-GFCCVEGCSA-N 0 0 440.281 4.245 20 0 IIADRN CC(C)Oc1ncnc2c1CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)CC2 ZINC001164695192 719790341 /nfs/dbraw/zinc/79/03/41/719790341.db2.gz JXXBPCXGFXOWSK-UHFFFAOYSA-N 0 0 437.853 4.150 20 0 IIADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2cc(C)nc(Cl)n2)CC3)cs1 ZINC001164693757 719807236 /nfs/dbraw/zinc/80/72/36/719807236.db2.gz RAQKBPFZMJYHSZ-UHFFFAOYSA-N 0 0 427.952 4.383 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)c1 ZINC001164698891 719826183 /nfs/dbraw/zinc/82/61/83/719826183.db2.gz VZDPZPSSYITSGU-ZDUSSCGKSA-N 0 0 428.936 4.278 20 0 IIADRN COC[C@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc(OC)c3)c2)Cc2cn(C)nc21 ZINC001164697892 719833614 /nfs/dbraw/zinc/83/36/14/719833614.db2.gz ZIQYNMHTPSMQKK-MRXNPFEDSA-N 0 0 448.901 4.439 20 0 IIADRN Cc1noc([C@]23COC[C@@H]2CN(C(F)(F)c2cnc(Cl)c(-c4cccs4)c2)C3)n1 ZINC001164807414 720064395 /nfs/dbraw/zinc/06/43/95/720064395.db2.gz FKMGOIMASPPTMG-SCLBCKFNSA-N 0 0 438.887 4.104 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc(Cl)nc2Cl)cs1 ZINC001164817385 720249947 /nfs/dbraw/zinc/24/99/47/720249947.db2.gz QVEDVQMAEJXIFS-KBPBESRZSA-N 0 0 447.338 4.468 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)ncc2Cl)cs1 ZINC001164817799 720250949 /nfs/dbraw/zinc/25/09/49/720250949.db2.gz UPMRTHQKFFJGNU-GJZGRUSLSA-N 0 0 447.338 4.468 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccnc(Cl)c2Cl)cs1 ZINC001164816791 720251332 /nfs/dbraw/zinc/25/13/32/720251332.db2.gz MTVMIVITZQFJKJ-KBPBESRZSA-N 0 0 447.338 4.468 20 0 IIADRN O=C1N(CC2CC2)CC[C@@]12CCCN(C(F)(F)c1nc3ccsc3c(Cl)n1)C2 ZINC001164820828 720278010 /nfs/dbraw/zinc/27/80/10/720278010.db2.gz XUTFSZCPMYFFLM-GOSISDBHSA-N 0 0 426.920 4.119 20 0 IIADRN Cc1nc(CO[C@H]2CN(C(F)(F)c3cc(C)nc(Cl)c3)[C@H]3CCCO[C@H]23)cs1 ZINC001164822875 720386593 /nfs/dbraw/zinc/38/65/93/720386593.db2.gz MRAABJVOFNFPPR-BQFCYCMXSA-N 0 0 429.920 4.306 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3F)[C@H]3CCCO[C@H]23)cs1 ZINC001164820792 720389367 /nfs/dbraw/zinc/38/93/67/720389367.db2.gz CNECQGOXBVGMAO-UXLLHSPISA-N 0 0 433.883 4.137 20 0 IIADRN FC(F)(COc1ccc(Cl)nn1)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164825303 720395589 /nfs/dbraw/zinc/39/55/89/720395589.db2.gz UXGCYAPXWXCNRW-GOSISDBHSA-N 0 0 444.860 4.339 20 0 IIADRN O[C@@H]1CCN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)[C@@H]1Cc1ccccc1 ZINC001164835406 720492094 /nfs/dbraw/zinc/49/20/94/720492094.db2.gz XVOYXQCXTOQETK-NHCUHLMSSA-N 0 0 448.636 4.348 20 0 IIADRN O[C@H]1CCN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)[C@@H]1Cc1ccccc1 ZINC001164835408 720492352 /nfs/dbraw/zinc/49/23/52/720492352.db2.gz XVOYXQCXTOQETK-RTWAWAEBSA-N 0 0 448.636 4.348 20 0 IIADRN CC[C@H]1N(C(F)(F)c2cc(-c3cccs3)nnc2Cl)CCC[C@@]12CCC(=O)N2 ZINC001164845140 720756684 /nfs/dbraw/zinc/75/66/84/720756684.db2.gz FDAIEWJMWSJYHP-CRAIPNDOSA-N 0 0 426.920 4.431 20 0 IIADRN CC[C@H]1N(c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)CCC[C@@]12CCC(=O)N2 ZINC001164844690 720756776 /nfs/dbraw/zinc/75/67/76/720756776.db2.gz CLIIIYMSRVOFQE-KBMIEXCESA-N 0 0 449.624 4.448 20 0 IIADRN CCOC(=O)c1ccc(C(F)(F)N2CC[C@H]3[C@H]2CCC(=O)N3c2ccccc2)c(Cl)n1 ZINC001164850443 720766084 /nfs/dbraw/zinc/76/60/84/720766084.db2.gz WSSCOLGYRDASPH-MSOLQXFVSA-N 0 0 449.885 4.231 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164848594 720769793 /nfs/dbraw/zinc/76/97/93/720769793.db2.gz PYDDHYSWGKYBJY-KKUMJFAQSA-N 0 0 445.297 4.066 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164848292 720769961 /nfs/dbraw/zinc/76/99/61/720769961.db2.gz PJNYXSLIRLBNPU-UAGQMJEPSA-N 0 0 427.854 4.157 20 0 IIADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164850736 720770834 /nfs/dbraw/zinc/77/08/34/720770834.db2.gz XSGXUEMLAZBVOS-ILXRZTDVSA-N 0 0 445.297 4.066 20 0 IIADRN COc1ccc(C(F)(F)N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)c(Cl)n1 ZINC001164849456 720773958 /nfs/dbraw/zinc/77/39/58/720773958.db2.gz SLMZFAXMBGPYRN-NJAFHUGGSA-N 0 0 439.890 4.027 20 0 IIADRN COc1ccc(C(F)(F)N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@H]32)nc1Cl ZINC001164849580 720774600 /nfs/dbraw/zinc/77/46/00/720774600.db2.gz UHIPFKAYECCFMH-BBWFWOEESA-N 0 0 439.890 4.027 20 0 IIADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4nc(Cl)cc(Cl)n4)C3)C2=O)c1 ZINC001164852690 720806740 /nfs/dbraw/zinc/80/67/40/720806740.db2.gz OKMDGSHYNJJNRX-IBGZPJMESA-N 0 0 441.309 4.266 20 0 IIADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)COc4ccnc(Cl)c4)C3)C2=O)c1 ZINC001164853699 720807508 /nfs/dbraw/zinc/80/75/08/720807508.db2.gz SHLTYPHVAXWDAH-NRFANRHFSA-N 0 0 435.902 4.140 20 0 IIADRN FC(F)(c1cnc(Cl)nc1Cl)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164761831 721026035 /nfs/dbraw/zinc/02/60/35/721026035.db2.gz UQWHRAIKOXOJCA-KDOFPFPSSA-N 0 0 445.297 4.068 20 0 IIADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164756981 721026561 /nfs/dbraw/zinc/02/65/61/721026561.db2.gz CANHVJDWCUEHEC-KSSFIOAISA-N 0 0 445.297 4.068 20 0 IIADRN COc1cc(C(F)(F)N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)cc(Cl)n1 ZINC001164756987 721026820 /nfs/dbraw/zinc/02/68/20/721026820.db2.gz CCHJMKFFNUPSNP-YLJYHZDGSA-N 0 0 439.890 4.028 20 0 IIADRN CCn1nnc2c1CCN(C(F)(F)c1ccc(Cl)nc1)[C@@H]2COCc1ccccc1 ZINC001164759536 721047188 /nfs/dbraw/zinc/04/71/88/721047188.db2.gz OGPUHLKDBFXLSV-GOSISDBHSA-N 0 0 433.890 4.212 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)c1 ZINC001164771944 721054436 /nfs/dbraw/zinc/05/44/36/721054436.db2.gz NSRWBZNRMGCNIB-IRXDYDNUSA-N 0 0 438.931 4.085 20 0 IIADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164869058 721217928 /nfs/dbraw/zinc/21/79/28/721217928.db2.gz BGGXLADRCPYWQH-UHFFFAOYSA-N 0 0 429.298 4.204 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@H]32)N=C1C ZINC001164872130 721236371 /nfs/dbraw/zinc/23/63/71/721236371.db2.gz JYBJSIZNZKPSBB-SOIKWTOOSA-N 0 0 448.901 4.405 20 0 IIADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164872664 721246472 /nfs/dbraw/zinc/24/64/72/721246472.db2.gz DYVMMZJRNDKYOE-VDGAXYAQSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164879809 721246507 /nfs/dbraw/zinc/24/65/07/721246507.db2.gz ZGXGUYVYGYWEQI-DBVUQKKJSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164872022 721249992 /nfs/dbraw/zinc/24/99/92/721249992.db2.gz CMXWWQVCGNANBQ-KFWWJZLASA-N 0 0 445.297 4.015 20 0 IIADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3ccnc(Cl)c3)C2)O1)c1ccccc1 ZINC001164880132 721253327 /nfs/dbraw/zinc/25/33/27/721253327.db2.gz ZXEDKOIZHWKRMU-GHTZIAJQSA-N 0 0 435.902 4.228 20 0 IIADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164767065 721274692 /nfs/dbraw/zinc/27/46/92/721274692.db2.gz FHTHAUWZNRBQLM-AWEZNQCLSA-N 0 0 444.873 4.068 20 0 IIADRN Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2c4c(nnc2Cl)CCC4)CCO3)c1 ZINC001164775480 721305209 /nfs/dbraw/zinc/30/52/09/721305209.db2.gz XOODRNDZSJULJT-QFIPXVFZSA-N 0 0 448.945 4.348 20 0 IIADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164880006 721310647 /nfs/dbraw/zinc/31/06/47/721310647.db2.gz OPGWOYDZOJKFSB-UHOFOFEASA-N 0 0 430.282 4.391 20 0 IIADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164880004 721310966 /nfs/dbraw/zinc/31/09/66/721310966.db2.gz OPGWOYDZOJKFSB-DAXOMENPSA-N 0 0 430.282 4.391 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)C[C@H]2C)C1=O ZINC001164777498 721317993 /nfs/dbraw/zinc/31/79/93/721317993.db2.gz KCANPVXTAQULCB-ADLMAVQZSA-N 0 0 429.298 4.176 20 0 IIADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)CC2 ZINC001164779207 721324956 /nfs/dbraw/zinc/32/49/56/721324956.db2.gz VYQSBJBBKPRAND-NSHDSACASA-N 0 0 449.260 4.069 20 0 IIADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001164776875 721325842 /nfs/dbraw/zinc/32/58/42/721325842.db2.gz FRKKNOHVPFPYAE-CYBMUJFWSA-N 0 0 431.817 4.160 20 0 IIADRN COc1ccc(C(F)(F)N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)nc1Cl ZINC001164777598 721326561 /nfs/dbraw/zinc/32/65/61/721326561.db2.gz OPQKHTFHTIIWLM-CYBMUJFWSA-N 0 0 443.853 4.030 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3cccnc3Cl)C2)C1 ZINC001164776295 721332951 /nfs/dbraw/zinc/33/29/51/721332951.db2.gz DMVDZQHGQLZTJE-FQEVSTJZSA-N 0 0 440.922 4.004 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3cccc(Cl)n3)C2)C1 ZINC001164778857 721333503 /nfs/dbraw/zinc/33/35/03/721333503.db2.gz ZJCZSEASZZAMSV-FQEVSTJZSA-N 0 0 440.922 4.004 20 0 IIADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2nc3ccsc3c(Cl)n2)N1c1ccsc1 ZINC001164885144 721354947 /nfs/dbraw/zinc/35/49/47/721354947.db2.gz WXNTVIWMYAREBJ-NEPJUHHUSA-N 0 0 426.901 4.335 20 0 IIADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2nc3ccsc3c(Cl)n2)N1c1ccsc1 ZINC001164885148 721355214 /nfs/dbraw/zinc/35/52/14/721355214.db2.gz WXNTVIWMYAREBJ-RYUDHWBXSA-N 0 0 426.901 4.335 20 0 IIADRN CS(=O)(=O)N1CCCC[C@@]12CCCN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001164894654 721376092 /nfs/dbraw/zinc/37/60/92/721376092.db2.gz ZXDWMEVHRHIOLT-IBGZPJMESA-N 0 0 443.947 4.218 20 0 IIADRN Fc1cnc(Cl)cc1C(F)(F)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164787781 721384279 /nfs/dbraw/zinc/38/42/79/721384279.db2.gz XLWGJIRPNUFZOV-OXQOHEQNSA-N 0 0 441.881 4.406 20 0 IIADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164787496 721428223 /nfs/dbraw/zinc/42/82/23/721428223.db2.gz RPYHUZFWHPLETM-HOTGVXAUSA-N 0 0 447.942 4.367 20 0 IIADRN Clc1ccc(-c2nc3c(c(N4C[C@@H]5CN(Cc6nccs6)C[C@H]5C4)n2)CCC3)s1 ZINC001164786364 721432984 /nfs/dbraw/zinc/43/29/84/721432984.db2.gz OPFBDSZQXOMMKJ-KBPBESRZSA-N 0 0 444.029 4.372 20 0 IIADRN Fc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164784860 721436046 /nfs/dbraw/zinc/43/60/46/721436046.db2.gz MTHWTLRLCXBPHL-KBPBESRZSA-N 0 0 431.924 4.086 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@]23CN([C@H](F)Oc2ccnc(Cl)c2)CCO3)cs1 ZINC001164784206 721443763 /nfs/dbraw/zinc/44/37/63/721443763.db2.gz PFBKKJHMBXZSIZ-YSSFQJQWSA-N 0 0 441.956 4.220 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cncc(Cl)n2)CCO3)cs1 ZINC001164781468 721444662 /nfs/dbraw/zinc/44/46/62/721444662.db2.gz GAJGSIFLTMCHFV-KSSFIOAISA-N 0 0 444.935 4.032 20 0 IIADRN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)O1 ZINC001164887379 721455429 /nfs/dbraw/zinc/45/54/29/721455429.db2.gz JWMAZXJOVWLLMI-AQNXPRMDSA-N 0 0 447.913 4.209 20 0 IIADRN Cc1nc(C(F)(F)N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)nc(Cl)c1C ZINC001164893998 721473623 /nfs/dbraw/zinc/47/36/23/721473623.db2.gz LXDNVLIMLRMFMT-UHFFFAOYSA-N 0 0 434.918 4.093 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)Cc2cnn(C)c21 ZINC001164792772 721478168 /nfs/dbraw/zinc/47/81/68/721478168.db2.gz PNLORJYQULGCSP-MRXNPFEDSA-N 0 0 433.890 4.216 20 0 IIADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164895696 721486462 /nfs/dbraw/zinc/48/64/62/721486462.db2.gz MQRVCKSGJIWQEX-OAHLLOKOSA-N 0 0 428.874 4.163 20 0 IIADRN FC(F)(c1cccc2ccnc(Cl)c21)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001164898062 721486778 /nfs/dbraw/zinc/48/67/78/721486778.db2.gz VHSBDVBDHOPEHK-HNNXBMFYSA-N 0 0 428.874 4.163 20 0 IIADRN Fc1cccnc1OC[C@]12COC[C@H]1CN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001164792777 721487197 /nfs/dbraw/zinc/48/71/97/721487197.db2.gz LRRZDTUVDHBYPX-SZNDQCEHSA-N 0 0 449.860 4.499 20 0 IIADRN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001164902009 721490281 /nfs/dbraw/zinc/49/02/81/721490281.db2.gz XYLFFFXGYACNMQ-OAHLLOKOSA-N 0 0 449.929 4.477 20 0 IIADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3cc(N)cc(Cl)n3)CC2)c2ccc(C)cc21 ZINC001164897659 721492432 /nfs/dbraw/zinc/49/24/32/721492432.db2.gz DREPOHVEXQJVFF-KRWDZBQOSA-N 0 0 449.933 4.083 20 0 IIADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@H](OCC4CC4)[C@H]3C2)c(Cl)n1 ZINC001164901900 721498700 /nfs/dbraw/zinc/49/87/00/721498700.db2.gz XGOZYMONKLIUKX-MPGHIAIKSA-N 0 0 428.907 4.488 20 0 IIADRN c1ccc(CN2CCc3ncnc(N4C[C@H]5CCC[C@]5(COc5ccccn5)C4)c3C2)cc1 ZINC001164796625 721505152 /nfs/dbraw/zinc/50/51/52/721505152.db2.gz URLGWTILGMWHJJ-AJTFRIOCSA-N 0 0 441.579 4.115 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(C(C)(C)C)sc32)[C@@H]2CCCO[C@@H]12 ZINC001164805322 721540826 /nfs/dbraw/zinc/54/08/26/721540826.db2.gz LRCDRANNAFEDFM-SFHLNBCPSA-N 0 0 437.613 4.252 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3Cl)nn2)[C@H]2CCCO[C@H]12 ZINC001164798644 721566798 /nfs/dbraw/zinc/56/67/98/721566798.db2.gz BROBOJWNLZUDGY-ZDXQCDESSA-N 0 0 435.959 4.060 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)c(Cl)cc32)[C@H]2CCCO[C@H]12 ZINC001164800406 721568821 /nfs/dbraw/zinc/56/88/21/721568821.db2.gz FLJOHTJCFFVWOV-HBMCJLEFSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4ccc(Cl)cc4c32)[C@H]2CCCO[C@H]12 ZINC001164806044 721572739 /nfs/dbraw/zinc/57/27/39/721572739.db2.gz PEXRAFRHOWRTOG-VWPQPMDRSA-N 0 0 448.958 4.028 20 0 IIADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001164904528 721579827 /nfs/dbraw/zinc/57/98/27/721579827.db2.gz RCJSSNUSJLZXDO-NRFANRHFSA-N 0 0 445.901 4.099 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nccc(SCc3ccccc3)n2)[C@@H]2CCCO[C@H]12 ZINC001164806160 721587223 /nfs/dbraw/zinc/58/72/23/721587223.db2.gz MCNYPMHCESGMAB-AKFKNWHVSA-N 0 0 447.608 4.032 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2c(Cl)ccc3c(Cl)ncnc32)[C@@H]2CCCO[C@@H]12 ZINC001164800053 721590825 /nfs/dbraw/zinc/59/08/25/721590825.db2.gz BKTUCLNFQZKZQS-DBXWQHBBSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc3c2CCC3)[C@H]2CCCO[C@H]12 ZINC001164800866 721591767 /nfs/dbraw/zinc/59/17/67/721591767.db2.gz CVVIPGSOGYOQEW-VWPQPMDRSA-N 0 0 448.945 4.032 20 0 IIADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164800999 721599651 /nfs/dbraw/zinc/59/96/51/721599651.db2.gz NJAWOFMAIKQVKD-UHFFFAOYSA-N 0 0 445.901 4.485 20 0 IIADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)c2nc4[nH]cnc4c(Cl)n2)C3)c1 ZINC001164802875 721601443 /nfs/dbraw/zinc/60/14/43/721601443.db2.gz STFHCLRPZKJFBP-MGPUTAFESA-N 0 0 448.905 4.030 20 0 IIADRN COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2CCC[C@]2(COCc2cncc(C)c2)C1 ZINC001164803437 721601908 /nfs/dbraw/zinc/60/19/08/721601908.db2.gz UOWXMFXGUIWWHR-OXJNMPFZSA-N 0 0 438.906 4.210 20 0 IIADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCOC[C@@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164803819 721607440 /nfs/dbraw/zinc/60/74/40/721607440.db2.gz KMRLMDPEVGGRST-WIYYLYMNSA-N 0 0 448.901 4.084 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nccc(Oc3ccccc3)n1)C2 ZINC001164909425 721749843 /nfs/dbraw/zinc/74/98/43/721749843.db2.gz SJIOEAFEIIHXKE-UHFFFAOYSA-N 0 0 427.508 4.452 20 0 IIADRN CCOC(=O)c1nc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)ccc1Cl ZINC001164911759 721759320 /nfs/dbraw/zinc/75/93/20/721759320.db2.gz YSNUTCPSGBQSIW-UHFFFAOYSA-N 0 0 440.931 4.094 20 0 IIADRN COC(=O)c1cccc2nc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)ccc21 ZINC001164910813 721763955 /nfs/dbraw/zinc/76/39/55/721763955.db2.gz LINJMFSLFVMCHH-UHFFFAOYSA-N 0 0 442.519 4.204 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3nc(Cl)c4ccccc4n3)[C@@H]2C1 ZINC001165016947 721768659 /nfs/dbraw/zinc/76/86/59/721768659.db2.gz QGPMALWEQSDTJF-CZUORRHYSA-N 0 0 432.858 4.162 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@H]32)c1 ZINC001165014699 721771519 /nfs/dbraw/zinc/77/15/19/721771519.db2.gz FOPHXEAIRNLMRS-IUODEOHRSA-N 0 0 427.904 4.336 20 0 IIADRN Cc1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)nc1Cl ZINC001164915323 721802627 /nfs/dbraw/zinc/80/26/27/721802627.db2.gz IQYXQOMBCYYZGN-QGZVFWFLSA-N 0 0 429.849 4.120 20 0 IIADRN FC(F)(Sc1ccc(Cl)nc1)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001164916111 721803270 /nfs/dbraw/zinc/80/32/70/721803270.db2.gz NTGAJJCZMSBJLJ-INIZCTEOSA-N 0 0 447.889 4.405 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164917384 721806340 /nfs/dbraw/zinc/80/63/40/721806340.db2.gz VYNRWJTYRBLGEA-QRWLVFNGSA-N 0 0 432.858 4.040 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164914259 721807549 /nfs/dbraw/zinc/80/75/49/721807549.db2.gz BMKIUFGHMCCJOP-SUMWQHHRSA-N 0 0 432.254 4.025 20 0 IIADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164915862 721807623 /nfs/dbraw/zinc/80/76/23/721807623.db2.gz LVAPNOBOOVZOKH-RHSMWYFYSA-N 0 0 432.254 4.025 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164918231 721809740 /nfs/dbraw/zinc/80/97/40/721809740.db2.gz PTDJVVCFFKFEST-AXAPSJFSSA-N 0 0 433.883 4.076 20 0 IIADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1C[C@@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164926143 721840664 /nfs/dbraw/zinc/84/06/64/721840664.db2.gz QFSCZGRCLABEOR-XMSQKQJNSA-N 0 0 445.897 4.498 20 0 IIADRN Cc1nc(Cl)cc(C(F)(F)N2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)n1 ZINC001164926518 721898291 /nfs/dbraw/zinc/89/82/91/721898291.db2.gz CAIPUHXHBQYYMK-OAQYLSRUSA-N 0 0 443.885 4.119 20 0 IIADRN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001165043122 721920897 /nfs/dbraw/zinc/92/08/97/721920897.db2.gz HJLQDFLTQYACNQ-FQEVSTJZSA-N 0 0 437.918 4.160 20 0 IIADRN Fc1cccc(-c2cc(C(F)(F)N3CCN(C[C@@H]4CCCO4)CC3)cnc2Cl)c1 ZINC001165043592 721921913 /nfs/dbraw/zinc/92/19/13/721921913.db2.gz MQVHSRUFSBILQM-SFHVURJKSA-N 0 0 425.882 4.387 20 0 IIADRN [O-][n+]1ccc(C(F)(F)N2CCN(c3ccnc4cc(Cl)ccc43)CC2)cc1Cl ZINC001165044140 721940144 /nfs/dbraw/zinc/94/01/44/721940144.db2.gz KCVGUESQBXUPBY-UHFFFAOYSA-N 0 0 425.266 4.047 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncnc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164943217 721940375 /nfs/dbraw/zinc/94/03/75/721940375.db2.gz ONONIVRIEVDEKC-LEWJYISDSA-N 0 0 447.564 4.053 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc4c(Cl)ccc(Cl)c4n3)C[C@H]21 ZINC001164942938 721962326 /nfs/dbraw/zinc/96/23/26/721962326.db2.gz DQBJFJYJJXZRHL-RTBURBONSA-N 0 0 433.339 4.236 20 0 IIADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3nc(Cl)ccc3CN3CCCC3)C[C@H]12 ZINC001164948336 721966623 /nfs/dbraw/zinc/96/66/23/721966623.db2.gz TZLFQSTVIOTERJ-WIOPSUGQSA-N 0 0 439.003 4.100 20 0 IIADRN O=C1NCCN(Cc2ccccc2)C12CCN(c1c(Cl)ncc(Cl)c1Cl)CC2 ZINC001164948211 721974430 /nfs/dbraw/zinc/97/44/30/721974430.db2.gz VGVLYNYCZYPENQ-UHFFFAOYSA-N 0 0 439.774 4.013 20 0 IIADRN Cc1ccc2c(c1)cc(Cl)nc2N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001164946810 721976921 /nfs/dbraw/zinc/97/69/21/721976921.db2.gz LBXLKOZRUKATKM-UHFFFAOYSA-N 0 0 434.971 4.168 20 0 IIADRN COc1ccc(C(F)(F)N2C[C@@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)c(Cl)n1 ZINC001164953733 722004121 /nfs/dbraw/zinc/00/41/21/722004121.db2.gz UFDLUPHKHMTAJJ-GJZGRUSLSA-N 0 0 430.886 4.465 20 0 IIADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CCN(CCc2ccccn2)CC1 ZINC001165053201 722011440 /nfs/dbraw/zinc/01/14/40/722011440.db2.gz AVIMEDVBDRCRES-UHFFFAOYSA-N 0 0 438.309 4.241 20 0 IIADRN Fc1ccc(-c2cc(C(F)(F)N3CCN(CCc4ccccn4)CC3)c(Cl)nn2)cc1 ZINC001165055551 722021073 /nfs/dbraw/zinc/02/10/73/722021073.db2.gz PSNHREIFJBFQKI-UHFFFAOYSA-N 0 0 447.892 4.241 20 0 IIADRN Fc1ccccc1-c1cc(C(F)(F)N2CCN(CCc3ccccn3)CC2)c(Cl)nn1 ZINC001165056178 722021085 /nfs/dbraw/zinc/02/10/85/722021085.db2.gz YQDMAMOVSYYFMV-UHFFFAOYSA-N 0 0 447.892 4.241 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cc(Cl)cnc1Cl ZINC001164960582 722028127 /nfs/dbraw/zinc/02/81/27/722028127.db2.gz LAFUVQYGGVKHFF-RBSFLKMASA-N 0 0 434.245 4.283 20 0 IIADRN O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164963101 722034165 /nfs/dbraw/zinc/03/41/65/722034165.db2.gz ZTLFOYFPASFQTO-AVRDEDQJSA-N 0 0 442.897 4.361 20 0 IIADRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4nc(C)c(C)c(Cl)n4)C3)CC2=O)s1 ZINC001164962895 722044189 /nfs/dbraw/zinc/04/41/89/722044189.db2.gz QCRDUXSKEDWMLP-SFHVURJKSA-N 0 0 426.920 4.295 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C[C@H]21 ZINC001164959212 722046849 /nfs/dbraw/zinc/04/68/49/722046849.db2.gz PYUQRCYDMZLHMN-MAUKXSAKSA-N 0 0 444.869 4.286 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C[C@@H]21 ZINC001164956606 722047605 /nfs/dbraw/zinc/04/76/05/722047605.db2.gz BTFYADCJAKPOCM-CVEARBPZSA-N 0 0 444.869 4.286 20 0 IIADRN F[C@@H](Oc1ccnc(Cl)c1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164958550 722049505 /nfs/dbraw/zinc/04/95/05/722049505.db2.gz NDFYNKXTNYHAPI-JOCHJYFZSA-N 0 0 438.894 4.351 20 0 IIADRN O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc2ccccc2nc1Cl ZINC001164965592 722065026 /nfs/dbraw/zinc/06/50/26/722065026.db2.gz KUXPCADRUKWYKM-SJORKVTESA-N 0 0 434.899 4.383 20 0 IIADRN CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164965789 722066206 /nfs/dbraw/zinc/06/62/06/722066206.db2.gz NDGPDXRXYRJPDM-UHFFFAOYSA-N 0 0 449.354 4.381 20 0 IIADRN CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164964705 722066281 /nfs/dbraw/zinc/06/62/81/722066281.db2.gz BDAMHKYCYLFBNB-UHFFFAOYSA-N 0 0 449.354 4.381 20 0 IIADRN CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164965351 722066539 /nfs/dbraw/zinc/06/65/39/722066539.db2.gz JOWJHSALOHXUGA-UHFFFAOYSA-N 0 0 449.354 4.381 20 0 IIADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C[C@H]2C1 ZINC001164975735 722084786 /nfs/dbraw/zinc/08/47/86/722084786.db2.gz UMDPUPZCDRPBLO-CLLJXQQHSA-N 0 0 438.881 4.098 20 0 IIADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C[C@@H]2C1 ZINC001164970337 722085947 /nfs/dbraw/zinc/08/59/47/722085947.db2.gz DBGIQKRGVOQIQY-IRXDYDNUSA-N 0 0 446.929 4.473 20 0 IIADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164977604 722091146 /nfs/dbraw/zinc/09/11/46/722091146.db2.gz UZSXDDUQNBPVTK-ZDUSSCGKSA-N 0 0 433.330 4.241 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)C[C@H]21 ZINC001164974465 722096951 /nfs/dbraw/zinc/09/69/51/722096951.db2.gz DJHUFXSQAYLSBT-HDMKZQKVSA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3Cl)C[C@H]21 ZINC001164977941 722097154 /nfs/dbraw/zinc/09/71/54/722097154.db2.gz IPSVNOYLPNICOA-JJRVBVJISA-N 0 0 441.309 4.479 20 0 IIADRN CN1c2ccccc2[C@]2(CCN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C2)C1=O ZINC001164981633 722162682 /nfs/dbraw/zinc/16/26/82/722162682.db2.gz RWBIDPSKPYUCLP-DHIUTWEWSA-N 0 0 438.890 4.049 20 0 IIADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C2)C1=O ZINC001164982150 722162840 /nfs/dbraw/zinc/16/28/40/722162840.db2.gz UTIZGMKDDFTISE-JOCHJYFZSA-N 0 0 440.881 4.466 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cc(C)nc(Cl)c4)CC[C@@H]32)cs1 ZINC001164986859 722175184 /nfs/dbraw/zinc/17/51/84/722175184.db2.gz LVZNWSPQRCAYGJ-ROUUACIJSA-N 0 0 442.963 4.223 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5cccc(F)c54)CC[C@@H]32)cs1 ZINC001164988428 722179548 /nfs/dbraw/zinc/17/95/48/722179548.db2.gz QYRDRFFGCHTHOA-ROUUACIJSA-N 0 0 447.967 4.057 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4ccc(C)c(Cl)n4)CC[C@H]32)cs1 ZINC001164994115 722182641 /nfs/dbraw/zinc/18/26/41/722182641.db2.gz YAQJDJXCWSJKMR-SJORKVTESA-N 0 0 442.963 4.223 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5ccc(C(C)C)cc54)CC[C@@H]32)cs1 ZINC001164989071 722185341 /nfs/dbraw/zinc/18/53/41/722185341.db2.gz OEIMFQSQHNRPIB-GOTSBHOMSA-N 0 0 437.613 4.388 20 0 IIADRN CCc1ccc(-c2ccc(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)nn2)cc1 ZINC001164991801 722185737 /nfs/dbraw/zinc/18/57/37/722185737.db2.gz UVPLCATWMXXXFY-ZEQRLZLVSA-N 0 0 449.624 4.341 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C(C)C)nc(Cl)c4C)CC[C@@H]32)cs1 ZINC001164992553 722186276 /nfs/dbraw/zinc/18/62/76/722186276.db2.gz XFCPHWRFQFXFLQ-ROUUACIJSA-N 0 0 436.025 4.197 20 0 IIADRN COc1cc2ccnc(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)c2cc1F ZINC001164989697 722186446 /nfs/dbraw/zinc/18/64/46/722186446.db2.gz PSRATYLSQRPWMN-RTWAWAEBSA-N 0 0 442.560 4.017 20 0 IIADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1nccc(Cl)n1)CC2 ZINC001164998892 722221119 /nfs/dbraw/zinc/22/11/19/722221119.db2.gz MRSBKSYWOOMFDS-SFHVURJKSA-N 0 0 432.902 4.255 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2ccnc(Cl)c2Cl)n1 ZINC001165000873 722226061 /nfs/dbraw/zinc/22/60/61/722226061.db2.gz VJQMINUDESWZDY-ZDUSSCGKSA-N 0 0 432.302 4.147 20 0 IIADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2ccc(Cl)c(Cl)n2)n1 ZINC001164998366 722226331 /nfs/dbraw/zinc/22/63/31/722226331.db2.gz BDAYEANHHGKQIJ-CYBMUJFWSA-N 0 0 432.302 4.147 20 0 IIADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1cc(Cl)cnc1Cl)CCO2 ZINC001165000104 722248526 /nfs/dbraw/zinc/24/85/26/722248526.db2.gz DLNJXXQWGXVGRA-SFHVURJKSA-N 0 0 446.281 4.038 20 0 IIADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1cc(Cl)cnc1Cl)CCO2 ZINC001165000102 722248605 /nfs/dbraw/zinc/24/86/05/722248605.db2.gz DLNJXXQWGXVGRA-GOSISDBHSA-N 0 0 446.281 4.038 20 0 IIADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)Oc2ccc(Cl)nc2)CC3)cs1 ZINC001165006593 722272475 /nfs/dbraw/zinc/27/24/75/722272475.db2.gz ORCLWRWYJFXDFV-INIZCTEOSA-N 0 0 445.919 4.269 20 0 IIADRN COc1ccc2sc(C(=O)N[C@@]3(C(=O)[O-])CCC[N@H+](Cc4ccccc4)C3)c(C)c2c1 ZINC001123372353 939822660 /nfs/dbraw/zinc/82/26/60/939822660.db2.gz MIBHOGSQDFLAIV-DEOSSOPVSA-N 0 0 438.549 4.068 20 0 IIADRN O=C([O-])[C@@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000426738782 1126085322 /nfs/dbraw/zinc/08/53/22/1126085322.db2.gz YWQLKNIXLKHJBU-QGZVFWFLSA-N 0 0 430.913 4.020 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000426714236 1126081556 /nfs/dbraw/zinc/08/15/56/1126081556.db2.gz CAJAWKJZEKQMPZ-HNNXBMFYSA-N 0 0 427.220 4.133 20 0 IIADRN Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000426721137 1126082184 /nfs/dbraw/zinc/08/21/84/1126082184.db2.gz RFUCIXDDCAFMDP-IBGZPJMESA-N 0 0 448.748 4.382 20 0 IIADRN Cc1cc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])ccc1Oc1cccnc1 ZINC000426720675 1126082291 /nfs/dbraw/zinc/08/22/91/1126082291.db2.gz OJXQLUGKSGSQCF-OAQYLSRUSA-N 0 0 434.492 4.129 20 0 IIADRN Cn1c(C[NH2+][C@H](Cc2c(F)cccc2Cl)C(=O)[O-])nc2cc(C(F)(F)F)ccc21 ZINC000426724230 1126082914 /nfs/dbraw/zinc/08/29/14/1126082914.db2.gz QMBVEQRFPOREJE-OAHLLOKOSA-N 0 0 429.801 4.170 20 0 IIADRN COc1cc(C[NH2+][C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])ccc1OCc1ccncc1 ZINC000426758266 1126088373 /nfs/dbraw/zinc/08/83/73/1126088373.db2.gz HJGQWGLNWSVVFM-FQEVSTJZSA-N 0 0 444.890 4.247 20 0 IIADRN COc1ccc(Br)cc1C[NH2+][C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000426761132 1126088890 /nfs/dbraw/zinc/08/88/90/1126088890.db2.gz XWSOUJFEWFQLHE-HNNXBMFYSA-N 0 0 443.135 4.006 20 0 IIADRN Cc1ccc(COc2ccc(C[NH2+][C@H](Cn3ccc(C(F)(F)F)n3)C(=O)[O-])cc2)cc1 ZINC000426753419 1126087446 /nfs/dbraw/zinc/08/74/46/1126087446.db2.gz IFBKRSQZLSPVTH-LJQANCHMSA-N 0 0 433.430 4.032 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000426754311 1126087612 /nfs/dbraw/zinc/08/76/12/1126087612.db2.gz PHEOGFVCJBJXEG-INIZCTEOSA-N 0 0 439.256 4.317 20 0 IIADRN Cc1cc(C)cc(C[C@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C(=O)[O-])c1 ZINC000426809434 1126091799 /nfs/dbraw/zinc/09/17/99/1126091799.db2.gz DIMDGHRQUHPEGB-NRFANRHFSA-N 0 0 431.458 4.353 20 0 IIADRN COc1cc(C[NH2+][C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])ccc1OCC(F)(F)F ZINC000426817781 1126092321 /nfs/dbraw/zinc/09/23/21/1126092321.db2.gz UINKHGPKUTVNNC-QGZVFWFLSA-N 0 0 440.393 4.042 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000426823319 1126092805 /nfs/dbraw/zinc/09/28/05/1126092805.db2.gz CHHWYMOKBHZDDL-FQEVSTJZSA-N 0 0 425.485 4.128 20 0 IIADRN Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H](Cc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000426824361 1126093119 /nfs/dbraw/zinc/09/31/19/1126093119.db2.gz MLQREDIVLFJQSB-IBGZPJMESA-N 0 0 435.858 4.221 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000756387537 1126108903 /nfs/dbraw/zinc/10/89/03/1126108903.db2.gz KWRFJXONJJRUOO-MRXNPFEDSA-N 0 0 427.444 4.245 20 0 IIADRN COc1ccc(N(C(C)=O)c2nc(CN[C@H](CO)Cc3ccc(C)c(C)c3)cs2)cc1 ZINC001462314554 1126197618 /nfs/dbraw/zinc/19/76/18/1126197618.db2.gz UHTOCQMZOLJLGA-FQEVSTJZSA-N 0 0 439.581 4.146 20 0 IIADRN O=c1nc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)[nH]c2scc(-c3ccco3)c21 ZINC001560100000 1126207334 /nfs/dbraw/zinc/20/73/34/1126207334.db2.gz CAVMBVVTPVDZAH-KDOFPFPSSA-N 0 0 449.454 4.281 20 0 IIADRN CC(=O)N(c1nc(CN[C@H](CO)Cc2ccc(C)cc2)cs1)c1cccc(Cl)c1 ZINC001621255895 1126246171 /nfs/dbraw/zinc/24/61/71/1126246171.db2.gz WJVSSWKYUAEKCF-IBGZPJMESA-N 0 0 429.973 4.483 20 0 IIADRN COc1ccc(C)cc1-n1c2nnc(S[C@H]3CCCCCC3=O)n2c2ccccc2c1=O ZINC000012521876 523799051 /nfs/dbraw/zinc/79/90/51/523799051.db2.gz ZVUYNWRZUGVRTB-NRFANRHFSA-N 0 0 448.548 4.344 20 0 IIADRN C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000008787873 556215222 /nfs/dbraw/zinc/21/52/22/556215222.db2.gz RNHZDVZZXLUIKE-HNNXBMFYSA-N 0 0 426.505 4.419 20 0 IIADRN CCOc1c(Br)cc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1OC ZINC000040721606 556647377 /nfs/dbraw/zinc/64/73/77/556647377.db2.gz YNCVREHOHHSYAF-SFHVURJKSA-N 0 0 447.329 4.123 20 0 IIADRN COc1ccc(C(=O)COC(=O)c2ccccc2C(=O)N(C)c2ccccc2)c(OC)c1 ZINC000003601128 562936794 /nfs/dbraw/zinc/93/67/94/562936794.db2.gz XITSGKHCAGEHRB-UHFFFAOYSA-N 0 0 433.460 4.020 20 0 IIADRN O=C(Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)cc1)c1ccco1 ZINC000004099424 562941799 /nfs/dbraw/zinc/94/17/99/562941799.db2.gz PPGOQBRTBZUXBN-HXUWFJFHSA-N 0 0 433.464 4.272 20 0 IIADRN CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)ccn1 ZINC000072174955 563165344 /nfs/dbraw/zinc/16/53/44/563165344.db2.gz UZXQEPVIDUBMKH-UHFFFAOYSA-N 0 0 433.489 4.188 20 0 IIADRN COC(=O)[C@@]1(C)CCCN1c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164392170 718805307 /nfs/dbraw/zinc/80/53/07/718805307.db2.gz YWTKPPHCXOCJGF-HSZRJFAPSA-N 0 0 428.602 4.088 20 0 IIADRN C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@]5(CCOC5)C4)c23)C1 ZINC001164392119 718807757 /nfs/dbraw/zinc/80/77/57/718807757.db2.gz YDPAWZMDKACICC-XDHUDOTRSA-N 0 0 426.630 4.419 20 0 IIADRN C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@@H]5COC[C@H]5C4)c23)C1 ZINC001164387824 718819187 /nfs/dbraw/zinc/81/91/87/718819187.db2.gz IXISRKAUFWOCJA-KZNAEPCWSA-N 0 0 426.630 4.275 20 0 IIADRN C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC5(C4)CCCOC5)c23)C1 ZINC001164413420 718882991 /nfs/dbraw/zinc/88/29/91/718882991.db2.gz HSPTYICNISKRIN-KRWDZBQOSA-N 0 0 426.630 4.419 20 0 IIADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164431855 718974414 /nfs/dbraw/zinc/97/44/14/718974414.db2.gz CBQMUVRLIOMSPS-GHTZIAJQSA-N 0 0 436.886 4.495 20 0 IIADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164431838 718982759 /nfs/dbraw/zinc/98/27/59/718982759.db2.gz BVVTXAWGJRUEMC-YLJYHZDGSA-N 0 0 428.907 4.097 20 0 IIADRN CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)CC2)CC1 ZINC001164617091 719035116 /nfs/dbraw/zinc/03/51/16/719035116.db2.gz GLUWNLZMSVHLIG-UHFFFAOYSA-N 0 0 441.950 4.099 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)COc4ccnc(Cl)c4)C[C@H]3O2)n1 ZINC001164635077 719261116 /nfs/dbraw/zinc/26/11/16/719261116.db2.gz HPYYBKGQLHCOCX-JCGIZDLHSA-N 0 0 438.906 4.472 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C[C@@H]3O2)n1 ZINC001164632763 719262917 /nfs/dbraw/zinc/26/29/17/719262917.db2.gz BBCLDHYEOLJYCQ-RCBQFDQVSA-N 0 0 448.905 4.426 20 0 IIADRN CN(C)c1cc(C(F)(F)N2C[C@@H]3O[C@@H](c4nc(C5CC5)cs4)C[C@H]3C2)nc(Cl)n1 ZINC001164648517 719290775 /nfs/dbraw/zinc/29/07/75/719290775.db2.gz URSSCZZFKSNRJS-YUTCNCBUSA-N 0 0 441.935 4.041 20 0 IIADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)C[C@@H]3O2)n1 ZINC001164656163 719298792 /nfs/dbraw/zinc/29/87/92/719298792.db2.gz WOCGYEFWLWMKNV-ONERCXAPSA-N 0 0 439.825 4.015 20 0 IIADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)C[C@@H]2CCCO[C@@H]12 ZINC001164653335 719324799 /nfs/dbraw/zinc/32/47/99/719324799.db2.gz HNXMBHQPRDURIH-LDQXTDLNSA-N 0 0 449.929 4.333 20 0 IIADRN COC(=O)c1cc(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@H]32)cnc1Cl ZINC001164659162 719342620 /nfs/dbraw/zinc/34/26/20/719342620.db2.gz AJXQAGGTXVPTGX-KURKYZTESA-N 0 0 444.906 4.010 20 0 IIADRN COC(=O)c1ccc(C(F)(F)N2CCO[C@@H]3[C@@H](OCC4CCCC4)CC[C@@H]32)c(Cl)n1 ZINC001164659806 719342945 /nfs/dbraw/zinc/34/29/45/719342945.db2.gz FIXMDQMMAYKCSK-BZSNNMDCSA-N 0 0 444.906 4.010 20 0 IIADRN COC(=O)c1ccc(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@H]32)c(Cl)n1 ZINC001164659815 719342970 /nfs/dbraw/zinc/34/29/70/719342970.db2.gz FIXMDQMMAYKCSK-KURKYZTESA-N 0 0 444.906 4.010 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3ccoc31)CC2 ZINC001164661618 719345693 /nfs/dbraw/zinc/34/56/93/719345693.db2.gz LUOKEQWRSOVHOE-UHFFFAOYSA-N 0 0 428.540 4.226 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)cc(Cl)n1)CC2 ZINC001164663565 719349223 /nfs/dbraw/zinc/34/92/23/719349223.db2.gz KSOAWQYPXSORGA-UHFFFAOYSA-N 0 0 437.975 4.438 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164659577 719352970 /nfs/dbraw/zinc/35/29/70/719352970.db2.gz QWQNULMSYKGUTC-UHFFFAOYSA-N 0 0 447.974 4.306 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(OCC(C)C)n1)CC2 ZINC001164658573 719353614 /nfs/dbraw/zinc/35/36/14/719353614.db2.gz JJTQUULSZLDENO-UHFFFAOYSA-N 0 0 446.599 4.206 20 0 IIADRN CCOC[C@@H]1CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)Cc2nn(CC3CC3)cc21 ZINC001164663236 719363711 /nfs/dbraw/zinc/36/37/11/719363711.db2.gz IGGQFAUIVSTNNP-ZDUSSCGKSA-N 0 0 446.329 4.161 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2cnc4c(Cl)cccc4n2)CC3)cc1 ZINC001164674444 719502421 /nfs/dbraw/zinc/50/24/21/719502421.db2.gz XMYMLMFIVHXGMR-UHFFFAOYSA-N 0 0 426.923 4.294 20 0 IIADRN CC(C)(C)OC(=O)c1ccc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1 ZINC001164673202 719508572 /nfs/dbraw/zinc/50/85/72/719508572.db2.gz PRPFXZGWAHESNT-UHFFFAOYSA-N 0 0 441.547 4.047 20 0 IIADRN COc1ccc(-c2ccc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)nn2)cc1 ZINC001164673993 719521715 /nfs/dbraw/zinc/52/17/15/719521715.db2.gz XLNUPXKKTBCQRL-UHFFFAOYSA-N 0 0 448.542 4.163 20 0 IIADRN COC(=O)c1cccc2nc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)ccc21 ZINC001164677891 719527765 /nfs/dbraw/zinc/52/77/65/719527765.db2.gz HZMSTYLMJWJNJZ-UHFFFAOYSA-N 0 0 449.526 4.032 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2ncnc4[nH]c5cc(F)ccc5c42)CC3)cc1 ZINC001164677796 719532892 /nfs/dbraw/zinc/53/28/92/719532892.db2.gz GRSZDBKRTIAMCK-UHFFFAOYSA-N 0 0 449.505 4.261 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1cnc(Cl)c(Cl)c1)C[C@@H]2COc1cccnc1 ZINC001164682648 719595516 /nfs/dbraw/zinc/59/55/16/719595516.db2.gz DEBNJWSAIWTQBX-GFCCVEGCSA-N 0 0 440.281 4.245 20 0 IIADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2ccc3ccc(Cl)nc3c2)N1Cc1cccnc1 ZINC001164690693 719766231 /nfs/dbraw/zinc/76/62/31/719766231.db2.gz HCMFDFGOVRANRW-OALUTQOASA-N 0 0 428.870 4.208 20 0 IIADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2ccc(Cl)nc2C(F)(F)F)N1Cc1cccnc1 ZINC001164692072 719774302 /nfs/dbraw/zinc/77/43/02/719774302.db2.gz RKDDHOOZPWGCBU-UONOGXRCSA-N 0 0 446.807 4.074 20 0 IIADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2cnc(Cl)cc2N)CC3)cs1 ZINC001164693112 719809063 /nfs/dbraw/zinc/80/90/63/719809063.db2.gz QIKZQDDIBTWBBU-UHFFFAOYSA-N 0 0 427.952 4.262 20 0 IIADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2ccc4c(Cl)ncnc4c2)CC3)cn1 ZINC001164702152 719825033 /nfs/dbraw/zinc/82/50/33/719825033.db2.gz QZJAPFVYLGRIDJ-CQSZACIVSA-N 0 0 433.890 4.105 20 0 IIADRN CSc1ccc(C(F)(F)N2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)nc1Cl ZINC001164698135 719825864 /nfs/dbraw/zinc/82/58/64/719825864.db2.gz RRQMDPRSYABXEQ-CYBMUJFWSA-N 0 0 428.936 4.278 20 0 IIADRN COc1ccccc1-c1ccnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164707516 719899414 /nfs/dbraw/zinc/89/94/14/719899414.db2.gz SKYSJFANYMZUGU-UHFFFAOYSA-N 0 0 436.581 4.085 20 0 IIADRN FC(F)(c1cc2ccccc2nc1Cl)N1CCOC[C@@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164809181 720049442 /nfs/dbraw/zinc/04/94/42/720049442.db2.gz ZDVLWUSFECXQTN-LAUBAEHRSA-N 0 0 448.901 4.084 20 0 IIADRN FC(F)(c1cccc2c(Cl)nccc21)N1CCOC[C@@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164803900 720049473 /nfs/dbraw/zinc/04/94/73/720049473.db2.gz KYXCXSCJTQBHRU-IIBYNOLFSA-N 0 0 448.901 4.084 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164717960 720066241 /nfs/dbraw/zinc/06/62/41/720066241.db2.gz ZPOGJUJASBFCOT-RCCFBDPRSA-N 0 0 427.854 4.254 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3OC)nnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164713657 720066544 /nfs/dbraw/zinc/06/65/44/720066544.db2.gz OLEAJPGOPZLMEF-QRQLOZEOSA-N 0 0 439.890 4.123 20 0 IIADRN Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)cn1 ZINC001164713859 720078090 /nfs/dbraw/zinc/07/80/90/720078090.db2.gz UZRGZIIMKDUMBU-MOPGFXCFSA-N 0 0 449.933 4.445 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(Cl)c2)cs1 ZINC001164815140 720250897 /nfs/dbraw/zinc/25/08/97/720250897.db2.gz BCLIRTBPNSEHDD-KBPBESRZSA-N 0 0 447.338 4.468 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)c(Cl)n2)cs1 ZINC001164815658 720254706 /nfs/dbraw/zinc/25/47/06/720254706.db2.gz CZJUWWOFLOPDEW-ZIAGYGMSSA-N 0 0 447.338 4.468 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)Sc2ccc(Cl)nc2)cs1 ZINC001164816313 720260542 /nfs/dbraw/zinc/26/05/42/720260542.db2.gz HVRYREZTGMIPMB-HUUCEWRRSA-N 0 0 444.960 4.408 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)Sc2ccc(Cl)nc2)cs1 ZINC001164816315 720260822 /nfs/dbraw/zinc/26/08/22/720260822.db2.gz HVRYREZTGMIPMB-LSDHHAIUSA-N 0 0 444.960 4.408 20 0 IIADRN O=C1N(CC2CC2)CC[C@@]12CCCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001164819840 720278962 /nfs/dbraw/zinc/27/89/62/720278962.db2.gz SKTGFUIYYPTUJN-HXUWFJFHSA-N 0 0 438.881 4.196 20 0 IIADRN Cc1nc(CO[C@H]2CN(C(F)(F)c3cc(C)nc(Cl)c3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164822879 720386866 /nfs/dbraw/zinc/38/68/66/720386866.db2.gz MRAABJVOFNFPPR-XYJFISCASA-N 0 0 429.920 4.306 20 0 IIADRN COc1ccc(C(F)(F)N2C[C@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)c(Cl)n1 ZINC001164824447 720389291 /nfs/dbraw/zinc/38/92/91/720389291.db2.gz RYLWTFLIVJVVMD-VYDXJSESSA-N 0 0 445.919 4.006 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(C)c(C)c(Cl)n3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164822341 720390754 /nfs/dbraw/zinc/39/07/54/720390754.db2.gz LHHMSFOSFANTGO-ARFHVFGLSA-N 0 0 444.935 4.010 20 0 IIADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3nc(Cl)c4cccc(F)c4n3)O2)n1 ZINC001164829706 720403186 /nfs/dbraw/zinc/40/31/86/720403186.db2.gz OAEDQNABZAFFEG-MCIONIFRSA-N 0 0 439.825 4.158 20 0 IIADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3cc(-c4ccco4)nnc3Cl)O2)n1 ZINC001164830937 720408305 /nfs/dbraw/zinc/40/83/05/720408305.db2.gz SPNYIHUAUAUIMQ-BMFZPTHFSA-N 0 0 437.834 4.125 20 0 IIADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C[C@H]21 ZINC001164827664 720423279 /nfs/dbraw/zinc/42/32/79/720423279.db2.gz VABWUPKVOPSAPY-MDZRGWNJSA-N 0 0 437.918 4.047 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164736171 720537820 /nfs/dbraw/zinc/53/78/20/720537820.db2.gz UZWQHEUHZKOGSZ-KUHUBIRLSA-N 0 0 427.854 4.269 20 0 IIADRN Fc1cc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COc3ccccn3)C2)cnc1Cl ZINC001164734671 720538349 /nfs/dbraw/zinc/53/83/49/720538349.db2.gz KDRLOOSHZVDHEI-KUHUBIRLSA-N 0 0 427.854 4.269 20 0 IIADRN Cc1nc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)nc(Cl)c1C ZINC001164734692 720539981 /nfs/dbraw/zinc/53/99/81/720539981.db2.gz KNKUUPLOSRPSIT-OXJNMPFZSA-N 0 0 438.906 4.141 20 0 IIADRN O=C1CC[C@@H]2[C@@H](CCN2C(F)(F)Cc2nc(Cl)cc(Cl)n2)N1c1ccccc1 ZINC001164844767 720765261 /nfs/dbraw/zinc/76/52/61/720765261.db2.gz CVKMJBXFHYCWPE-ZIAGYGMSSA-N 0 0 427.282 4.189 20 0 IIADRN COc1cc(C(F)(F)N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)cc(Cl)n1 ZINC001164849492 720770950 /nfs/dbraw/zinc/77/09/50/720770950.db2.gz SVHGLAHMMLBRMF-KURKYZTESA-N 0 0 439.890 4.027 20 0 IIADRN Clc1ccc(CN2CCCC2)c(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)n1 ZINC001164845094 720774688 /nfs/dbraw/zinc/77/46/88/720774688.db2.gz DNYUJWPNUQUIBQ-FSSWDIPSSA-N 0 0 442.991 4.069 20 0 IIADRN COC[C@@]12CCC[C@@H]1CN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164846686 720791649 /nfs/dbraw/zinc/79/16/49/720791649.db2.gz KEDQSNMROBAJPY-OSPHWJPCSA-N 0 0 426.630 4.419 20 0 IIADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4cnc(Cl)nc4Cl)C3)C2=O)c1 ZINC001164854153 720806187 /nfs/dbraw/zinc/80/61/87/720806187.db2.gz SZPIAGLYSUKOKE-LJQANCHMSA-N 0 0 441.309 4.266 20 0 IIADRN Cc1nc([C@H]2COCCN2c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)cs1 ZINC001164746864 720862219 /nfs/dbraw/zinc/86/22/19/720862219.db2.gz GURZRNHQDXWSEF-HXUWFJFHSA-N 0 0 441.988 4.031 20 0 IIADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C2)CC1 ZINC001164860995 720894481 /nfs/dbraw/zinc/89/44/81/720894481.db2.gz WZJGJSJPIMWQEX-UHFFFAOYSA-N 0 0 445.901 4.289 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1CC[C@]2(C1)C[C@@H](NC(=O)c1ccccc1)CCO2 ZINC001164859414 720899304 /nfs/dbraw/zinc/89/93/04/720899304.db2.gz QDWIZIWZCZSDAS-LAUBAEHRSA-N 0 0 435.902 4.146 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)c1 ZINC001164861901 720899380 /nfs/dbraw/zinc/89/93/80/720899380.db2.gz ZDUJGOHGKPFIEG-UWJYYQICSA-N 0 0 435.902 4.146 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164755871 720983284 /nfs/dbraw/zinc/98/32/84/720983284.db2.gz CMNKBHMGVGUWHS-CYBMUJFWSA-N 0 0 433.286 4.073 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164767761 721027848 /nfs/dbraw/zinc/02/78/48/721027848.db2.gz STHQFIWEBSJKCV-KXBFYZLASA-N 0 0 427.854 4.159 20 0 IIADRN CCn1nnc2c1CCN(C(F)(F)c1cccnc1Cl)[C@@H]2COCc1ccccc1 ZINC001164759194 721047421 /nfs/dbraw/zinc/04/74/21/721047421.db2.gz KKCUTZMGWOCAGP-GOSISDBHSA-N 0 0 433.890 4.212 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc(Cl)c(Cl)n2)n1 ZINC001164765937 721052526 /nfs/dbraw/zinc/05/25/26/721052526.db2.gz DURVJPJDCFMADC-LSDHHAIUSA-N 0 0 427.282 4.017 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)c1 ZINC001164771946 721054904 /nfs/dbraw/zinc/05/49/04/721054904.db2.gz NSRWBZNRMGCNIB-SJORKVTESA-N 0 0 438.931 4.085 20 0 IIADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164869023 721218467 /nfs/dbraw/zinc/21/84/67/721218467.db2.gz AGGFVOROAUYKFV-UHFFFAOYSA-N 0 0 433.890 4.032 20 0 IIADRN CSc1ccc(C(F)(F)N2CCC3(CC2)CN(c2ccccn2)CCO3)nc1Cl ZINC001164869672 721219574 /nfs/dbraw/zinc/21/95/74/721219574.db2.gz DQYDMTJCOBVNKA-UHFFFAOYSA-N 0 0 440.947 4.273 20 0 IIADRN O=C(N1CCCC1)C12CC(C1)CN2C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164871123 721236976 /nfs/dbraw/zinc/23/69/76/721236976.db2.gz CUCAXXUABLUBFI-UHFFFAOYSA-N 0 0 427.282 4.073 20 0 IIADRN CSc1nc(Cl)cc(C(F)(F)N2CCn3c(COCC4CC4)cnc3[C@H]2C)n1 ZINC001164874034 721239479 /nfs/dbraw/zinc/23/94/79/721239479.db2.gz SLLBXYIJGLEWSU-LLVKDONJSA-N 0 0 429.924 4.101 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164879811 721246313 /nfs/dbraw/zinc/24/63/13/721246313.db2.gz ZGXGUYVYGYWEQI-UXPWSPDFSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164877245 721247717 /nfs/dbraw/zinc/24/77/17/721247717.db2.gz QJMZMDUWZJNUEY-AHRSYUTCSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1cnc(Cl)cc1Cl)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164767624 721272269 /nfs/dbraw/zinc/27/22/69/721272269.db2.gz SAGKESWZBRWJDK-ZDUSSCGKSA-N 0 0 440.281 4.240 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164766940 721272432 /nfs/dbraw/zinc/27/24/32/721272432.db2.gz PIWDQWRTTIYFRN-CYBMUJFWSA-N 0 0 440.281 4.240 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2CN(C(=O)c3ccsc3)CCO[C@@H]2C1 ZINC001164876592 721298031 /nfs/dbraw/zinc/29/80/31/721298031.db2.gz JCRQNFSIYNKBKT-GOEBONIOSA-N 0 0 441.931 4.017 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)c1 ZINC001164874955 721298136 /nfs/dbraw/zinc/29/81/36/721298136.db2.gz FOKGMPJFYMLKQW-GOEBONIOSA-N 0 0 441.931 4.017 20 0 IIADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164880008 721310822 /nfs/dbraw/zinc/31/08/22/721310822.db2.gz OPGWOYDZOJKFSB-VBNZEHGJSA-N 0 0 430.282 4.391 20 0 IIADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164881416 721310899 /nfs/dbraw/zinc/31/08/99/721310899.db2.gz VYMTYUSLOVHQHO-VBNZEHGJSA-N 0 0 430.282 4.391 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164879049 721311817 /nfs/dbraw/zinc/31/18/17/721311817.db2.gz MOTJKXPELFIBFX-GDIGMMSISA-N 0 0 446.885 4.286 20 0 IIADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164881110 721312683 /nfs/dbraw/zinc/31/26/83/721312683.db2.gz UTASDNURTLIRGN-VHDGCEQUSA-N 0 0 430.282 4.391 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001164880200 721317468 /nfs/dbraw/zinc/31/74/68/721317468.db2.gz WIGOQXGBMDLPQW-INIZCTEOSA-N 0 0 430.886 4.261 20 0 IIADRN CCN1CC[C@]2(CN(c3nc(CN(C)C)nc4scc(-c5ccccc5)c43)C[C@H]2C)C1=O ZINC001164779014 721322131 /nfs/dbraw/zinc/32/21/31/721322131.db2.gz TVXXNQZTPJUTJA-CRICUBBOSA-N 0 0 449.624 4.115 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3cc(-c4cccc(C)c4)nnc3Cl)C[C@@H]2C)C1=O ZINC001164775881 721322938 /nfs/dbraw/zinc/32/29/38/721322938.db2.gz AHJFAXTZLCDDFV-YCRPNKLZSA-N 0 0 434.918 4.345 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cnc4cc(Cl)ccc4n3)C2)C1 ZINC001164779103 721345084 /nfs/dbraw/zinc/34/50/84/721345084.db2.gz QXRUVKXYZJQFMD-QHCPKHFHSA-N 0 0 441.963 4.007 20 0 IIADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)N1c1ccsc1 ZINC001164882584 721357863 /nfs/dbraw/zinc/35/78/63/721357863.db2.gz JYZNTRKNVKYELC-CABCVRRESA-N 0 0 447.898 4.183 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164779630 721382809 /nfs/dbraw/zinc/38/28/09/721382809.db2.gz BKMUFLGIJUCMJS-UZLBHIALSA-N 0 0 441.881 4.406 20 0 IIADRN FC(F)(Oc1cccnc1Cl)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164780160 721383779 /nfs/dbraw/zinc/38/37/79/721383779.db2.gz FFEJWZDXDCKBEP-YLJYHZDGSA-N 0 0 439.890 4.147 20 0 IIADRN Fc1ccc(Oc2ccc(Cl)nn2)c(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1 ZINC001164788912 721425832 /nfs/dbraw/zinc/42/58/32/721425832.db2.gz UEZIJRBNPAJGMG-OKILXGFUSA-N 0 0 431.924 4.086 20 0 IIADRN Cc1nc2sc3c(c2c(N2C[C@H]4CN(Cc5nccs5)C[C@@H]4C2)n1)CCCCC3 ZINC001164789688 721427466 /nfs/dbraw/zinc/42/74/66/721427466.db2.gz WIWLREYPGXBLKZ-HZPDHXFCSA-N 0 0 425.627 4.293 20 0 IIADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164785450 721434908 /nfs/dbraw/zinc/43/49/08/721434908.db2.gz NJOWKKXFGYDACM-GHMZBOCLSA-N 0 0 438.853 4.323 20 0 IIADRN Cc1cccc(Oc2nc(Cl)ncc2N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1 ZINC001164782542 721436389 /nfs/dbraw/zinc/43/63/89/721436389.db2.gz GLYPMZFHDLPYRJ-IYBDPMFKSA-N 0 0 427.961 4.255 20 0 IIADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cnc(Cl)nc2)CCO3)cs1 ZINC001164781516 721443324 /nfs/dbraw/zinc/44/33/24/721443324.db2.gz GDCFMFZTGTZGML-KDOFPFPSSA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cnnc(Cl)c2)CCO3)cs1 ZINC001164781975 721443920 /nfs/dbraw/zinc/44/39/20/721443920.db2.gz HTXRULNKSQEKFK-KSSFIOAISA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4cccc(Cl)n4)C3)C2=O)cs1 ZINC001164885403 721460508 /nfs/dbraw/zinc/46/05/08/721460508.db2.gz DONYZFJCKITPBN-SFHVURJKSA-N 0 0 426.920 4.064 20 0 IIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC[C@@H]21 ZINC001164890673 721467136 /nfs/dbraw/zinc/46/71/36/721467136.db2.gz KWQHKHVLCBIBAK-LPHOPBHVSA-N 0 0 434.918 4.425 20 0 IIADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001164893432 721475418 /nfs/dbraw/zinc/47/54/18/721475418.db2.gz ISIUBLNBTFDBIZ-OAQYLSRUSA-N 0 0 445.901 4.318 20 0 IIADRN Fc1cccnc1OC[C@@]12COC[C@@H]1CN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001164792771 721487057 /nfs/dbraw/zinc/48/70/57/721487057.db2.gz LRRZDTUVDHBYPX-LHSJRXKWSA-N 0 0 449.860 4.499 20 0 IIADRN Fc1cccnc1OC[C@@]12COC[C@@H]1CN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164793214 721487082 /nfs/dbraw/zinc/48/70/82/721487082.db2.gz PRIVJSNHKVQLOB-YCRPNKLZSA-N 0 0 449.860 4.499 20 0 IIADRN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1cccc3ccnc(Cl)c31)CC2 ZINC001164900615 721489672 /nfs/dbraw/zinc/48/96/72/721489672.db2.gz QZOXLSBXKZZSDE-MRXNPFEDSA-N 0 0 449.929 4.477 20 0 IIADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164898764 721502600 /nfs/dbraw/zinc/50/26/00/721502600.db2.gz UYYZTVQTUXJTMT-KRWDZBQOSA-N 0 0 441.950 4.003 20 0 IIADRN FC(F)(c1cnc2c(Cl)ncnc2c1)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164796575 721506611 /nfs/dbraw/zinc/50/66/11/721506611.db2.gz SHMRDSNPKKKETH-VLIAUNLRSA-N 0 0 431.874 4.304 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164808380 721528861 /nfs/dbraw/zinc/52/88/61/721528861.db2.gz RUCHUVOTSZVZEW-RCCFBDPRSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)cnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164802559 721532128 /nfs/dbraw/zinc/53/21/28/721532128.db2.gz HAFXZUXRZBZJCO-KURKYZTESA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc3ccc(Cl)cc3nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164799889 721546162 /nfs/dbraw/zinc/54/61/62/721546162.db2.gz BRCDLOLOOJVEHH-VAMGGRTRSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ncc2-c2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164808028 721556034 /nfs/dbraw/zinc/55/60/34/721556034.db2.gz UMGSWTJZWNQKGT-BDTNDASRSA-N 0 0 435.959 4.060 20 0 IIADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(C[C@H]3C(=O)N(C)C)CC2)n1 ZINC001164902298 721570628 /nfs/dbraw/zinc/57/06/28/721570628.db2.gz JMOWNKMAESRYLH-IBGZPJMESA-N 0 0 449.624 4.115 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4ccc(Cl)cc4c32)[C@@H]2CCCO[C@@H]12 ZINC001164806041 721573206 /nfs/dbraw/zinc/57/32/06/721573206.db2.gz PEXRAFRHOWRTOG-KCZVDYSFSA-N 0 0 448.958 4.028 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)[C@@H]2CCCO[C@@H]12 ZINC001164808320 721581356 /nfs/dbraw/zinc/58/13/56/721581356.db2.gz QKVHCWPOONYGRU-CQOQZXRMSA-N 0 0 435.959 4.060 20 0 IIADRN Cc1cc(C(F)(F)N2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)c(Cl)nn1 ZINC001164803868 721603997 /nfs/dbraw/zinc/60/39/97/721603997.db2.gz WPUYBOVUAJCOJW-MRXNPFEDSA-N 0 0 438.906 4.080 20 0 IIADRN FC(F)(c1cccc2ccnc(Cl)c21)N1CCOC[C@@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164806537 721607780 /nfs/dbraw/zinc/60/77/80/721607780.db2.gz TWOCKMVPZCNBEO-DYESRHJHSA-N 0 0 448.901 4.084 20 0 IIADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(CCCN3C(=O)C(C)C)C2)n1 ZINC001165008245 721726373 /nfs/dbraw/zinc/72/63/73/721726373.db2.gz LIHVANOEIJQAAM-DEOSSOPVSA-N 0 0 443.661 4.377 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)[C@@H]2C1 ZINC001165016761 721772127 /nfs/dbraw/zinc/77/21/27/721772127.db2.gz QBOVNZUNZVJUSH-CZUORRHYSA-N 0 0 448.857 4.269 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)c1 ZINC001164916500 721802607 /nfs/dbraw/zinc/80/26/07/721802607.db2.gz PNJXEBUYZALGRZ-KRWDZBQOSA-N 0 0 429.849 4.120 20 0 IIADRN Fc1ccc(C(F)(F)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)nc1Cl ZINC001164919540 721809088 /nfs/dbraw/zinc/80/90/88/721809088.db2.gz ZETAADONSCGBAR-PVXIVEMSSA-N 0 0 433.883 4.076 20 0 IIADRN Cc1ccc(C(F)(F)N2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)nc1Cl ZINC001164918648 721810129 /nfs/dbraw/zinc/81/01/29/721810129.db2.gz SLRNWQRXGMPSNN-GRDNDAEWSA-N 0 0 429.920 4.245 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncnc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164943225 721940393 /nfs/dbraw/zinc/94/03/93/721940393.db2.gz ONONIVRIEVDEKC-RTWAWAEBSA-N 0 0 447.564 4.053 20 0 IIADRN COc1cc(C(F)(F)N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)cc(Cl)n1 ZINC001164942421 721965403 /nfs/dbraw/zinc/96/54/03/721965403.db2.gz BRXJRMUZTQDCNP-RXVVDRJESA-N 0 0 435.902 4.057 20 0 IIADRN CCN(CCC(N)=O)c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001165047805 721984279 /nfs/dbraw/zinc/98/42/79/721984279.db2.gz QSNHFRMTNPVHRA-UHFFFAOYSA-N 0 0 429.615 4.107 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001164963390 722027844 /nfs/dbraw/zinc/02/78/44/722027844.db2.gz SRWKSZDFFNMIMT-RRFJBIMHSA-N 0 0 434.245 4.283 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1ccc(Cl)c(Cl)n1 ZINC001164959854 722028812 /nfs/dbraw/zinc/02/88/12/722028812.db2.gz SLOQDBOZVGHXEN-UMVBOHGHSA-N 0 0 434.245 4.283 20 0 IIADRN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001164957077 722034442 /nfs/dbraw/zinc/03/44/42/722034442.db2.gz LAUHFDSSKOQBKZ-SIKLNZKXSA-N 0 0 442.897 4.361 20 0 IIADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C[C@@H]3O2)n1 ZINC001164963501 722040943 /nfs/dbraw/zinc/04/09/43/722040943.db2.gz RNLHAKMBYSAAJF-WDSOQIARSA-N 0 0 446.885 4.475 20 0 IIADRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4ccc5ncnc(Cl)c5n4)C3)CC2=O)s1 ZINC001164962591 722044086 /nfs/dbraw/zinc/04/40/86/722044086.db2.gz POEHCUGWGPDWDL-IBGZPJMESA-N 0 0 449.914 4.226 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2ccc(Cl)nc2)[C@H]3C)c1 ZINC001164966294 722062694 /nfs/dbraw/zinc/06/26/94/722062694.db2.gz PZNCCVNAVRRQGX-HNNXBMFYSA-N 0 0 433.890 4.478 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cccnc2Cl)[C@H]3C)c1 ZINC001164965015 722062825 /nfs/dbraw/zinc/06/28/25/722062825.db2.gz HZHILAFRJKEHBN-HNNXBMFYSA-N 0 0 433.890 4.478 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc(N)cc(Cl)n2)[C@H]3C)c1 ZINC001164966931 722063206 /nfs/dbraw/zinc/06/32/06/722063206.db2.gz ZNCULGPAOVRHLU-AWEZNQCLSA-N 0 0 448.905 4.060 20 0 IIADRN O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)c1cccc2ccnc(Cl)c21 ZINC001164964480 722064816 /nfs/dbraw/zinc/06/48/16/722064816.db2.gz HAWSTQAXPPTXJE-CVEARBPZSA-N 0 0 434.899 4.383 20 0 IIADRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cccc2c(Cl)nccc21 ZINC001164966079 722065053 /nfs/dbraw/zinc/06/50/53/722065053.db2.gz OBPBJRKVKJRCQJ-DLBZAZTESA-N 0 0 434.899 4.383 20 0 IIADRN Fc1ccccc1-c1cc(C(F)(F)N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)cnc1Cl ZINC001164967861 722076612 /nfs/dbraw/zinc/07/66/12/722076612.db2.gz LHFDVSYHXUNFJE-CALCHBBNSA-N 0 0 437.893 4.385 20 0 IIADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164968555 722082794 /nfs/dbraw/zinc/08/27/94/722082794.db2.gz DPSILBFWQHAKPA-UHFFFAOYSA-N 0 0 443.841 4.353 20 0 IIADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164968322 722082831 /nfs/dbraw/zinc/08/28/31/722082831.db2.gz BBJGBMOKDACCEH-UHFFFAOYSA-N 0 0 427.238 4.458 20 0 IIADRN CC(=O)N1CCC[C@@]2(C1)CN(C(F)(F)c1cnc(Cl)c(-c3cccc(C)c3)c1)CCO2 ZINC001164970410 722084355 /nfs/dbraw/zinc/08/43/55/722084355.db2.gz YANLDVMRUIZCKB-JOCHJYFZSA-N 0 0 449.929 4.473 20 0 IIADRN COc1ccc(C(F)(F)N2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)c(Cl)n1 ZINC001164972849 722091527 /nfs/dbraw/zinc/09/15/27/722091527.db2.gz IHRUPOQTPSPXHC-HNNXBMFYSA-N 0 0 427.923 4.201 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)C[C@@H]21 ZINC001164984727 722097468 /nfs/dbraw/zinc/09/74/68/722097468.db2.gz UFPARXFDTKHVHL-GRDNDAEWSA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc43)C[C@H]21 ZINC001164985861 722097515 /nfs/dbraw/zinc/09/75/15/722097515.db2.gz XGLDNFJMDVPZJO-FRQCXROJSA-N 0 0 445.901 4.307 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)C[C@H]21 ZINC001164986061 722097917 /nfs/dbraw/zinc/09/79/17/722097917.db2.gz XVGIJSVWKDWYRQ-GPMSIDNRSA-N 0 0 447.917 4.098 20 0 IIADRN O=C1CC2(CCN(C(F)(F)c3cnc(Cl)cn3)CC2)c2ccccc2N1CC1CC1 ZINC001164971701 722160757 /nfs/dbraw/zinc/16/07/57/722160757.db2.gz DDWVPCQSCYQFLB-UHFFFAOYSA-N 0 0 432.902 4.360 20 0 IIADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C2)c2ccccc2N(C)C3=O)n1 ZINC001164980580 722162542 /nfs/dbraw/zinc/16/25/42/722162542.db2.gz NMIMOIMOGUDEEV-VWLOTQADSA-N 0 0 449.624 4.274 20 0 IIADRN NC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2c3ccccc3[C@H](OCC3CC3)[C@@H]2C1 ZINC001164978796 722171404 /nfs/dbraw/zinc/17/14/04/722171404.db2.gz SHKLMOKHSORFTL-HLIPFELVSA-N 0 0 433.886 4.080 20 0 IIADRN FC(F)(c1nc(Cl)nc2[nH]cnc21)N1C[C@@H]2c3ccccc3[C@H](OCC3CC3)[C@@H]2C1 ZINC001164978737 722171415 /nfs/dbraw/zinc/17/14/15/722171415.db2.gz SBMUWSDIKNLSHA-INMHGKMJSA-N 0 0 431.874 4.204 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5c(C)cccc54)CC[C@H]32)cs1 ZINC001164991924 722179357 /nfs/dbraw/zinc/17/93/57/722179357.db2.gz ZFEANLYWZBHVNI-MOPGFXCFSA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cnc(Cl)c(F)c4)CC[C@H]32)cs1 ZINC001164985964 722180828 /nfs/dbraw/zinc/18/08/28/722180828.db2.gz CTOLBZBFDQCGDV-SJORKVTESA-N 0 0 446.926 4.054 20 0 IIADRN CSc1ccnc(Cl)c1N1CC[C@@H]2[C@H](CC1)OCCN2Cc1csc(C)n1 ZINC001164986638 722183860 /nfs/dbraw/zinc/18/38/60/722183860.db2.gz DZENGAAYTQEJEX-CVEARBPZSA-N 0 0 425.023 4.092 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(F)cc5ncnc(Cl)c54)CC[C@@H]32)cs1 ZINC001164987040 722184580 /nfs/dbraw/zinc/18/45/80/722184580.db2.gz ISLMZFBZCQQTQN-HKUYNNGSSA-N 0 0 447.967 4.057 20 0 IIADRN CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)[C@H]2C1 ZINC001164996948 722217524 /nfs/dbraw/zinc/21/75/24/722217524.db2.gz PAEBMJNFCYDMNL-JVPBZIDWSA-N 0 0 441.950 4.057 20 0 IIADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN([C@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164998971 722221116 /nfs/dbraw/zinc/22/11/16/722221116.db2.gz NIXNVIVTWHJSCB-IRLDBZIGSA-N 0 0 429.923 4.443 20 0 IIADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN([C@@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164998974 722221145 /nfs/dbraw/zinc/22/11/45/722221145.db2.gz NIXNVIVTWHJSCB-RBBKRZOGSA-N 0 0 429.923 4.443 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2ccc(Cl)c(Cl)n2)n1 ZINC001164998368 722226915 /nfs/dbraw/zinc/22/69/15/722226915.db2.gz BDAYEANHHGKQIJ-ZDUSSCGKSA-N 0 0 432.302 4.147 20 0 IIADRN C[C@@H]1CN(C(F)(F)c2cccnc2Cl)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008943 722273469 /nfs/dbraw/zinc/27/34/69/722273469.db2.gz MDKSRMYOWZCSLF-ZTQAJYAQSA-N 0 0 436.890 4.078 20 0 IIADRN O=C([O-])[C@@]1(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC001123372264 939822865 /nfs/dbraw/zinc/82/28/65/939822865.db2.gz KIRUMNKKCGKEDR-SXWKCWPCSA-N 0 0 447.362 4.333 20 0 IIADRN O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000426739910 1126085507 /nfs/dbraw/zinc/08/55/07/1126085507.db2.gz FMLMJMMRMNAMRX-INIZCTEOSA-N 0 0 445.140 4.476 20 0 IIADRN COc1ccccc1-c1ccc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000426730788 1126083963 /nfs/dbraw/zinc/08/39/63/1126083963.db2.gz MIYDQSZFCQYPBV-JOCHJYFZSA-N 0 0 433.504 4.309 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000426770631 1126089464 /nfs/dbraw/zinc/08/94/64/1126089464.db2.gz ULGVHFUDLKYPNG-QGZVFWFLSA-N 0 0 433.382 4.480 20 0 IIADRN O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000426746269 1126086284 /nfs/dbraw/zinc/08/62/84/1126086284.db2.gz JITFJHQDWGPYDW-HXUWFJFHSA-N 0 0 438.940 4.435 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000426747342 1126086493 /nfs/dbraw/zinc/08/64/93/1126086493.db2.gz OOMXXQDSYPEVLU-HNNXBMFYSA-N 0 0 431.099 4.136 20 0 IIADRN O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000426748340 1126086712 /nfs/dbraw/zinc/08/67/12/1126086712.db2.gz WNXORRVAWZYUKO-HXUWFJFHSA-N 0 0 438.940 4.435 20 0 IIADRN COc1cc(C)c(C[NH2+][C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cc1OC ZINC000426753426 1126087419 /nfs/dbraw/zinc/08/74/19/1126087419.db2.gz IGEBZPOSUCTEAZ-KRWDZBQOSA-N 0 0 447.329 4.042 20 0 IIADRN Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H](Cc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000426824364 1126093127 /nfs/dbraw/zinc/09/31/27/1126093127.db2.gz MLQREDIVLFJQSB-LJQANCHMSA-N 0 0 435.858 4.221 20 0 IIADRN CC(=O)N(c1nc(CN[C@H](CO)Cc2c[nH]c3ccccc23)cs1)c1ccc(F)cc1 ZINC000604766606 1126100412 /nfs/dbraw/zinc/10/04/12/1126100412.db2.gz KAGKJWAKXGCFFX-SFHVURJKSA-N 0 0 438.528 4.141 20 0 IIADRN COc1ccc(C[C@](C)(CO)NCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 ZINC001176589603 1126150074 /nfs/dbraw/zinc/15/00/74/1126150074.db2.gz XQEUJTYSDMXWMX-XMMPIXPASA-N 0 0 439.581 4.228 20 0 IIADRN C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)c([O-])c(Br)c1 ZINC001462473096 1126197584 /nfs/dbraw/zinc/19/75/84/1126197584.db2.gz NADLZIMAQINOPR-QGZVFWFLSA-N 0 0 447.142 4.140 20 0 IIADRN CC(=O)N(c1nc(CN[C@@](C)(CO)Cc2ccccc2F)cs1)c1ccc(C)cc1 ZINC001473840114 1126200448 /nfs/dbraw/zinc/20/04/48/1126200448.db2.gz QUDLVLADNAKANF-HSZRJFAPSA-N 0 0 427.545 4.359 20 0 IIADRN CC(=O)N(c1nc(CN[C@H](CO)Cc2ccc(C)cc2)cs1)c1ccc(F)cc1F ZINC001560757637 1126213955 /nfs/dbraw/zinc/21/39/55/1126213955.db2.gz QREGYDUCSVWENO-SFHVURJKSA-N 0 0 431.508 4.108 20 0 IIADRN O[C@@H]([C@H](Cc1ccccc1)NCc1nc2cc(Br)ccc2o1)C(F)(F)F ZINC001620534680 1126240578 /nfs/dbraw/zinc/24/05/78/1126240578.db2.gz SLRWVKZWPKKVSL-YOEHRIQHSA-N 0 0 429.236 4.214 20 0 IIADRN O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1nc2c(s1)CCCCC2 ZINC000012827953 527030528 /nfs/dbraw/zinc/03/05/28/527030528.db2.gz RNZYQEWPYLVVAR-UHFFFAOYSA-N 0 0 446.623 4.071 20 0 IIADRN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000003364923 562934899 /nfs/dbraw/zinc/93/48/99/562934899.db2.gz AOWOZLLANLWQLP-UHFFFAOYSA-N 0 0 437.521 4.113 20 0 IIADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164409719 718867392 /nfs/dbraw/zinc/86/73/92/718867392.db2.gz SXOPKTUSKHFSTO-UHFFFAOYSA-N 0 0 438.906 4.332 20 0 IIADRN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(F)(F)c1ccnc(Cl)c1)CC2 ZINC001164428042 718952129 /nfs/dbraw/zinc/95/21/29/718952129.db2.gz HXSMDIGDRZXYRD-IBGZPJMESA-N 0 0 449.929 4.281 20 0 IIADRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(F)(F)c1ccnc(Cl)c1)CC2 ZINC001164428043 718952740 /nfs/dbraw/zinc/95/27/40/718952740.db2.gz HXSMDIGDRZXYRD-LJQANCHMSA-N 0 0 449.929 4.281 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)COc4ccnc(Cl)c4)C[C@@H]3O2)n1 ZINC001164635082 719260877 /nfs/dbraw/zinc/26/08/77/719260877.db2.gz HPYYBKGQLHCOCX-JLSDUUJJSA-N 0 0 438.906 4.472 20 0 IIADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164648512 719291945 /nfs/dbraw/zinc/29/19/45/719291945.db2.gz UQPMDKOXKHULNS-QYZOEREBSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164656737 719295448 /nfs/dbraw/zinc/29/54/48/719295448.db2.gz YNWWTDWIVNVBKU-CPUCHLNUSA-N 0 0 446.281 4.161 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)C[C@H]2CCCO[C@@H]21 ZINC001164650504 719304189 /nfs/dbraw/zinc/30/41/89/719304189.db2.gz IIEDXUJDSSMDTA-DJKXOVBDSA-N 0 0 435.902 4.039 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1nc3ccccc3nc1N1CCCC[C@@H]1C)CC2 ZINC001164652935 719315192 /nfs/dbraw/zinc/31/51/92/719315192.db2.gz URYLSPVYAXOWIP-IBGZPJMESA-N 0 0 447.631 4.410 20 0 IIADRN COc1cc2c(cc1F)cc(Cl)nc2N1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001164654094 719318276 /nfs/dbraw/zinc/31/82/76/719318276.db2.gz OLSZKXLADQIZQL-UHFFFAOYSA-N 0 0 431.943 4.438 20 0 IIADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)C[C@@H]2CCCO[C@@H]12 ZINC001164654027 719326334 /nfs/dbraw/zinc/32/63/34/719326334.db2.gz JJMDKTKAAMDABQ-LDQXTDLNSA-N 0 0 449.929 4.333 20 0 IIADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCO[C@H]2[C@H]1CC[C@@H]2OCC1CCCC1 ZINC001164662602 719344156 /nfs/dbraw/zinc/34/41/56/719344156.db2.gz QDBXBJCDLGYWPK-QYZOEREBSA-N 0 0 427.923 4.495 20 0 IIADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1ccc(C)c(Cl)n1)CC2 ZINC001164665847 719359503 /nfs/dbraw/zinc/35/95/03/719359503.db2.gz ZEXFRFFBOFBZFL-UHFFFAOYSA-N 0 0 428.936 4.132 20 0 IIADRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001164664830 719362104 /nfs/dbraw/zinc/36/21/04/719362104.db2.gz SPRGPIRDBPXONS-CQSZACIVSA-N 0 0 449.889 4.188 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2cccnc2Cl)CC3)cc1 ZINC001164670807 719492413 /nfs/dbraw/zinc/49/24/13/719492413.db2.gz YZIDKYFHFNZVSU-UHFFFAOYSA-N 0 0 425.882 4.290 20 0 IIADRN COC(=O)c1ccc2nc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)ccc2c1 ZINC001164673880 719504060 /nfs/dbraw/zinc/50/40/60/719504060.db2.gz SYFZOLNMIYUPDD-UHFFFAOYSA-N 0 0 449.526 4.032 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2cnc(Cl)c(F)c2)CC3)cc1 ZINC001164672211 719505625 /nfs/dbraw/zinc/50/56/25/719505625.db2.gz GXHCGSNSJIJIAY-UHFFFAOYSA-N 0 0 443.872 4.430 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2ccc4nccc(Cl)c4n2)CC3)cc1 ZINC001164672779 719519154 /nfs/dbraw/zinc/51/91/54/719519154.db2.gz NUYNSWBUAKSHHN-UHFFFAOYSA-N 0 0 426.923 4.294 20 0 IIADRN Cc1csc2nc(C)nc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)c12 ZINC001164678509 719525883 /nfs/dbraw/zinc/52/58/83/719525883.db2.gz LOQGHWOJFHKDIV-UHFFFAOYSA-N 0 0 426.561 4.319 20 0 IIADRN O=C([C@@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)CC12CCOCC2)N1CC=CC1 ZINC001164676693 719559116 /nfs/dbraw/zinc/55/91/16/719559116.db2.gz FCKSCADYWQCFAO-SFHVURJKSA-N 0 0 447.913 4.065 20 0 IIADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)Oc2cccnc2Cl)CC3)cs1 ZINC001164688526 719593857 /nfs/dbraw/zinc/59/38/57/719593857.db2.gz XGVXUADTXINXAO-UHFFFAOYSA-N 0 0 442.919 4.086 20 0 IIADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cc3ccccc3nc2Cl)N1Cc1cccnc1 ZINC001164690724 719770207 /nfs/dbraw/zinc/77/02/07/719770207.db2.gz HMNOSRUZIGUTSP-RBUKOAKNSA-N 0 0 428.870 4.208 20 0 IIADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cc3ccccc3nc2Cl)N1Cc1cccnc1 ZINC001164690723 719770220 /nfs/dbraw/zinc/77/02/20/719770220.db2.gz HMNOSRUZIGUTSP-OALUTQOASA-N 0 0 428.870 4.208 20 0 IIADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2ccc4cnc(Cl)nc4c2)CC3)cn1 ZINC001164695825 719825773 /nfs/dbraw/zinc/82/57/73/719825773.db2.gz GAHJAPBOXBLADU-HNNXBMFYSA-N 0 0 433.890 4.105 20 0 IIADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)Oc2ccc(Cl)nc2Cl)CC3)cn1 ZINC001164699574 719827172 /nfs/dbraw/zinc/82/71/72/719827172.db2.gz XKVDSBXZKPUPHW-LBPRGKRZSA-N 0 0 433.286 4.090 20 0 IIADRN COC[C@H]1CN(C(F)(F)Oc2ccc(-c3ccnc(Cl)c3)cc2)Cc2cn(C)nc21 ZINC001164696421 719831871 /nfs/dbraw/zinc/83/18/71/719831871.db2.gz TUXQQFXRRBNQDX-QGZVFWFLSA-N 0 0 434.874 4.310 20 0 IIADRN O=C1COC2(CCN(C(F)(F)c3ccnc(Cl)c3Cl)CC2)CN1c1ccccc1 ZINC001164695478 719836041 /nfs/dbraw/zinc/83/60/41/719836041.db2.gz NLZJHWXRPLWBCF-UHFFFAOYSA-N 0 0 442.293 4.336 20 0 IIADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1cc(-c2ccccc2)c2ccccc2n1 ZINC001164707212 719867025 /nfs/dbraw/zinc/86/70/25/719867025.db2.gz RIIJGUPIYDVBQU-ZBLYBZFDSA-N 0 0 445.563 4.135 20 0 IIADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164806163 720050985 /nfs/dbraw/zinc/05/09/85/720050985.db2.gz RRBZEXZBOHMWPN-NQIIRXRSSA-N 0 0 448.901 4.084 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3ccc(OC)cc3)nnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164710745 720066663 /nfs/dbraw/zinc/06/66/63/720066663.db2.gz GJOQTWNAYMCTLS-OTWHNJEPSA-N 0 0 439.890 4.123 20 0 IIADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc12 ZINC001164730519 720354567 /nfs/dbraw/zinc/35/45/67/720354567.db2.gz ZZXQSGRTTCLFTA-IAGOWNOFSA-N 0 0 433.865 4.215 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(F)c3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164823554 720389371 /nfs/dbraw/zinc/38/93/71/720389371.db2.gz OFWAYTNGOWOBHV-BZUAXINKSA-N 0 0 433.883 4.137 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(C)c(C)c(Cl)n3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164822346 720390643 /nfs/dbraw/zinc/39/06/43/720390643.db2.gz LHHMSFOSFANTGO-BZUAXINKSA-N 0 0 444.935 4.010 20 0 IIADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C[C@H]21 ZINC001164824348 720418732 /nfs/dbraw/zinc/41/87/32/720418732.db2.gz KUKDXXJBWNTIGX-MDZRGWNJSA-N 0 0 437.918 4.047 20 0 IIADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C[C@@H]21 ZINC001164827663 720423079 /nfs/dbraw/zinc/42/30/79/720423079.db2.gz VABWUPKVOPSAPY-JTDSTZFVSA-N 0 0 437.918 4.047 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)CC[C@H]21)N1CCCCC1 ZINC001164830366 720496914 /nfs/dbraw/zinc/49/69/14/720496914.db2.gz ARKVLOHMHWATMF-UNEWFSDZSA-N 0 0 448.341 4.177 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)CC[C@@H]21)N1CCCCC1 ZINC001164835499 720497058 /nfs/dbraw/zinc/49/70/58/720497058.db2.gz YSYNZTNTVMHINN-ZQIUZPCESA-N 0 0 448.341 4.177 20 0 IIADRN O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164732213 720504372 /nfs/dbraw/zinc/50/43/72/720504372.db2.gz SLVHXGQBDHBFJQ-RXVVDRJESA-N 0 0 448.901 4.176 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164736402 720538340 /nfs/dbraw/zinc/53/83/40/720538340.db2.gz XOZDYEJWVPXFNT-LIRRHRJNSA-N 0 0 427.854 4.269 20 0 IIADRN Fc1cc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)cnc1Cl ZINC001164734670 720538606 /nfs/dbraw/zinc/53/86/06/720538606.db2.gz KDRLOOSHZVDHEI-IFXJQAMLSA-N 0 0 427.854 4.269 20 0 IIADRN Cc1nc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COc3ccccn3)C2)nc(Cl)c1C ZINC001164734693 720539616 /nfs/dbraw/zinc/53/96/16/720539616.db2.gz KNKUUPLOSRPSIT-OXQOHEQNSA-N 0 0 438.906 4.141 20 0 IIADRN O=C1CCCC2(CCN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)CC2)N1 ZINC001164837490 720733486 /nfs/dbraw/zinc/73/34/86/720733486.db2.gz LZTCQTSSRJFXKF-UHFFFAOYSA-N 0 0 435.902 4.498 20 0 IIADRN CC[C@H]1N(C(F)(F)c2cc(-c3cccs3)nnc2Cl)CCC[C@]12CCC(=O)N2 ZINC001164845142 720756090 /nfs/dbraw/zinc/75/60/90/720756090.db2.gz FDAIEWJMWSJYHP-QAPCUYQASA-N 0 0 426.920 4.431 20 0 IIADRN CCOC(=O)c1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3c2ccccc2)c(Cl)n1 ZINC001164850448 720766633 /nfs/dbraw/zinc/76/66/33/720766633.db2.gz WSSCOLGYRDASPH-ROUUACIJSA-N 0 0 449.885 4.231 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164848293 720770230 /nfs/dbraw/zinc/77/02/30/720770230.db2.gz PJNYXSLIRLBNPU-XIRDDKMYSA-N 0 0 427.854 4.157 20 0 IIADRN Fc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164847460 720773275 /nfs/dbraw/zinc/77/32/75/720773275.db2.gz MLWWJFRZJZXXEB-QGTPRVQTSA-N 0 0 427.854 4.157 20 0 IIADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4nc(Cl)ncc4Cl)C3)C2=O)c1 ZINC001164853649 720807068 /nfs/dbraw/zinc/80/70/68/720807068.db2.gz RHYIUTLQKLEARD-LJQANCHMSA-N 0 0 441.309 4.266 20 0 IIADRN Cc1cccc(CN2CC[C@]3(CCN(c4nc(Cl)ccc4CN4CCCC4)C3)C2=O)c1 ZINC001164856262 720807488 /nfs/dbraw/zinc/80/74/88/720807488.db2.gz ZUKFIIIASVDJOT-RUZDIDTESA-N 0 0 439.003 4.268 20 0 IIADRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@H]2CN1Cc1ccncc1 ZINC001164854120 720814960 /nfs/dbraw/zinc/81/49/60/720814960.db2.gz SLKQUFSRTYWFJY-QAPCUYQASA-N 0 0 444.869 4.030 20 0 IIADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cnc(Cl)cc3Cl)C2)CC1 ZINC001164857675 720893970 /nfs/dbraw/zinc/89/39/70/720893970.db2.gz IZBCOQHBLHWPQN-UHFFFAOYSA-N 0 0 441.309 4.461 20 0 IIADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@@H]21 ZINC001164759259 721005236 /nfs/dbraw/zinc/00/52/36/721005236.db2.gz ZGYXPEMBVUOQMN-AABGKKOBSA-N 0 0 431.870 4.249 20 0 IIADRN FC(F)(c1cccc2c(Cl)nccc21)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@@H]21 ZINC001164760933 721007556 /nfs/dbraw/zinc/00/75/56/721007556.db2.gz RBYKBYSUIFPRQD-IHPCNDPISA-N 0 0 431.870 4.249 20 0 IIADRN COc1cc(C(F)(F)N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)cc(Cl)n1 ZINC001164756985 721026469 /nfs/dbraw/zinc/02/64/69/721026469.db2.gz CCHJMKFFNUPSNP-XLIONFOSSA-N 0 0 439.890 4.028 20 0 IIADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164756980 721026960 /nfs/dbraw/zinc/02/69/60/721026960.db2.gz CANHVJDWCUEHEC-KDOFPFPSSA-N 0 0 445.297 4.068 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(Cl)c2)n1 ZINC001164774788 721049934 /nfs/dbraw/zinc/04/99/34/721049934.db2.gz YDYKPIQSVTZVJX-CVEARBPZSA-N 0 0 427.282 4.017 20 0 IIADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164870204 721221939 /nfs/dbraw/zinc/22/19/39/721221939.db2.gz GINZESBBDNZMMC-UHFFFAOYSA-N 0 0 445.297 4.084 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164872025 721222729 /nfs/dbraw/zinc/22/27/29/721222729.db2.gz MMUWMZIBKACLFN-UHFFFAOYSA-N 0 0 445.297 4.084 20 0 IIADRN O=C(N1CCCC1)C12CC(C1)CN2C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164872980 721236747 /nfs/dbraw/zinc/23/67/47/721236747.db2.gz NPDRCMUZMQUPHQ-UHFFFAOYSA-N 0 0 427.282 4.073 20 0 IIADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164876047 721249102 /nfs/dbraw/zinc/24/91/02/721249102.db2.gz NFLFBJNBZYOCRV-RLLQIKCJSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164876046 721249708 /nfs/dbraw/zinc/24/97/08/721249708.db2.gz NFLFBJNBZYOCRV-IHPCNDPISA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21)C1(c2ccnc(Cl)c2)CC1 ZINC001164877447 721252717 /nfs/dbraw/zinc/25/27/17/721252717.db2.gz RKOOWZDYAFKFJU-QRVBRYPASA-N 0 0 435.902 4.455 20 0 IIADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3ccnc(Cl)c3)C2)O1)c1ccccc1 ZINC001164880134 721253997 /nfs/dbraw/zinc/25/39/97/721253997.db2.gz ZXEDKOIZHWKRMU-RXVVDRJESA-N 0 0 435.902 4.228 20 0 IIADRN FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1C[C@H]2OCCN(c3cnccn3)[C@H]2C1 ZINC001164767019 721267782 /nfs/dbraw/zinc/26/77/82/721267782.db2.gz PXXDBCAYLDNRSP-RBUKOAKNSA-N 0 0 449.933 4.212 20 0 IIADRN Cc1cc(C(F)(F)N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@H]3C2)cc(Cl)n1 ZINC001164879156 721294328 /nfs/dbraw/zinc/29/43/28/721294328.db2.gz VTZOQKMYNSXLAF-PBHICJAKSA-N 0 0 441.931 4.017 20 0 IIADRN C[Si](C)(C)c1ccc(C(F)(F)N2CCC3(CCC(=O)N3CC3CC3)CC2)nc1Cl ZINC001164775072 721307015 /nfs/dbraw/zinc/30/70/15/721307015.db2.gz OABZOZWYZCMSKX-UHFFFAOYSA-N 0 0 442.026 4.197 20 0 IIADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164881412 721310926 /nfs/dbraw/zinc/31/09/26/721310926.db2.gz VYMTYUSLOVHQHO-APHBMKBZSA-N 0 0 430.282 4.391 20 0 IIADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164880583 721312335 /nfs/dbraw/zinc/31/23/35/721312335.db2.gz RVOYSEHMVIVKAM-ZOCIIQOWSA-N 0 0 446.885 4.286 20 0 IIADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164880257 721313453 /nfs/dbraw/zinc/31/34/53/721313453.db2.gz QCCHOXCJQBLHOW-VNQPRFMTSA-N 0 0 434.874 4.219 20 0 IIADRN CCN1CC[C@@]2(CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)C[C@@H]2C)C1=O ZINC001164779578 721318507 /nfs/dbraw/zinc/31/85/07/721318507.db2.gz ZDRDSPAFQSBVDR-VOJFVSQTSA-N 0 0 429.298 4.176 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164876492 721319121 /nfs/dbraw/zinc/31/91/21/721319121.db2.gz IGMZAPBYQJABLX-SFHVURJKSA-N 0 0 431.914 4.355 20 0 IIADRN CCN1CC[C@@]2(CN(c3nc(CN(C)C)nc4scc(-c5ccccc5)c43)C[C@H]2C)C1=O ZINC001164779016 721321832 /nfs/dbraw/zinc/32/18/32/721321832.db2.gz TVXXNQZTPJUTJA-NSYGIPOTSA-N 0 0 449.624 4.115 20 0 IIADRN Cc1ccc(C(F)(F)N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)nc1Cl ZINC001164776976 721326378 /nfs/dbraw/zinc/32/63/78/721326378.db2.gz JAQOZMGKFTWQSW-CQSZACIVSA-N 0 0 427.854 4.329 20 0 IIADRN Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC(N(C)C)=NO4)CC3)c(Cl)nn2)c1 ZINC001164874837 721327679 /nfs/dbraw/zinc/32/76/79/721327679.db2.gz JTVPIHAKQZVZCE-UHFFFAOYSA-N 0 0 435.906 4.285 20 0 IIADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3ccc(Cl)nc3)C2)cs1 ZINC001164874093 721330282 /nfs/dbraw/zinc/33/02/82/721330282.db2.gz GHNOELGXBCKOAD-CQSZACIVSA-N 0 0 439.919 4.095 20 0 IIADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3ccc(Cl)nc3)C2)cs1 ZINC001164874090 721330363 /nfs/dbraw/zinc/33/03/63/721330363.db2.gz GHNOELGXBCKOAD-AWEZNQCLSA-N 0 0 439.919 4.095 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc4c(Cl)ccnc4cn3)C2)C1 ZINC001164787746 721356674 /nfs/dbraw/zinc/35/66/74/721356674.db2.gz ZQBJFQDADJIOJF-QHCPKHFHSA-N 0 0 441.963 4.007 20 0 IIADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)N1c1ccsc1 ZINC001164882399 721357710 /nfs/dbraw/zinc/35/77/10/721357710.db2.gz IUIOHCOUWNZFSX-HUUCEWRRSA-N 0 0 447.898 4.183 20 0 IIADRN COc1ccc(-c2csc3ncnc(N4C[C@H]5CN(Cc6nccs6)C[C@H]5C4)c23)cc1 ZINC001164788214 721424843 /nfs/dbraw/zinc/42/48/43/721424843.db2.gz SKACVVCWWVXIHJ-CALCHBBNSA-N 0 0 449.605 4.392 20 0 IIADRN Fc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)cc1 ZINC001164789684 721428108 /nfs/dbraw/zinc/42/81/08/721428108.db2.gz WCTQTRDVTLVJRJ-KBPBESRZSA-N 0 0 431.924 4.086 20 0 IIADRN Fc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164784864 721436292 /nfs/dbraw/zinc/43/62/92/721436292.db2.gz MTHWTLRLCXBPHL-OKILXGFUSA-N 0 0 431.924 4.086 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC[C@@H]21 ZINC001164894161 721467171 /nfs/dbraw/zinc/46/71/71/721467171.db2.gz VUZNPMMRBMVIIN-YPMHNXCESA-N 0 0 425.829 4.382 20 0 IIADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc(C2CC2)nnc1Cl ZINC001164895463 721475819 /nfs/dbraw/zinc/47/58/19/721475819.db2.gz RLQXTSSWMQUOLV-OAQYLSRUSA-N 0 0 447.917 4.109 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)c1 ZINC001164897427 721490238 /nfs/dbraw/zinc/49/02/38/721490238.db2.gz CYEXYIIRNZGIFT-CYBMUJFWSA-N 0 0 445.963 4.046 20 0 IIADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001164897763 721500228 /nfs/dbraw/zinc/50/02/28/721500228.db2.gz NWRMSBJTAWINJI-AWEZNQCLSA-N 0 0 436.330 4.081 20 0 IIADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164899265 721500374 /nfs/dbraw/zinc/50/03/74/721500374.db2.gz XZWFSVLRWKMMJW-HNNXBMFYSA-N 0 0 436.330 4.081 20 0 IIADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164898697 721501173 /nfs/dbraw/zinc/50/11/73/721501173.db2.gz UEDZUEZCLUAAGM-HNNXBMFYSA-N 0 0 436.330 4.081 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1C[C@@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164795536 721505885 /nfs/dbraw/zinc/50/58/85/721505885.db2.gz KZUMSWZWAJMFLU-XOBRGWDASA-N 0 0 431.874 4.304 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)cccc32)[C@@H]2CCCO[C@@H]12 ZINC001164802502 721549503 /nfs/dbraw/zinc/54/95/03/721549503.db2.gz GNCRFAKJEKAJAS-QWFCFKBJSA-N 0 0 444.366 4.200 20 0 IIADRN Cc1cc2nc(Cl)c(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc2cc1C ZINC001164804658 721565049 /nfs/dbraw/zinc/56/50/49/721565049.db2.gz LHVPAGSBVZLPFK-FKBYEOEOSA-N 0 0 437.975 4.163 20 0 IIADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(C[C@@H]3C(=O)N(C)C)CC2)n1 ZINC001164902299 721570727 /nfs/dbraw/zinc/57/07/27/721570727.db2.gz JMOWNKMAESRYLH-LJQANCHMSA-N 0 0 449.624 4.115 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc(Cl)c3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164804355 721578339 /nfs/dbraw/zinc/57/83/39/721578339.db2.gz JQMPXDXCPQBPPQ-CQOQZXRMSA-N 0 0 435.959 4.060 20 0 IIADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001164902856 721579706 /nfs/dbraw/zinc/57/97/06/721579706.db2.gz JOWUWWVSDGETMV-NRFANRHFSA-N 0 0 445.901 4.099 20 0 IIADRN Cc1ccc(C)c(-c2ccc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)c1 ZINC001164807655 721581675 /nfs/dbraw/zinc/58/16/75/721581675.db2.gz PDOYQTDXIQJVCB-GNKBHMEESA-N 0 0 429.568 4.024 20 0 IIADRN FC(F)(c1cccc2ccnc(Cl)c21)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164806540 721607782 /nfs/dbraw/zinc/60/77/82/721607782.db2.gz TWOCKMVPZCNBEO-UWJYYQICSA-N 0 0 448.901 4.084 20 0 IIADRN Cc1nc(-c2ccccc2Cl)nc(N2CCCn3c(CN(C)C(C)C)nnc3C2)c1C ZINC001165010534 721716209 /nfs/dbraw/zinc/71/62/09/721716209.db2.gz IMIXXTGOEGRBGD-UHFFFAOYSA-N 0 0 439.995 4.256 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1CSCC3)C2 ZINC001164909409 721747714 /nfs/dbraw/zinc/74/77/14/721747714.db2.gz RNQQWZMXBPYICR-UHFFFAOYSA-N 0 0 441.988 4.102 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc(-c3ccccc3)n1)C2 ZINC001164908903 721750848 /nfs/dbraw/zinc/75/08/48/721750848.db2.gz ODKGQABEXZNBTC-UHFFFAOYSA-N 0 0 446.942 4.375 20 0 IIADRN COc1cccc2c1nc(Cl)nc2N1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC001164908959 721754159 /nfs/dbraw/zinc/75/41/59/721754159.db2.gz ADLSADLMAXXFJE-UHFFFAOYSA-N 0 0 449.942 4.475 20 0 IIADRN CCOC(=O)c1cnc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c(Cl)c1 ZINC001164909055 721755843 /nfs/dbraw/zinc/75/58/43/721755843.db2.gz FESDHLNDLAJODN-UHFFFAOYSA-N 0 0 440.931 4.094 20 0 IIADRN COc1cccc(-c2ccc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)nn2)c1 ZINC001164909554 721760548 /nfs/dbraw/zinc/76/05/48/721760548.db2.gz BZJBAEYRUXAOLQ-UHFFFAOYSA-N 0 0 441.535 4.335 20 0 IIADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1C[C@H](OCC2CC2)[C@@H]2COC[C@@H]21 ZINC001165013780 721761529 /nfs/dbraw/zinc/76/15/29/721761529.db2.gz ABOMLIPPUJSDAF-KBMXLJTQSA-N 0 0 430.282 4.112 20 0 IIADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1C[C@H](OCC2CC2)[C@H]2COC[C@@H]21 ZINC001165014724 721762518 /nfs/dbraw/zinc/76/25/18/721762518.db2.gz HWXHRWZRYLHNNY-BPUTZDHNSA-N 0 0 430.282 4.112 20 0 IIADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@@H]4COC[C@H]43)c(Cl)nn2)c1 ZINC001165015551 721764981 /nfs/dbraw/zinc/76/49/81/721764981.db2.gz QYPVKDUWAMHDIM-LZQZEXGQSA-N 0 0 439.865 4.111 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cncc(OCC3CCCC3)n1)C2 ZINC001164911154 721765596 /nfs/dbraw/zinc/76/55/96/721765596.db2.gz NIBVIBUDJAAFDY-UHFFFAOYSA-N 0 0 433.556 4.228 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1ccc2ncc(Cl)nc2c1 ZINC001165016160 721769089 /nfs/dbraw/zinc/76/90/89/721769089.db2.gz OCGCKUYSTORIMD-GUYCJALGSA-N 0 0 432.858 4.162 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cccc4c(Cl)ncnc43)[C@H]2C1 ZINC001165018992 721772014 /nfs/dbraw/zinc/77/20/14/721772014.db2.gz VIWSRYUNIBWJMZ-CJNGLKHVSA-N 0 0 432.858 4.162 20 0 IIADRN O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001165018527 721784210 /nfs/dbraw/zinc/78/42/10/721784210.db2.gz IQFYPFAMDHOSBC-OAQYLSRUSA-N 0 0 443.885 4.247 20 0 IIADRN O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001165024934 721784449 /nfs/dbraw/zinc/78/44/49/721784449.db2.gz ZFRGTYNLHKNXFW-NRFANRHFSA-N 0 0 443.885 4.247 20 0 IIADRN O=C1[C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@H]2CN1c1cccnc1 ZINC001165024174 721790045 /nfs/dbraw/zinc/79/00/45/721790045.db2.gz QVSDZROMSZWXMF-FXAWDEMLSA-N 0 0 440.881 4.441 20 0 IIADRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@@H]2CN1c1cccnc1 ZINC001165026148 721793757 /nfs/dbraw/zinc/79/37/57/721793757.db2.gz YIPYKDHQIWALAO-DYVFJYSZSA-N 0 0 430.842 4.034 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001164915099 721802753 /nfs/dbraw/zinc/80/27/53/721802753.db2.gz HZKFYIIDHNXVRL-KRWDZBQOSA-N 0 0 429.849 4.120 20 0 IIADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164915795 721804959 /nfs/dbraw/zinc/80/49/59/721804959.db2.gz LBQJZPWBFVVSTH-QRWLVFNGSA-N 0 0 432.858 4.040 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC001164917341 721813763 /nfs/dbraw/zinc/81/37/63/721813763.db2.gz LNDIDTIDXGREFG-UHFFFAOYSA-N 0 0 430.581 4.304 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC[C@@H]12)NC1CCC1 ZINC001164929881 721898007 /nfs/dbraw/zinc/89/80/07/721898007.db2.gz ALVZBQXRFRPBGV-YJLNNSPDSA-N 0 0 439.934 4.057 20 0 IIADRN FC(F)(c1cccc(Cl)n1)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164931215 721898076 /nfs/dbraw/zinc/89/80/76/721898076.db2.gz DPNIEBDJYNWQGW-OAQYLSRUSA-N 0 0 428.870 4.415 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1cc(Cl)nc3c1CCC3)C2 ZINC001164939498 721911135 /nfs/dbraw/zinc/91/11/35/721911135.db2.gz SONOMXLWQPTBKJ-CJNGLKHVSA-N 0 0 435.877 4.259 20 0 IIADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(Cl)n3)C[C@@H]12 ZINC001164946313 721965242 /nfs/dbraw/zinc/96/52/42/721965242.db2.gz MZMJRKNTRHSNQR-APWZRJJASA-N 0 0 441.309 4.097 20 0 IIADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3nc(C)c(C)c(Cl)n3)C[C@H]12 ZINC001164949472 721966638 /nfs/dbraw/zinc/96/66/38/721966638.db2.gz YCEQTOSTQUTETO-GHTZIAJQSA-N 0 0 434.918 4.061 20 0 IIADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C[C@H]12 ZINC001164942539 721967359 /nfs/dbraw/zinc/96/73/59/721967359.db2.gz CUERRCDWRAWTNF-UNMCSNQZSA-N 0 0 446.929 4.321 20 0 IIADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N(C)Cc2cc(C)nn2C)cc1 ZINC001165051683 721990277 /nfs/dbraw/zinc/99/02/77/721990277.db2.gz UQTQYKBDANSHRS-UHFFFAOYSA-N 0 0 434.874 4.412 20 0 IIADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1nc(C)cc(Cl)n1)C2 ZINC001164954559 722005877 /nfs/dbraw/zinc/00/58/77/722005877.db2.gz YKCLMUZKNTWMLY-UHFFFAOYSA-N 0 0 430.890 4.109 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cnc(Cl)cc1Cl ZINC001164963426 722028278 /nfs/dbraw/zinc/02/82/78/722028278.db2.gz SYIACLNPWVIMJQ-IIAWOOMASA-N 0 0 434.245 4.283 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1ccc(Cl)c(Cl)n1 ZINC001164959837 722028779 /nfs/dbraw/zinc/02/87/79/722028779.db2.gz SLOQDBOZVGHXEN-GZBFAFLISA-N 0 0 434.245 4.283 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001164958358 722029962 /nfs/dbraw/zinc/02/99/62/722029962.db2.gz OOVLGANRBJGVLW-NUJGCVRESA-N 0 0 439.865 4.204 20 0 IIADRN O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001164956303 722033617 /nfs/dbraw/zinc/03/36/17/722033617.db2.gz DMEGRSODJVCXFX-DENIHFKCSA-N 0 0 442.897 4.361 20 0 IIADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C[C@H]3O2)n1 ZINC001164959131 722043305 /nfs/dbraw/zinc/04/33/05/722043305.db2.gz HHHHLLVOKYVBHR-SUNYJGFJSA-N 0 0 438.906 4.077 20 0 IIADRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4nc(Cl)cc(Cl)n4)C3)CC2=O)s1 ZINC001164964862 722043489 /nfs/dbraw/zinc/04/34/89/722043489.db2.gz VOVGRVODFSEWPT-MRXNPFEDSA-N 0 0 433.311 4.332 20 0 IIADRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4ccc5ncnc(Cl)c5n4)C3)CC2=O)s1 ZINC001164962594 722044224 /nfs/dbraw/zinc/04/42/24/722044224.db2.gz POEHCUGWGPDWDL-LJQANCHMSA-N 0 0 449.914 4.226 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C[C@H]21 ZINC001164959798 722048785 /nfs/dbraw/zinc/04/87/85/722048785.db2.gz SHFSHEWDZXNOHG-ZYHUDNBSSA-N 0 0 435.780 4.243 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)Oc2cccc(Cl)n2)[C@H]3C)c1 ZINC001164963024 722063037 /nfs/dbraw/zinc/06/30/37/722063037.db2.gz ASSGIMDGPVQWID-HNNXBMFYSA-N 0 0 449.889 4.358 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cnc(Cl)c(N)c2)[C@H]3C)c1 ZINC001164966430 722063320 /nfs/dbraw/zinc/06/33/20/722063320.db2.gz SPOUPSOVJMIGSV-AWEZNQCLSA-N 0 0 448.905 4.060 20 0 IIADRN O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cccc2c(Cl)nccc21 ZINC001164966081 722064902 /nfs/dbraw/zinc/06/49/02/722064902.db2.gz OBPBJRKVKJRCQJ-IRXDYDNUSA-N 0 0 434.899 4.383 20 0 IIADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001164968280 722078043 /nfs/dbraw/zinc/07/80/43/722078043.db2.gz ZKVTYVVDKICWJC-UHFFFAOYSA-N 0 0 426.294 4.392 20 0 IIADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)CC2 ZINC001164968251 722078385 /nfs/dbraw/zinc/07/83/85/722078385.db2.gz XPHVBCZZNKDZGR-UHFFFAOYSA-N 0 0 448.926 4.349 20 0 IIADRN CC(=O)N1CCC[C@@]2(C1)CN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)CCO2 ZINC001164969237 722083483 /nfs/dbraw/zinc/08/34/83/722083483.db2.gz LCKXIRKZZNEZKA-OAQYLSRUSA-N 0 0 435.902 4.165 20 0 IIADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C[C@@H]2C1 ZINC001164975737 722084704 /nfs/dbraw/zinc/08/47/04/722084704.db2.gz UMDPUPZCDRPBLO-STQMWFEESA-N 0 0 438.881 4.098 20 0 IIADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001164972304 722091827 /nfs/dbraw/zinc/09/18/27/722091827.db2.gz FQWRDPGLIPTVPX-HNNXBMFYSA-N 0 0 438.950 4.077 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)C[C@H]21 ZINC001164986058 722097996 /nfs/dbraw/zinc/09/79/96/722097996.db2.gz XVGIJSVWKDWYRQ-FRQCXROJSA-N 0 0 447.917 4.098 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5cccc(F)c54)CC[C@@H]32)cs1 ZINC001164988429 722179619 /nfs/dbraw/zinc/17/96/19/722179619.db2.gz QYRDRFFGCHTHOA-ZWKOTPCHSA-N 0 0 447.967 4.057 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nnc(Cl)c5cccc(C)c54)CC[C@H]32)cs1 ZINC001164993862 722181166 /nfs/dbraw/zinc/18/11/66/722181166.db2.gz XICPAMLTXBTVQH-MOPGFXCFSA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5cc(C)ccc54)CC[C@@H]32)cs1 ZINC001164988628 722182019 /nfs/dbraw/zinc/18/20/19/722182019.db2.gz LALWHDVAWWBQHJ-PMACEKPBSA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5cccc(C)c54)CC[C@H]32)cs1 ZINC001164985296 722184287 /nfs/dbraw/zinc/18/42/87/722184287.db2.gz BDNZOCAQMWKBSH-MOPGFXCFSA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5cccc(C)c54)CC[C@H]32)cs1 ZINC001164985304 722184320 /nfs/dbraw/zinc/18/43/20/722184320.db2.gz BDNZOCAQMWKBSH-RTBURBONSA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4c(Cl)ncc(Cl)c4C)CC[C@@H]32)cs1 ZINC001164985645 722184599 /nfs/dbraw/zinc/18/45/99/722184599.db2.gz BNFYGATUICMQAD-DLBZAZTESA-N 0 0 427.401 4.332 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(C5CCCCC5)nc(C)n4)CC[C@H]32)cs1 ZINC001164987642 722184748 /nfs/dbraw/zinc/18/47/48/722184748.db2.gz LCZQREPXCZGAGM-PKTZIBPZSA-N 0 0 441.645 4.467 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(-c5ccc(C)cc5)nn4)CC[C@@H]32)cs1 ZINC001164988647 722184903 /nfs/dbraw/zinc/18/49/03/722184903.db2.gz NHRBUZQALLIXIP-XZOQPEGZSA-N 0 0 435.597 4.087 20 0 IIADRN CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1 ZINC001164989527 722186803 /nfs/dbraw/zinc/18/68/03/722186803.db2.gz OUWCZMYMVTXLBF-YSSFQJQWSA-N 0 0 440.617 4.106 20 0 IIADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164993418 722187446 /nfs/dbraw/zinc/18/74/46/722187446.db2.gz ZJNDDCNDSMTEJS-AWEZNQCLSA-N 0 0 436.330 4.035 20 0 IIADRN COc1nc(Cl)ncc1C(F)(F)N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164996669 722206466 /nfs/dbraw/zinc/20/64/66/722206466.db2.gz VBRKTPWSGKLOSG-IBGZPJMESA-N 0 0 426.870 4.068 20 0 IIADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)[C@H]2C1 ZINC001164996991 722215818 /nfs/dbraw/zinc/21/58/18/722215818.db2.gz PPGDEPMTCUHINJ-TVYUQYBPSA-N 0 0 442.721 4.095 20 0 IIADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)c1cnnc(Cl)c1)CC2 ZINC001165000321 722221296 /nfs/dbraw/zinc/22/12/96/722221296.db2.gz WKIZBOHSRDZZMT-LJQANCHMSA-N 0 0 432.902 4.255 20 0 IIADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cncc(Cl)n1)CC2 ZINC001164999939 722221571 /nfs/dbraw/zinc/22/15/71/722221571.db2.gz UKLDRMVMRSDAQB-IBGZPJMESA-N 0 0 432.902 4.255 20 0 IIADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2ccc(Cl)nc2Cl)n1 ZINC001164999078 722226001 /nfs/dbraw/zinc/22/60/01/722226001.db2.gz IAWNCVQGCLNFAV-CYBMUJFWSA-N 0 0 432.302 4.147 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2ccc(SC)c(Cl)n2)n1 ZINC001164998381 722226888 /nfs/dbraw/zinc/22/68/88/722226888.db2.gz BFJQBBJREZQOKW-ZDUSSCGKSA-N 0 0 443.951 4.216 20 0 IIADRN CC(C)CN1c2ccccc2[C@@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)CC[C@@H]21 ZINC001165004039 722245510 /nfs/dbraw/zinc/24/55/10/722245510.db2.gz MNCBABUOFNAUPF-HOCLYGCPSA-N 0 0 432.906 4.341 20 0 IIADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)Sc1ccc(Cl)nc1)CC2 ZINC001165001449 722248171 /nfs/dbraw/zinc/24/81/71/722248171.db2.gz RCVCFHRULHOQGL-UHFFFAOYSA-N 0 0 437.859 4.071 20 0 IIADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)Oc2ccc(Cl)nc2)CC3)cs1 ZINC001165006595 722272576 /nfs/dbraw/zinc/27/25/76/722272576.db2.gz ORCLWRWYJFXDFV-MRXNPFEDSA-N 0 0 445.919 4.269 20 0 IIADRN C[C@@H]1CN(C(F)(F)c2cccnc2Cl)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008941 722273176 /nfs/dbraw/zinc/27/31/76/722273176.db2.gz MDKSRMYOWZCSLF-LIVBEALHSA-N 0 0 436.890 4.078 20 0 IIADRN C[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC001123268182 939818035 /nfs/dbraw/zinc/81/80/35/939818035.db2.gz PVOBXBSPRVEXRN-GAJHUEQPSA-N 0 0 448.485 4.435 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000426718025 1126081762 /nfs/dbraw/zinc/08/17/62/1126081762.db2.gz UQJNRKZUVKQRPD-MRXNPFEDSA-N 0 0 439.256 4.317 20 0 IIADRN Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000426721138 1126082176 /nfs/dbraw/zinc/08/21/76/1126082176.db2.gz RFUCIXDDCAFMDP-LJQANCHMSA-N 0 0 448.748 4.382 20 0 IIADRN Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000426741697 1126085593 /nfs/dbraw/zinc/08/55/93/1126085593.db2.gz MFUOAJIDIVBUQP-IBGZPJMESA-N 0 0 448.748 4.382 20 0 IIADRN CCOc1cc(C[NH2+][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])cc(Br)c1OC ZINC000426738263 1126085232 /nfs/dbraw/zinc/08/52/32/1126085232.db2.gz UROXIRGDYWQUML-INIZCTEOSA-N 0 0 442.737 4.295 20 0 IIADRN COc1cccc(C[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)C(=O)[O-])c1 ZINC000426798365 1126091143 /nfs/dbraw/zinc/09/11/43/1126091143.db2.gz FANDDGIXKPPYBX-INIZCTEOSA-N 0 0 443.135 4.006 20 0 IIADRN Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000426741698 1126085631 /nfs/dbraw/zinc/08/56/31/1126085631.db2.gz MFUOAJIDIVBUQP-LJQANCHMSA-N 0 0 448.748 4.382 20 0 IIADRN COc1cc(C[NH2+][C@H](Cc2cccc(Cl)c2)C(=O)[O-])ccc1OCc1ccncc1 ZINC000426742175 1126085811 /nfs/dbraw/zinc/08/58/11/1126085811.db2.gz OQKGXVOTCMQWQB-HXUWFJFHSA-N 0 0 426.900 4.108 20 0 IIADRN COc1cc(C[NH2+][C@H](Cc2ccc(F)cc2)C(=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000426745729 1126086227 /nfs/dbraw/zinc/08/62/27/1126086227.db2.gz HVQSNRIQAQDVBM-OAQYLSRUSA-N 0 0 427.447 4.338 20 0 IIADRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000426749812 1126086995 /nfs/dbraw/zinc/08/69/95/1126086995.db2.gz ITCLNKNLQDRMDP-GOSISDBHSA-N 0 0 425.451 4.104 20 0 IIADRN CC(C)(C)c1ncc(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])s1 ZINC000426751733 1126087142 /nfs/dbraw/zinc/08/71/42/1126087142.db2.gz XTEBOOVLYVXYEW-OAHLLOKOSA-N 0 0 436.375 4.470 20 0 IIADRN COc1ccc(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])cc1Cl ZINC000426799851 1126091003 /nfs/dbraw/zinc/09/10/03/1126091003.db2.gz JNFDRQYBKXKPPL-QGZVFWFLSA-N 0 0 437.721 4.378 20 0 IIADRN CCOc1ccc(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])cc1OC ZINC000426801495 1126091265 /nfs/dbraw/zinc/09/12/65/1126091265.db2.gz RFFMXGPRHCFZBP-GOSISDBHSA-N 0 0 447.329 4.123 20 0 IIADRN C[C@H]1CCc2nc(C[NH2+][C@@H](Cc3c[nH]c4ccc(Br)cc34)C(=O)[O-])sc2C1 ZINC000426800825 1126091326 /nfs/dbraw/zinc/09/13/26/1126091326.db2.gz PFABUOBUAOVPOY-GTNSWQLSSA-N 0 0 448.386 4.297 20 0 IIADRN O=C([O-])[C@H](Cc1ccco1)[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000426812607 1126092242 /nfs/dbraw/zinc/09/22/42/1126092242.db2.gz ZBSSPVVUMBOBIN-IBGZPJMESA-N 0 0 430.298 4.407 20 0 IIADRN O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000426817029 1126092344 /nfs/dbraw/zinc/09/23/44/1126092344.db2.gz AHNKDRZUSYXLHF-HNNXBMFYSA-N 0 0 434.664 4.489 20 0 IIADRN CC(=O)N(c1nc(CNC2(CO)Cc3ccccc3C2)cs1)c1c(C)cc(C)cc1C ZINC000550389754 1126096767 /nfs/dbraw/zinc/09/67/67/1126096767.db2.gz LYFAQIZWEWZAAF-UHFFFAOYSA-N 0 0 435.593 4.372 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000574105550 1126098170 /nfs/dbraw/zinc/09/81/70/1126098170.db2.gz VBKNNQSEOUMILM-SFHVURJKSA-N 0 0 434.721 4.074 20 0 IIADRN Cn1c2ccc(C(F)(F)F)cc2nc1CN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000675472915 1126105082 /nfs/dbraw/zinc/10/50/82/1126105082.db2.gz GDTPPGVBONNQJS-MAUKXSAKSA-N 0 0 431.380 4.216 20 0 IIADRN Cc1ccccc1COc1c(C)cc(C[NH2+][C@@H](Cn2cc(Cl)cn2)C(=O)[O-])cc1C ZINC001343647344 1126181922 /nfs/dbraw/zinc/18/19/22/1126181922.db2.gz BCNIZVIFWUIXCM-NRFANRHFSA-N 0 0 427.932 4.284 20 0 IIADRN O[C@@H](c1ccc(F)cc1)C1CCN(Cc2ccc(I)cc2)CC1 ZINC000013473851 562988494 /nfs/dbraw/zinc/98/84/94/562988494.db2.gz CRRXNSJNCQZPSK-IBGZPJMESA-N 0 0 425.285 4.376 20 0 IIADRN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)CC1 ZINC000061936251 563150904 /nfs/dbraw/zinc/15/09/04/563150904.db2.gz VWQWRHISCNKPAY-UHFFFAOYSA-N 0 0 437.540 4.202 20 0 IIADRN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000061936255 563150906 /nfs/dbraw/zinc/15/09/06/563150906.db2.gz YDMIJLWCKLVHRR-UHFFFAOYSA-N 0 0 437.540 4.202 20 0 IIADRN COc1ccc2nc(C(F)(F)N3C[C@H]4c5ccccc5NC(=O)[C@@H]4C3)nc(Cl)c2c1 ZINC001164401489 718858671 /nfs/dbraw/zinc/85/86/71/718858671.db2.gz FIGHQEOZFFYZOL-LSDHHAIUSA-N 0 0 430.842 4.009 20 0 IIADRN FC1(F)C[C@@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164409552 718870506 /nfs/dbraw/zinc/87/05/06/718870506.db2.gz RFCWXAPXTYDMCD-AEFFLSMTSA-N 0 0 442.535 4.282 20 0 IIADRN O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2CCCO[C@@H]2C1 ZINC001164419694 718897741 /nfs/dbraw/zinc/89/77/41/718897741.db2.gz IXPZGRQNZAEXMO-NVXWUHKLSA-N 0 0 437.874 4.037 20 0 IIADRN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN([C@H](F)c1ccnc(Cl)c1)CC2 ZINC001164427114 718953481 /nfs/dbraw/zinc/95/34/81/718953481.db2.gz ARHHUGMGQRHZPY-FPOVZHCZSA-N 0 0 431.939 4.200 20 0 IIADRN CCOC(=O)[C@]12C[C@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164623975 719041478 /nfs/dbraw/zinc/04/14/78/719041478.db2.gz NNBYMCWBNXXDKB-GYCJOSAFSA-N 0 0 440.613 4.088 20 0 IIADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164647206 719291914 /nfs/dbraw/zinc/29/19/14/719291914.db2.gz RBEQCWXVMGLHSD-INMHGKMJSA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164648510 719292112 /nfs/dbraw/zinc/29/21/12/719292112.db2.gz UQPMDKOXKHULNS-OTWHNJEPSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164649359 719292142 /nfs/dbraw/zinc/29/21/42/719292142.db2.gz WKIXSKUEDMZYCC-MPGHIAIKSA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164646733 719293448 /nfs/dbraw/zinc/29/34/48/719293448.db2.gz PUTBTULAGAABHA-ZJOUEHCJSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164650335 719293486 /nfs/dbraw/zinc/29/34/86/719293486.db2.gz YZZWLFAMKXAYDE-VYDXJSESSA-N 0 0 430.282 4.281 20 0 IIADRN CSc1ccc(C(F)(F)N2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)nc1Cl ZINC001164645727 719293879 /nfs/dbraw/zinc/29/38/79/719293879.db2.gz LHOUEJOQLZGLME-MPGHIAIKSA-N 0 0 441.931 4.350 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645474 719294097 /nfs/dbraw/zinc/29/40/97/719294097.db2.gz JEMUWGNSLAWNBH-FHWLQOOXSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(Sc1ccc(Cl)nc1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164651694 719295562 /nfs/dbraw/zinc/29/55/62/719295562.db2.gz MCWPGKLXUHXOHB-RYRKJORJSA-N 0 0 427.904 4.221 20 0 IIADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc(-c5ccc(Cl)nn5)cc4)C[C@@H]3O2)n1 ZINC001164656076 719300915 /nfs/dbraw/zinc/30/09/15/719300915.db2.gz VULBYVZYGROYPN-WBAXXEDZSA-N 0 0 447.873 4.390 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)C[C@@H]2CCCO[C@@H]12 ZINC001164655415 719303150 /nfs/dbraw/zinc/30/31/50/719303150.db2.gz UGVSWSOMCNYOJS-RRMPHLOHSA-N 0 0 435.902 4.039 20 0 IIADRN COC(=O)c1ccc(-c2ccc(N3CCc4c(CN(C)C)nn(C(C)C)c4C3)nc2C)cc1 ZINC001164652816 719314563 /nfs/dbraw/zinc/31/45/63/719314563.db2.gz QVEFPOAXSGOSEY-UHFFFAOYSA-N 0 0 447.583 4.245 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCc3c(CN(C)C)nn(C(C)C)c3C2)c1 ZINC001164651336 719314723 /nfs/dbraw/zinc/31/47/23/719314723.db2.gz JEUKWDFFCQPPEX-UHFFFAOYSA-N 0 0 429.968 4.404 20 0 IIADRN FC(F)(c1cccc(Cl)n1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164655801 719323002 /nfs/dbraw/zinc/32/30/02/719323002.db2.gz YSDXPURRVYDVOO-UHFFFAOYSA-N 0 0 445.901 4.423 20 0 IIADRN FC(F)(c1ccc(Cl)nc1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164651887 719323044 /nfs/dbraw/zinc/32/30/44/719323044.db2.gz IEZBIKPZXVZSFT-UHFFFAOYSA-N 0 0 445.901 4.423 20 0 IIADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCO[C@@H]2[C@@H](OCC3CCCC3)CC[C@@H]21 ZINC001164663202 719342601 /nfs/dbraw/zinc/34/26/01/719342601.db2.gz WFZFSBAIKKRIMZ-LNLFQRSKSA-N 0 0 444.906 4.010 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)c(Cl)c(C)n1)CC2 ZINC001164658583 719351660 /nfs/dbraw/zinc/35/16/60/719351660.db2.gz JQMSJOVEZIDOLQ-UHFFFAOYSA-N 0 0 436.991 4.442 20 0 IIADRN CCn1nnc2c1[C@H](COC)CN(C(F)(F)c1cc(-c3cccc(C)c3)nnc1Cl)C2 ZINC001164664417 719362459 /nfs/dbraw/zinc/36/24/59/719362459.db2.gz PVELYRQQUXLPBR-HNNXBMFYSA-N 0 0 448.905 4.012 20 0 IIADRN CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4C(F)(F)F)c3)C[C@@H]21 ZINC001164668986 719475321 /nfs/dbraw/zinc/47/53/21/719475321.db2.gz SBQCLOHTHWMOAX-DLBZAZTESA-N 0 0 447.835 4.485 20 0 IIADRN COC(=O)c1cc2ccccc2c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1 ZINC001164669785 719523810 /nfs/dbraw/zinc/52/38/10/719523810.db2.gz AAWRNVGQQIUCEZ-UHFFFAOYSA-N 0 0 449.526 4.032 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2ccnc(Cc4ccccc4)n2)CC3)cc1 ZINC001164678804 719524911 /nfs/dbraw/zinc/52/49/11/719524911.db2.gz NYWQYLYOTSNYFL-UHFFFAOYSA-N 0 0 432.543 4.078 20 0 IIADRN COc1cc2ccnc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)c2cc1F ZINC001164678779 719529814 /nfs/dbraw/zinc/52/98/14/719529814.db2.gz NLUWXSYYAFJXBP-UHFFFAOYSA-N 0 0 439.506 4.393 20 0 IIADRN O=C([C@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)CC12CCOCC2)N1CC=CC1 ZINC001164677644 719559393 /nfs/dbraw/zinc/55/93/93/719559393.db2.gz QGHNAVSDXOPETG-GOSISDBHSA-N 0 0 447.913 4.065 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)C[C@@H]2COc1cccnc1 ZINC001164688016 719599508 /nfs/dbraw/zinc/59/95/08/719599508.db2.gz SNDJLTOADHXIGH-OAHLLOKOSA-N 0 0 445.901 4.166 20 0 IIADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)N1Cc1cccnc1 ZINC001164690374 719777305 /nfs/dbraw/zinc/77/73/05/719777305.db2.gz BAPDVVXKQXKRLF-ROUUACIJSA-N 0 0 444.869 4.315 20 0 IIADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCOC[C@@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164806162 720051324 /nfs/dbraw/zinc/05/13/24/720051324.db2.gz RRBZEXZBOHMWPN-GHTZIAJQSA-N 0 0 448.901 4.084 20 0 IIADRN Cc1noc([C@@]23COC[C@H]2CN(C(F)(F)c2cnc(Cl)c(C4CCCCC4)c2)C3)n1 ZINC001164810899 720064169 /nfs/dbraw/zinc/06/41/69/720064169.db2.gz MFNXZWQCTBLVIL-UZLBHIALSA-N 0 0 438.906 4.423 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3cccc(OC)c3)nnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164709935 720066656 /nfs/dbraw/zinc/06/66/56/720066656.db2.gz CDFFIXNZHBDUJF-IPMKNSEASA-N 0 0 439.890 4.123 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164710280 720067032 /nfs/dbraw/zinc/06/70/32/720067032.db2.gz DQMDJKLSVUZZRK-RCCFBDPRSA-N 0 0 427.854 4.254 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164710276 720067430 /nfs/dbraw/zinc/06/74/30/720067430.db2.gz DQMDJKLSVUZZRK-KURKYZTESA-N 0 0 427.854 4.254 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)c(Cl)n2)cs1 ZINC001164815655 720254647 /nfs/dbraw/zinc/25/46/47/720254647.db2.gz CZJUWWOFLOPDEW-KGLIPLIRSA-N 0 0 447.338 4.468 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)ccc2C)cs1 ZINC001164815635 720255506 /nfs/dbraw/zinc/25/55/06/720255506.db2.gz CXIOAAFXZWJMJP-HUUCEWRRSA-N 0 0 426.920 4.123 20 0 IIADRN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cc2ccccc2nc1Cl ZINC001164721952 720315032 /nfs/dbraw/zinc/31/50/32/720315032.db2.gz JCVQEMDALLCKLZ-IBGZPJMESA-N 0 0 447.917 4.450 20 0 IIADRN Fc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc(Cl)c2c1 ZINC001164731015 720379249 /nfs/dbraw/zinc/37/92/49/720379249.db2.gz YAYYIGXZLAYJAM-MSOLQXFVSA-N 0 0 433.865 4.215 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3F)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164820790 720389000 /nfs/dbraw/zinc/38/90/00/720389000.db2.gz CNECQGOXBVGMAO-BFYDXBDKSA-N 0 0 433.883 4.137 20 0 IIADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)O2)n1 ZINC001164830542 720404906 /nfs/dbraw/zinc/40/49/06/720404906.db2.gz SBJNLJKNBPAVKD-KFWWJZLASA-N 0 0 439.825 4.158 20 0 IIADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3ccc([Si](C)(C)C)c(Cl)n3)O2)n1 ZINC001164829204 720406621 /nfs/dbraw/zinc/40/66/21/720406621.db2.gz LZMKQSZMYCUMIU-RDBSUJKOSA-N 0 0 442.970 4.016 20 0 IIADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3[C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)O2)n1 ZINC001164830589 720409565 /nfs/dbraw/zinc/40/95/65/720409565.db2.gz SHQWNRBWYOCLET-WKRCXCSHSA-N 0 0 445.882 4.115 20 0 IIADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C[C@H]21 ZINC001164824340 720418211 /nfs/dbraw/zinc/41/82/11/720418211.db2.gz KUKDXXJBWNTIGX-GJYPPUQNSA-N 0 0 437.918 4.047 20 0 IIADRN O[C@@H]1CCN(c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)[C@@H]1Cc1ccccc1 ZINC001164830402 720492172 /nfs/dbraw/zinc/49/21/72/720492172.db2.gz BJPBHLPVDCKEHK-NHCUHLMSSA-N 0 0 448.636 4.348 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)CC[C@H]21)N1CCCCC1 ZINC001164835494 720496930 /nfs/dbraw/zinc/49/69/30/720496930.db2.gz YSYNZTNTVMHINN-CPUCHLNUSA-N 0 0 448.341 4.177 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3Cl)CC[C@H]21)N1CCCCC1 ZINC001164834773 720496956 /nfs/dbraw/zinc/49/69/56/720496956.db2.gz UQFNLRDHTDVABD-LZWOXQAQSA-N 0 0 448.341 4.177 20 0 IIADRN CC(C)(c1ccnc(Cl)c1)N1CCOC[C@@]2(C[C@H](CNc3cccc(F)c3)CO2)C1 ZINC001164731593 720497702 /nfs/dbraw/zinc/49/77/02/720497702.db2.gz WPIRSQDRSGJYMX-UZUQRXQVSA-N 0 0 433.955 4.329 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccnc(Cl)c3Cl)CC[C@H]21)N1CCCCC1 ZINC001164832618 720497968 /nfs/dbraw/zinc/49/79/68/720497968.db2.gz KFLSRJOAFARHGS-FMKPAKJESA-N 0 0 448.341 4.177 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164736070 720537316 /nfs/dbraw/zinc/53/73/16/720537316.db2.gz UZWQHEUHZKOGSZ-IFXJQAMLSA-N 0 0 427.854 4.269 20 0 IIADRN Clc1ccc(CN2CCCC2)c(N2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)n1 ZINC001164736411 720539894 /nfs/dbraw/zinc/53/98/94/720539894.db2.gz XUZNKDDHCNNVNW-GBXCKJPGSA-N 0 0 442.991 4.180 20 0 IIADRN FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164849901 720769293 /nfs/dbraw/zinc/76/92/93/720769293.db2.gz UODBSVUXAOMMPD-IMJJTQAJSA-N 0 0 445.297 4.066 20 0 IIADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cc(Cl)ncc3Cl)C2)CC1 ZINC001164855816 720893574 /nfs/dbraw/zinc/89/35/74/720893574.db2.gz CKCZVIGZUWHOKF-UHFFFAOYSA-N 0 0 441.309 4.461 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1CC[C@]2(C1)C[C@H](NC(=O)c1ccccc1)CCO2 ZINC001164860532 720900362 /nfs/dbraw/zinc/90/03/62/720900362.db2.gz RXUBSZIBEIFBLQ-DYESRHJHSA-N 0 0 435.902 4.146 20 0 IIADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@@H]21 ZINC001164759261 721005180 /nfs/dbraw/zinc/00/51/80/721005180.db2.gz ZGYXPEMBVUOQMN-UFYCRDLUSA-N 0 0 431.870 4.249 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164767753 721027864 /nfs/dbraw/zinc/02/78/64/721027864.db2.gz STHQFIWEBSJKCV-BEFAXECRSA-N 0 0 427.854 4.159 20 0 IIADRN Clc1ccc(CN2CCCC2)c(N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)n1 ZINC001164763827 721028836 /nfs/dbraw/zinc/02/88/36/721028836.db2.gz LSDOSOLBTAUECL-URXFXBBRSA-N 0 0 442.991 4.071 20 0 IIADRN CSc1ccc(C(F)(F)N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)nc1Cl ZINC001164773004 721053458 /nfs/dbraw/zinc/05/34/58/721053458.db2.gz RENCPECGGQRKSX-LSDHHAIUSA-N 0 0 438.931 4.085 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CC3)c2)n1 ZINC001164766695 721057553 /nfs/dbraw/zinc/05/75/53/721057553.db2.gz FSMRDDPGGWMTSD-RBUKOAKNSA-N 0 0 432.902 4.241 20 0 IIADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164872662 721219893 /nfs/dbraw/zinc/21/98/93/721219893.db2.gz NWQOZGCEKHOVNI-UHFFFAOYSA-N 0 0 445.901 4.099 20 0 IIADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164871900 721251230 /nfs/dbraw/zinc/25/12/30/721251230.db2.gz BRQIEXXDHXKXAU-SNRMKQJTSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164873423 721253280 /nfs/dbraw/zinc/25/32/80/721253280.db2.gz IJPOHTWSLWBRBP-YSSFQJQWSA-N 0 0 435.902 4.369 20 0 IIADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3cccnc3Cl)C2)O1)c1ccccc1 ZINC001164878000 721253648 /nfs/dbraw/zinc/25/36/48/721253648.db2.gz RZFFTJKYUATZJN-LAUBAEHRSA-N 0 0 435.902 4.228 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164766944 721272543 /nfs/dbraw/zinc/27/25/43/721272543.db2.gz PIWDQWRTTIYFRN-ZDUSSCGKSA-N 0 0 440.281 4.240 20 0 IIADRN Cc1cc(C(F)(F)N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)cc(Cl)n1 ZINC001164879157 721293954 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PVQMXYOPPSXSPZ-RYQLBKOJSA-N 0 0 435.902 4.313 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164879909 721316087 /nfs/dbraw/zinc/31/60/87/721316087.db2.gz UJBFUNLNGMZGJE-HNNXBMFYSA-N 0 0 426.294 4.434 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164879912 721316698 /nfs/dbraw/zinc/31/66/98/721316698.db2.gz UJYJGUHUYSTRSV-HNNXBMFYSA-N 0 0 426.294 4.434 20 0 IIADRN Cc1cc(C(F)(F)N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)cc(Cl)n1 ZINC001164776935 721325258 /nfs/dbraw/zinc/32/52/58/721325258.db2.gz GZLAZLUFIHROBF-OAHLLOKOSA-N 0 0 427.854 4.329 20 0 IIADRN Cc1cc(C(F)(F)N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)cc(Cl)n1 ZINC001164878138 721327662 /nfs/dbraw/zinc/32/76/62/721327662.db2.gz ZANNSXPEQSPYLU-UHFFFAOYSA-N 0 0 426.920 4.178 20 0 IIADRN O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1ccc(F)c(Cl)n1)CC2 ZINC001164873341 721328326 /nfs/dbraw/zinc/32/83/26/721328326.db2.gz BHOWSZQBXHMTNZ-UHFFFAOYSA-N 0 0 430.883 4.008 20 0 IIADRN O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001164875461 721328403 /nfs/dbraw/zinc/32/84/03/721328403.db2.gz LCLRHHWXMGQELP-UHFFFAOYSA-N 0 0 430.883 4.008 20 0 IIADRN O=C1C[C@@H]2[C@@H](CCN2[C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)N1c1ccsc1 ZINC001164883241 721359152 /nfs/dbraw/zinc/35/91/52/721359152.db2.gz OOZZCVAHANAFEL-OPYAIIAOSA-N 0 0 444.919 4.370 20 0 IIADRN O=C1CO[C@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@H]2N1c1cccc(F)c1 ZINC001164882440 721365349 /nfs/dbraw/zinc/36/53/49/721365349.db2.gz JIYFDWGQIZMRKT-MSOLQXFVSA-N 0 0 447.844 4.193 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164782996 721384523 /nfs/dbraw/zinc/38/45/23/721384523.db2.gz MTOWTSKFSPNJKF-OXQOHEQNSA-N 0 0 441.881 4.406 20 0 IIADRN CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164790841 721425331 /nfs/dbraw/zinc/42/53/31/721425331.db2.gz YIOFNXWTGNVLGJ-GJZGRUSLSA-N 0 0 442.972 4.090 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164783688 721433449 /nfs/dbraw/zinc/43/34/49/721433449.db2.gz JJTQJNKDVKHEIJ-HZPDHXFCSA-N 0 0 447.942 4.367 20 0 IIADRN Cc1nc(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164787474 721434601 /nfs/dbraw/zinc/43/46/01/721434601.db2.gz RNQWLGPGGIDMII-KDURUIRLSA-N 0 0 440.016 4.362 20 0 IIADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164785526 721434662 /nfs/dbraw/zinc/43/46/62/721434662.db2.gz NJOWKKXFGYDACM-PHIMTYICSA-N 0 0 438.853 4.323 20 0 IIADRN Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164784205 721436836 /nfs/dbraw/zinc/43/68/36/721436836.db2.gz KVIGBYPMQFSHAM-HOTGVXAUSA-N 0 0 427.961 4.255 20 0 IIADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2cnc(Cl)nc2)CCO3)cs1 ZINC001164781521 721443098 /nfs/dbraw/zinc/44/30/98/721443098.db2.gz GDCFMFZTGTZGML-RDTXWAMCSA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2nccnc2Cl)CCO3)cs1 ZINC001164787282 721444915 /nfs/dbraw/zinc/44/49/15/721444915.db2.gz WQNAQMRXVCDWKF-RDTXWAMCSA-N 0 0 444.935 4.032 20 0 IIADRN CCOC[C@@H]1CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)Cc2cnn(C)c21 ZINC001164793142 721477116 /nfs/dbraw/zinc/47/71/16/721477116.db2.gz SLLQOMDEPQXQAB-LBPRGKRZSA-N 0 0 442.297 4.355 20 0 IIADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164898620 721487675 /nfs/dbraw/zinc/48/76/75/721487675.db2.gz WMZKKYGZQRRBQJ-OAHLLOKOSA-N 0 0 428.874 4.163 20 0 IIADRN Fc1cccnc1OC[C@]12COC[C@@H]1CN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164793133 721489269 /nfs/dbraw/zinc/48/92/69/721489269.db2.gz OALDQFSLLUDWIM-YWZLYKJASA-N 0 0 439.865 4.223 20 0 IIADRN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164901489 721491063 /nfs/dbraw/zinc/49/10/63/721491063.db2.gz VNLFFWPEOGLYLU-OAHLLOKOSA-N 0 0 439.934 4.202 20 0 IIADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3nc(C)cc(Cl)n3)CC2)c2ccc(C)cc21 ZINC001164896397 721491801 /nfs/dbraw/zinc/49/18/01/721491801.db2.gz AZJLWUBYEAISSR-QGZVFWFLSA-N 0 0 449.933 4.204 20 0 IIADRN 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CC1(C)Cc2cccc(C[NH2+][C@H](Cc3c[nH]c4ccc(Br)cc34)C(=O)[O-])c2O1 ZINC000426787181 1126090538 /nfs/dbraw/zinc/09/05/38/1126090538.db2.gz BOIWNVSCURAMNE-LJQANCHMSA-N 0 0 443.341 4.429 20 0 IIADRN COc1cc(C[NH2+][C@H](Cc2cccc(Cl)c2)C(=O)[O-])ccc1OCc1c(C)noc1C ZINC000426744122 1126086168 /nfs/dbraw/zinc/08/61/68/1126086168.db2.gz PYBOXZMGFQVWHO-HXUWFJFHSA-N 0 0 444.915 4.318 20 0 IIADRN CCOc1ccc(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cc1OC ZINC000426752077 1126087436 /nfs/dbraw/zinc/08/74/36/1126087436.db2.gz AVNMPISGYHCWTJ-QGZVFWFLSA-N 0 0 447.329 4.123 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000426801670 1126091208 /nfs/dbraw/zinc/09/12/08/1126091208.db2.gz RYEAABMNVKQHAK-GOSISDBHSA-N 0 0 449.732 4.304 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1ccc(Br)o1 ZINC000426805728 1126091475 /nfs/dbraw/zinc/09/14/75/1126091475.db2.gz FECWNYKMNYVYJB-CQSZACIVSA-N 0 0 442.107 4.071 20 0 IIADRN CCOc1c(Br)cc(C[NH2+][C@H](Cc2cc(C)cc(C)c2)C(=O)[O-])cc1OC ZINC000426824242 1126092772 /nfs/dbraw/zinc/09/27/72/1126092772.db2.gz GZXKAHBCAYGSOZ-GOSISDBHSA-N 0 0 436.346 4.259 20 0 IIADRN CC(=O)N(c1nc(CN[C@H](CO)Cc2c[nH]c3ccccc23)cs1)c1ccc(C)cc1 ZINC000537297671 1126096823 /nfs/dbraw/zinc/09/68/23/1126096823.db2.gz ONNDQKSBAXWUIP-IBGZPJMESA-N 0 0 434.565 4.311 20 0 IIADRN O[C@@H]([C@H](Cc1ccccc1)NCc1csc(-c2ccc3c(c2)OCO3)n1)C(F)(F)F ZINC000604765785 1126099548 /nfs/dbraw/zinc/09/95/48/1126099548.db2.gz IIUWVCDLMIHNNO-LPHOPBHVSA-N 0 0 436.455 4.163 20 0 IIADRN Cc1cc(-c2noc(CN[C@](C)(CO)Cc3ccc(Br)cc3)n2)ccc1F ZINC001308118940 1126164076 /nfs/dbraw/zinc/16/40/76/1126164076.db2.gz WQZAPMDHYXZENY-FQEVSTJZSA-N 0 0 434.309 4.030 20 0 IIADRN CC(=O)N(c1nc(CN[C@@](C)(CO)Cc2ccccc2F)cs1)c1ccc(F)cc1F ZINC001621463355 1126246539 /nfs/dbraw/zinc/24/65/39/1126246539.db2.gz WFOJQVDZFRFHJP-JOCHJYFZSA-N 0 0 449.498 4.328 20 0 IIADRN Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Br)c([O-])c(Br)c2)cc1C ZINC001621377007 1126246555 /nfs/dbraw/zinc/24/65/55/1126246555.db2.gz UUFLROYYKGMHPM-HNNXBMFYSA-N 0 0 443.179 4.227 20 0 IIADRN O=C(Nc1ccc(Br)cn1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531251 527159760 /nfs/dbraw/zinc/15/97/60/527159760.db2.gz SZESWVQKZUOVOR-LJQANCHMSA-N 0 0 436.309 4.050 20 0 IIADRN COC(=O)[C@]1(C)CCCN1c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164392171 718805389 /nfs/dbraw/zinc/80/53/89/718805389.db2.gz YWTKPPHCXOCJGF-QHCPKHFHSA-N 0 0 428.602 4.088 20 0 IIADRN F[C@@]1(N2CC[C@@]3(CCOC3)C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164389979 718807001 /nfs/dbraw/zinc/80/70/01/718807001.db2.gz MQUQMSGTCLADSH-NHCUHLMSSA-N 0 0 437.346 4.034 20 0 IIADRN O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2CC(F)(F)[C@@H]2C1 ZINC001164407814 718867952 /nfs/dbraw/zinc/86/79/52/718867952.db2.gz KDTUUDPYQXNZHC-TZMCWYRMSA-N 0 0 429.801 4.123 20 0 IIADRN FC(F)(c1cccc(Cl)n1)N1CCO[C@@H](c2ncn3c2cccc3Br)C1 ZINC001164419789 718889556 /nfs/dbraw/zinc/88/95/56/718889556.db2.gz RCQGOEDWDMMJDJ-GFCCVEGCSA-N 0 0 443.679 4.268 20 0 IIADRN FC1(F)CO[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164424763 718928730 /nfs/dbraw/zinc/92/87/30/718928730.db2.gz PISIPHGDUIBFNX-JKSUJKDBSA-N 0 0 434.556 4.026 20 0 IIADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CC(=O)c4ccc(F)cc43)CC2)c1 ZINC001164422649 718937440 /nfs/dbraw/zinc/93/74/40/718937440.db2.gz AKZCKKKGJJFOGR-UHFFFAOYSA-N 0 0 438.833 4.330 20 0 IIADRN F[C@@H]1CN([C@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)C[C@H]2C[C@H]21 ZINC001164431513 718962557 /nfs/dbraw/zinc/96/25/57/718962557.db2.gz ORJNKIWXWZHZRV-NOAAKOMESA-N 0 0 425.310 4.211 20 0 IIADRN O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001164432821 718962620 /nfs/dbraw/zinc/96/26/20/718962620.db2.gz YHYSIBNFBWZOLC-WHOFXGATSA-N 0 0 446.256 4.480 20 0 IIADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164431860 718974222 /nfs/dbraw/zinc/97/42/22/718974222.db2.gz CBQMUVRLIOMSPS-WIYYLYMNSA-N 0 0 436.886 4.495 20 0 IIADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164431644 718974442 /nfs/dbraw/zinc/97/44/42/718974442.db2.gz ADSVQEYOLWUZKD-KBXCAEBGSA-N 0 0 446.281 4.030 20 0 IIADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCn3c(C)ncc3C2)cc1 ZINC001164440355 718990686 /nfs/dbraw/zinc/99/06/86/718990686.db2.gz MQSCWAIOCCLKCL-UHFFFAOYSA-N 0 0 432.858 4.259 20 0 IIADRN CN(C)c1cc(C(F)(F)N2C[C@@H]3C[C@@H](c4nc(C5CC5)cs4)O[C@@H]3C2)nc(Cl)n1 ZINC001164648514 719290689 /nfs/dbraw/zinc/29/06/89/719290689.db2.gz URSSCZZFKSNRJS-FPMFFAJLSA-N 0 0 441.935 4.041 20 0 IIADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc(-c5ccc(Cl)nn5)cc4)C[C@H]3O2)n1 ZINC001164656073 719300695 /nfs/dbraw/zinc/30/06/95/719300695.db2.gz VULBYVZYGROYPN-FHLIZLRMSA-N 0 0 447.873 4.390 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)C[C@H]2CCCO[C@H]21 ZINC001164654249 719305295 /nfs/dbraw/zinc/30/52/95/719305295.db2.gz QXIKRKRZJXKZSQ-XFQXTVEOSA-N 0 0 435.902 4.039 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)C[C@@H]2CCCO[C@H]12 ZINC001164654245 719305418 /nfs/dbraw/zinc/30/54/18/719305418.db2.gz QXIKRKRZJXKZSQ-CVAIRZPRSA-N 0 0 435.902 4.039 20 0 IIADRN CSc1ccc(Oc2cc(N3CCc4c(CN(C)C)nn(C(C)C)c4C3)ncn2)cc1 ZINC001164652783 719314276 /nfs/dbraw/zinc/31/42/76/719314276.db2.gz PRKCYYQUORICGR-UHFFFAOYSA-N 0 0 438.601 4.393 20 0 IIADRN COC(=O)c1cc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCC2CCCC2)cnc1Cl ZINC001164659165 719342656 /nfs/dbraw/zinc/34/26/56/719342656.db2.gz AJXQAGGTXVPTGX-SQNIBIBYSA-N 0 0 444.906 4.010 20 0 IIADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCO[C@@H]2[C@@H](OCC3CCCC3)CC[C@@H]21 ZINC001164663190 719343046 /nfs/dbraw/zinc/34/30/46/719343046.db2.gz VZBFWHXYOBZIJR-BXWFABGCSA-N 0 0 444.906 4.010 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(F)ccc31)CC2 ZINC001164663912 719346989 /nfs/dbraw/zinc/34/69/89/719346989.db2.gz OZGNZEZFEBZOIL-UHFFFAOYSA-N 0 0 442.542 4.464 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3ccc(F)cc3n1)CC2 ZINC001164664491 719349347 /nfs/dbraw/zinc/34/93/47/719349347.db2.gz VVRSTEONJJAGEW-UHFFFAOYSA-N 0 0 442.542 4.464 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(C3CC3)n1)CC2 ZINC001164660589 719354796 /nfs/dbraw/zinc/35/47/96/719354796.db2.gz VQKHRBCJYRCBDM-UHFFFAOYSA-N 0 0 428.584 4.357 20 0 IIADRN COc1cccc(-c2ccnc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)n2)c1 ZINC001164673925 719517116 /nfs/dbraw/zinc/51/71/16/719517116.db2.gz TWOXALHKTZRQKS-UHFFFAOYSA-N 0 0 448.542 4.163 20 0 IIADRN CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1 ZINC001164679134 719533308 /nfs/dbraw/zinc/53/33/08/719533308.db2.gz UFRXRIFXNFQMDR-SFHVURJKSA-N 0 0 437.563 4.482 20 0 IIADRN O=C([C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)CC12CCOCC2)N1CC=CC1 ZINC001164678255 719558248 /nfs/dbraw/zinc/55/82/48/719558248.db2.gz WLUXMTVJXAYMFQ-IBGZPJMESA-N 0 0 447.913 4.065 20 0 IIADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)Oc2cccc(Cl)n2)CC3)cs1 ZINC001164688185 719593818 /nfs/dbraw/zinc/59/38/18/719593818.db2.gz VIQWNOCXMNZDGQ-UHFFFAOYSA-N 0 0 442.919 4.086 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1cnc(Cl)c(Cl)c1)C[C@H]2COc1cccnc1 ZINC001164682649 719595729 /nfs/dbraw/zinc/59/57/29/719595729.db2.gz DEBNJWSAIWTQBX-LBPRGKRZSA-N 0 0 440.281 4.245 20 0 IIADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2ccc3ccnc(Cl)c3c2)N1Cc1cccnc1 ZINC001164690940 719766299 /nfs/dbraw/zinc/76/62/99/719766299.db2.gz JBRPALQOOHPSDV-OALUTQOASA-N 0 0 428.870 4.208 20 0 IIADRN CC(C)Oc1ncnc2c1CCN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164695957 719792231 /nfs/dbraw/zinc/79/22/31/719792231.db2.gz PQTMQLUTUYVLLX-QFIPXVFZSA-N 0 0 443.910 4.107 20 0 IIADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2nc(C)cc(Cl)n2)CC3)cs1 ZINC001164693777 719803970 /nfs/dbraw/zinc/80/39/70/719803970.db2.gz UPHKDXUUQDQMHI-UHFFFAOYSA-N 0 0 427.952 4.383 20 0 IIADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2cccc4c(Cl)ncnc42)CC3)cn1 ZINC001164700067 719826570 /nfs/dbraw/zinc/82/65/70/719826570.db2.gz ZYBSPANGLJAUDA-CQSZACIVSA-N 0 0 433.890 4.105 20 0 IIADRN COC[C@@H]1CN(C(F)(F)c2cc(-c3cccc(C)c3)nnc2Cl)Cc2cn(C)nc21 ZINC001164694667 719833585 /nfs/dbraw/zinc/83/35/85/719833585.db2.gz IBDPFWUPHQJHDA-INIZCTEOSA-N 0 0 433.890 4.134 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3ccc(OC)cc3)nnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164710746 720066565 /nfs/dbraw/zinc/06/65/65/720066565.db2.gz GJOQTWNAYMCTLS-QRVBRYPASA-N 0 0 439.890 4.123 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164710274 720067285 /nfs/dbraw/zinc/06/72/85/720067285.db2.gz DQMDJKLSVUZZRK-KSZLIROESA-N 0 0 427.854 4.254 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)nc2Cl)cs1 ZINC001164817391 720250956 /nfs/dbraw/zinc/25/09/56/720250956.db2.gz QVEDVQMAEJXIFS-ZIAGYGMSSA-N 0 0 447.338 4.468 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(C)cc(Cl)n2)cs1 ZINC001164817105 720255762 /nfs/dbraw/zinc/25/57/62/720255762.db2.gz OWTCKALHMRDHPH-CABCVRRESA-N 0 0 426.920 4.123 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(C)cc(Cl)n2)cs1 ZINC001164817110 720256205 /nfs/dbraw/zinc/25/62/05/720256205.db2.gz OWTCKALHMRDHPH-LSDHHAIUSA-N 0 0 426.920 4.123 20 0 IIADRN O=C1N(CC2CC2)CC[C@@]12CCCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)C2 ZINC001164818397 720281546 /nfs/dbraw/zinc/28/15/46/720281546.db2.gz KVIQBOGJHCCPPM-HXUWFJFHSA-N 0 0 436.890 4.164 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(F)c3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164823555 720389142 /nfs/dbraw/zinc/38/91/42/720389142.db2.gz OFWAYTNGOWOBHV-OAGGEKHMSA-N 0 0 433.883 4.137 20 0 IIADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3nc4ccsc4c(Cl)n3)O2)n1 ZINC001164831515 720402431 /nfs/dbraw/zinc/40/24/31/720402431.db2.gz VUGMVBUIHZEJKT-SRVKXCTJSA-N 0 0 427.864 4.080 20 0 IIADRN COc1ccc2nc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc(Cl)c2c1 ZINC001164730944 720449456 /nfs/dbraw/zinc/44/94/56/720449456.db2.gz JXLKOIVWOOBNHU-OALUTQOASA-N 0 0 445.901 4.085 20 0 IIADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2ccnc(Cl)c2)C3)c1 ZINC001164731166 720490157 /nfs/dbraw/zinc/49/01/57/720490157.db2.gz WHBSBMZEIJBXIC-YWZLYKJASA-N 0 0 441.881 4.143 20 0 IIADRN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@@H](O)[C@@H]3Cc3ccccc3)c2c1C ZINC001164834505 720492275 /nfs/dbraw/zinc/49/22/75/720492275.db2.gz SUYWPKSRWRQMJT-LEWJYISDSA-N 0 0 436.625 4.476 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3Cl)CC[C@H]21)N1CCCCC1 ZINC001164832619 720498235 /nfs/dbraw/zinc/49/82/35/720498235.db2.gz KFLSRJOAFARHGS-LZWOXQAQSA-N 0 0 448.341 4.177 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)CC[C@@H]21)N1CCCCC1 ZINC001164834102 720498290 /nfs/dbraw/zinc/49/82/90/720498290.db2.gz RMCLEAWTTIIISC-ZQIUZPCESA-N 0 0 448.341 4.177 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)n1)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164734491 720536369 /nfs/dbraw/zinc/53/63/69/720536369.db2.gz JAYRFECQQLGYFL-SCLBCKFNSA-N 0 0 445.297 4.178 20 0 IIADRN CC[C@@H]1N(c2nc(CN(CC)CC)nc3sc(C)c(C)c32)CCC[C@]12CCC(=O)N2 ZINC001164846832 720755857 /nfs/dbraw/zinc/75/58/57/720755857.db2.gz KDBRNGZRJMHHMB-SBUREZEXSA-N 0 0 429.634 4.178 20 0 IIADRN CC[C@@H]1N(c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)CCC[C@@]12CCC(=O)N2 ZINC001164844691 720757326 /nfs/dbraw/zinc/75/73/26/720757326.db2.gz CLIIIYMSRVOFQE-UQBPGWFLSA-N 0 0 449.624 4.448 20 0 IIADRN Fc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164847458 720773246 /nfs/dbraw/zinc/77/32/46/720773246.db2.gz MLWWJFRZJZXXEB-JLSDUUJJSA-N 0 0 427.854 4.157 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164845692 720773684 /nfs/dbraw/zinc/77/36/84/720773684.db2.gz GFKSQUMQMACAHB-UAGQMJEPSA-N 0 0 427.854 4.157 20 0 IIADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4cnc(Cl)nc4Cl)C3)C2=O)c1 ZINC001164854152 720806453 /nfs/dbraw/zinc/80/64/53/720806453.db2.gz SZPIAGLYSUKOKE-IBGZPJMESA-N 0 0 441.309 4.266 20 0 IIADRN O=C1[C@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C[C@H]2CN1Cc1ccncc1 ZINC001164854548 720812435 /nfs/dbraw/zinc/81/24/35/720812435.db2.gz UTBRMWYSXUFWQY-NEPJUHHUSA-N 0 0 447.700 4.077 20 0 IIADRN O=C1[C@@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C[C@H]2CN1Cc1ccncc1 ZINC001164854571 720812646 /nfs/dbraw/zinc/81/26/46/720812646.db2.gz UTBRMWYSXUFWQY-VXGBXAGGSA-N 0 0 447.700 4.077 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164757724 720974596 /nfs/dbraw/zinc/97/45/96/720974596.db2.gz PXGABDMUFCMPSQ-OAHLLOKOSA-N 0 0 433.890 4.088 20 0 IIADRN CSc1ccc(C(F)(F)N2Cc3cncn3C[C@H](COCC3CC3)C2)nc1Cl ZINC001164758971 720978206 /nfs/dbraw/zinc/97/82/06/720978206.db2.gz XSYKYIRERGUYBI-AWEZNQCLSA-N 0 0 428.936 4.261 20 0 IIADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@@H]21 ZINC001164758414 721010324 /nfs/dbraw/zinc/01/03/24/721010324.db2.gz ISCNRATXKBCWDV-QEJZJMRPSA-N 0 0 449.807 4.114 20 0 IIADRN Fc1ccc(C(F)(F)N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1Cl ZINC001164757979 721026670 /nfs/dbraw/zinc/02/66/70/721026670.db2.gz HBMZXLWAXYTYNG-HNAYVOBHSA-N 0 0 427.854 4.159 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164767758 721028301 /nfs/dbraw/zinc/02/83/01/721028301.db2.gz STHQFIWEBSJKCV-HNAYVOBHSA-N 0 0 427.854 4.159 20 0 IIADRN O=C(N1CCCC1)C12CC(C1)CN2C(F)(F)c1ccc(OCc2ccc(Cl)nc2)cc1 ZINC001164873892 721238757 /nfs/dbraw/zinc/23/87/57/721238757.db2.gz QNYFMPGHGCKXQU-UHFFFAOYSA-N 0 0 447.913 4.450 20 0 IIADRN FC(F)(N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21)C1(c2ccnc(Cl)c2)CC1 ZINC001164877450 721252511 /nfs/dbraw/zinc/25/25/11/721252511.db2.gz RKOOWZDYAFKFJU-QYZOEREBSA-N 0 0 435.902 4.455 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CCc3c(COCc4ccccn4)cncc3C2)n1 ZINC001164763634 721269835 /nfs/dbraw/zinc/26/98/35/721269835.db2.gz DIPIFNPZHFBMKJ-UHFFFAOYSA-N 0 0 431.874 4.053 20 0 IIADRN Cc1nc(Cl)cc(C(F)(F)N2CCc3c(COCc4ccccn4)cncc3C2)n1 ZINC001164768398 721269894 /nfs/dbraw/zinc/26/98/94/721269894.db2.gz UKAMPSJGXYITOS-UHFFFAOYSA-N 0 0 431.874 4.053 20 0 IIADRN Fc1ccc(C(F)(F)N2CCc3c(COCc4ccccn4)cncc3C2)nc1Cl ZINC001164768302 721270003 /nfs/dbraw/zinc/27/00/03/721270003.db2.gz UDZMJLANIPRDKA-UHFFFAOYSA-N 0 0 434.849 4.489 20 0 IIADRN Cc1cc(C(F)(F)N2CCc3c(COCc4ccccn4)cncc3C2)nc(Cl)n1 ZINC001164766150 721270410 /nfs/dbraw/zinc/27/04/10/721270410.db2.gz NZIJAHQYVIVUHN-UHFFFAOYSA-N 0 0 431.874 4.053 20 0 IIADRN FC(F)(c1cnc(Cl)cc1Cl)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164767620 721271832 /nfs/dbraw/zinc/27/18/32/721271832.db2.gz SAGKESWZBRWJDK-CYBMUJFWSA-N 0 0 440.281 4.240 20 0 IIADRN O=C1CCC2(CCN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)CC2)N1CC1CC1 ZINC001164777119 721306715 /nfs/dbraw/zinc/30/67/15/721306715.db2.gz QXVLXPUPPYNENW-QFIPXVFZSA-N 0 0 444.938 4.296 20 0 IIADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164875200 721310936 /nfs/dbraw/zinc/31/09/36/721310936.db2.gz CRTKPBAZGJCVGM-DAXOMENPSA-N 0 0 430.282 4.391 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001164880208 721316586 /nfs/dbraw/zinc/31/65/86/721316586.db2.gz WMFYQILPGALAOZ-HNNXBMFYSA-N 0 0 426.294 4.434 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cc(Cl)nc3c1CCC3)CC2 ZINC001164878089 721319832 /nfs/dbraw/zinc/31/98/32/721319832.db2.gz MSKCJUVQLXGOLF-SFHVURJKSA-N 0 0 431.914 4.269 20 0 IIADRN CN(C)C1=NOC2(C1)CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164875353 721326124 /nfs/dbraw/zinc/32/61/24/721326124.db2.gz FAYVSNJKRRLFMH-UHFFFAOYSA-N 0 0 430.286 4.116 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)c1 ZINC001164875314 721328859 /nfs/dbraw/zinc/32/88/59/721328859.db2.gz KCGMBXJDSNNLHZ-UHFFFAOYSA-N 0 0 426.920 4.178 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncc4cc(Cl)ccc4n3)C2)C1 ZINC001164779041 721353115 /nfs/dbraw/zinc/35/31/15/721353115.db2.gz PJXWSPOSYGYFDB-QHCPKHFHSA-N 0 0 441.963 4.007 20 0 IIADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)N1c1ccsc1 ZINC001164883998 721355533 /nfs/dbraw/zinc/35/55/33/721355533.db2.gz SJGMFJSEFAWKCX-CABCVRRESA-N 0 0 438.862 4.413 20 0 IIADRN O=C1CO[C@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C[C@H]2N1c1cccc(F)c1 ZINC001164881588 721363768 /nfs/dbraw/zinc/36/37/68/721363768.db2.gz FDTIYSZQFIRZAD-MOPGFXCFSA-N 0 0 447.844 4.193 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164779629 721382828 /nfs/dbraw/zinc/38/28/28/721382828.db2.gz BKMUFLGIJUCMJS-OXQOHEQNSA-N 0 0 441.881 4.406 20 0 IIADRN FC(F)(Oc1cccnc1Cl)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164780157 721383838 /nfs/dbraw/zinc/38/38/38/721383838.db2.gz FFEJWZDXDCKBEP-FXAWDEMLSA-N 0 0 439.890 4.147 20 0 IIADRN Fc1cnc(Cl)cc1C(F)(F)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164787778 721384397 /nfs/dbraw/zinc/38/43/97/721384397.db2.gz XLWGJIRPNUFZOV-OXJNMPFZSA-N 0 0 441.881 4.406 20 0 IIADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164781193 721416886 /nfs/dbraw/zinc/41/68/86/721416886.db2.gz CQBINDCDRJZXFS-HZPDHXFCSA-N 0 0 447.942 4.367 20 0 IIADRN c1csc(CN2C[C@@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C[C@@H]3C2)n1 ZINC001164785529 721433436 /nfs/dbraw/zinc/43/34/36/721433436.db2.gz NNAAHWQNOWRTOB-OYRHEFFESA-N 0 0 446.624 4.159 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cnc(Cl)cn2)CCO3)cs1 ZINC001164783835 721443308 /nfs/dbraw/zinc/44/33/08/721443308.db2.gz OIUCAEYHSHOWSL-KSSFIOAISA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2cnc(Cl)cn2)CCO3)cs1 ZINC001164783842 721443311 /nfs/dbraw/zinc/44/33/11/721443311.db2.gz OIUCAEYHSHOWSL-RDTXWAMCSA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN([C@H](F)Oc2ccc(Cl)nc2)CCO3)cs1 ZINC001164784060 721444095 /nfs/dbraw/zinc/44/40/95/721444095.db2.gz OXQYFBPGVVUXIN-RYGJVYDSSA-N 0 0 441.956 4.220 20 0 IIADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2nccnc2Cl)CCO3)cs1 ZINC001164787276 721445076 /nfs/dbraw/zinc/44/50/76/721445076.db2.gz WQNAQMRXVCDWKF-KDOFPFPSSA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4ccc(F)c(Cl)n4)C3)C2=O)cs1 ZINC001164884272 721460815 /nfs/dbraw/zinc/46/08/15/721460815.db2.gz ADJFDWZGAWHPLR-SFHVURJKSA-N 0 0 444.910 4.203 20 0 IIADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4cc(C)cc(Cl)n4)C3)C2=O)cs1 ZINC001164884885 721461588 /nfs/dbraw/zinc/46/15/88/721461588.db2.gz BWWNXCIPEIJRNI-IBGZPJMESA-N 0 0 440.947 4.372 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001164888170 721469747 /nfs/dbraw/zinc/46/97/47/721469747.db2.gz DUDKMEVEYYCTFM-MRXNPFEDSA-N 0 0 433.890 4.033 20 0 IIADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC2)C1=O ZINC001164894028 721471719 /nfs/dbraw/zinc/47/17/19/721471719.db2.gz MOUQWPKQEFVLFU-UHFFFAOYSA-N 0 0 441.309 4.130 20 0 IIADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc(Cl)ncc1Cl ZINC001164892686 721474543 /nfs/dbraw/zinc/47/45/43/721474543.db2.gz HLBVHKRBBVASHS-LJQANCHMSA-N 0 0 441.309 4.490 20 0 IIADRN Fc1cccnc1OC[C@@]12COC[C@@H]1CN(C(F)(F)c1ccc3c(ccnc3Cl)c1)C2 ZINC001164792735 721488290 /nfs/dbraw/zinc/48/82/90/721488290.db2.gz LELKJLGFIJCKGK-HRAATJIYSA-N 0 0 449.860 4.499 20 0 IIADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3cnc(Cl)cc3N)CC2)c2ccc(C)cc21 ZINC001164896416 721492232 /nfs/dbraw/zinc/49/22/32/721492232.db2.gz BFPSYAFXXWYKCP-GOSISDBHSA-N 0 0 449.933 4.083 20 0 IIADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@H](OCC4CC4)[C@@H]3C2)c(Cl)n1 ZINC001164901898 721498843 /nfs/dbraw/zinc/49/88/43/721498843.db2.gz XGOZYMONKLIUKX-DAYGRLMNSA-N 0 0 428.907 4.488 20 0 IIADRN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@H](OCC4CC4)[C@H]3C2)cnc1Cl ZINC001164899237 721499757 /nfs/dbraw/zinc/49/97/57/721499757.db2.gz XSKRKJOTMJIMMH-XIRDDKMYSA-N 0 0 448.963 4.105 20 0 IIADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164895746 721500161 /nfs/dbraw/zinc/50/01/61/721500161.db2.gz FFFPDELOMGUAKK-CQSZACIVSA-N 0 0 436.330 4.081 20 0 IIADRN CSc1ccc(C(F)(F)N2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)nc1Cl ZINC001164898262 721501180 /nfs/dbraw/zinc/50/11/80/721501180.db2.gz PZYNOXZPWPTNMU-MRXNPFEDSA-N 0 0 447.979 4.150 20 0 IIADRN O=C1CCC2(CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)CC2)N1Cc1ccncc1 ZINC001164897937 721507145 /nfs/dbraw/zinc/50/71/45/721507145.db2.gz GVVRDDTZQUUKAO-UHFFFAOYSA-N 0 0 446.929 4.412 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164808373 721529983 /nfs/dbraw/zinc/52/99/83/721529983.db2.gz RRRKXARQWDUUBA-LMMKCTJWSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)cc3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164800643 721533558 /nfs/dbraw/zinc/53/35/58/721533558.db2.gz CVEKKJIKFPGTGW-CQOQZXRMSA-N 0 0 435.959 4.060 20 0 IIADRN CN(C)C(=O)[C@@H]1CC12CCN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164910394 721569461 /nfs/dbraw/zinc/56/94/61/721569461.db2.gz WQWKDGOGLKGZSF-LBPRGKRZSA-N 0 0 445.297 4.056 20 0 IIADRN Cc1cccc(-c2cc(C(F)(F)N3CCC4(C[C@H]4C(=O)N(C)C)CC3)c(Cl)nn2)c1 ZINC001164900769 721571638 /nfs/dbraw/zinc/57/16/38/721571638.db2.gz AEBDQBOJMXFNKV-KRWDZBQOSA-N 0 0 434.918 4.345 20 0 IIADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc(Cl)nc1 ZINC001164905043 721577178 /nfs/dbraw/zinc/57/71/78/721577178.db2.gz XNHZAPBEXZARMP-SFHVURJKSA-N 0 0 440.922 4.043 20 0 IIADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cccnc1Cl ZINC001164901133 721577289 /nfs/dbraw/zinc/57/72/89/721577289.db2.gz CEEDJUOJNAZQAJ-SFHVURJKSA-N 0 0 440.922 4.043 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc(Cl)c3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164804358 721578164 /nfs/dbraw/zinc/57/81/64/721578164.db2.gz JQMPXDXCPQBPPQ-WMTXJRDZSA-N 0 0 435.959 4.060 20 0 IIADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001164902858 721579714 /nfs/dbraw/zinc/57/97/14/721579714.db2.gz JOWUWWVSDGETMV-OAQYLSRUSA-N 0 0 445.901 4.099 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cccc(F)c32)[C@@H]2CCCO[C@@H]12 ZINC001164810883 721591664 /nfs/dbraw/zinc/59/16/64/721591664.db2.gz WONNLJWQLPCTLS-WOIUINJBSA-N 0 0 426.923 4.291 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc3c2CCC3)[C@@H]2CCCO[C@@H]12 ZINC001164800849 721591824 /nfs/dbraw/zinc/59/18/24/721591824.db2.gz CVVIPGSOGYOQEW-KCZVDYSFSA-N 0 0 448.945 4.032 20 0 IIADRN Fc1ccc2nc(C(F)(F)N3CCn4cnc(COCC5CC5)c4C3)nc(Cl)c2c1 ZINC001164798961 721599870 /nfs/dbraw/zinc/59/98/70/721599870.db2.gz HQQGNIIUFBSZIQ-UHFFFAOYSA-N 0 0 437.853 4.111 20 0 IIADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)C3)c1 ZINC001164804258 721601316 /nfs/dbraw/zinc/60/13/16/721601316.db2.gz XWAUQSLTQXDBJQ-KXBFYZLASA-N 0 0 440.947 4.490 20 0 IIADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)c2nc(Cl)nc4[nH]cnc42)C3)c1 ZINC001164804043 721601474 /nfs/dbraw/zinc/60/14/74/721601474.db2.gz WKAASFZKCPICDR-YWZLYKJASA-N 0 0 448.905 4.030 20 0 IIADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)COc2ccc(Cl)nn2)C3)c1 ZINC001164799757 721601509 /nfs/dbraw/zinc/60/15/09/721601509.db2.gz KCWKMDPSYQIYGQ-FXAWDEMLSA-N 0 0 438.906 4.124 20 0 IIADRN CC(C)N(C)Cc1nnc2n1CCCN(c1ccc(-c3cccc4ccccc43)nn1)C2 ZINC001165010460 721717300 /nfs/dbraw/zinc/71/73/00/721717300.db2.gz HNMKNNRHEFZVAF-UHFFFAOYSA-N 0 0 427.556 4.139 20 0 IIADRN Cc1ccccc1Oc1nc(Cl)ncc1N1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001165011836 721720778 /nfs/dbraw/zinc/72/07/78/721720778.db2.gz WJNBRDSBICDZFD-UHFFFAOYSA-N 0 0 441.967 4.073 20 0 IIADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(CCCN3C(=O)C(C)C)C2)n1 ZINC001165008247 721726730 /nfs/dbraw/zinc/72/67/30/721726730.db2.gz LIHVANOEIJQAAM-XMMPIXPASA-N 0 0 443.661 4.377 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)cc1N)C2 ZINC001164910850 721755790 /nfs/dbraw/zinc/75/57/90/721755790.db2.gz SSLZGAFUDAYKCY-UHFFFAOYSA-N 0 0 433.890 4.045 20 0 IIADRN CSc1ccc(C(F)(F)N2CCC[C@H]3CN(C(=O)c4ccco4)C[C@@H]32)nc1Cl ZINC001165015474 721770669 /nfs/dbraw/zinc/77/06/69/721770669.db2.gz LJEZPGZYWXVSPX-STQMWFEESA-N 0 0 427.904 4.336 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1ccc2cnc(Cl)nc2c1 ZINC001165018705 721771251 /nfs/dbraw/zinc/77/12/51/721771251.db2.gz UUJGETOSTOVYET-YOEHRIQHSA-N 0 0 432.858 4.162 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)[C@H]2C1 ZINC001165016753 721772098 /nfs/dbraw/zinc/77/20/98/721772098.db2.gz QBOVNZUNZVJUSH-CJNGLKHVSA-N 0 0 448.857 4.269 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3cccc4c(Cl)ncnc43)[C@@H]2C1 ZINC001165018995 721772150 /nfs/dbraw/zinc/77/21/50/721772150.db2.gz VIWSRYUNIBWJMZ-CZUORRHYSA-N 0 0 432.858 4.162 20 0 IIADRN O=C1[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)C[C@@H]2CN1c1cccnc1 ZINC001165023646 721794169 /nfs/dbraw/zinc/79/41/69/721794169.db2.gz QEBPUTPOMHODJQ-PBHICJAKSA-N 0 0 432.902 4.043 20 0 IIADRN Cc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)cc(Cl)n1 ZINC001164914690 721801958 /nfs/dbraw/zinc/80/19/58/721801958.db2.gz QEXXFGKCPZKVLT-KRWDZBQOSA-N 0 0 429.849 4.120 20 0 IIADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164915857 721804974 /nfs/dbraw/zinc/80/49/74/721804974.db2.gz LSXJXWNUIHEOQW-OXQOHEQNSA-N 0 0 432.858 4.040 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164918236 721809713 /nfs/dbraw/zinc/80/97/13/721809713.db2.gz PTDJVVCFFKFEST-PVXIVEMSSA-N 0 0 433.883 4.076 20 0 IIADRN Cc1ccc(C(F)(F)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)nc1Cl ZINC001164918652 721810068 /nfs/dbraw/zinc/81/00/68/721810068.db2.gz SLRNWQRXGMPSNN-JKIFEVAISA-N 0 0 429.920 4.245 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164915410 721810359 /nfs/dbraw/zinc/81/03/59/721810359.db2.gz AJGHMLKNFKSFJX-CKEIUWERSA-N 0 0 429.920 4.245 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164915416 721810493 /nfs/dbraw/zinc/81/04/93/721810493.db2.gz AJGHMLKNFKSFJX-JKIFEVAISA-N 0 0 429.920 4.245 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(c2cnc(Cl)nc2Oc2ccccc2F)CC1 ZINC001164919426 721821024 /nfs/dbraw/zinc/82/10/24/721821024.db2.gz QIRIIRASTMYWKJ-UHFFFAOYSA-N 0 0 442.926 4.007 20 0 IIADRN CSc1ccc(C(F)(F)N2C[C@@H]3COC[C@@]3(COCc3ccccn3)C2)nc1Cl ZINC001164927716 721839215 /nfs/dbraw/zinc/83/92/15/721839215.db2.gz VKIQNLOUGBVLLB-AUUYWEPGSA-N 0 0 441.931 4.066 20 0 IIADRN FC(F)(c1cc2ccccc2nc1Cl)N1C[C@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164925392 721839638 /nfs/dbraw/zinc/83/96/38/721839638.db2.gz OTKJKFRTDQSBTC-JTSKRJEESA-N 0 0 445.897 4.498 20 0 IIADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3C)c2ccccc21 ZINC001164932119 721892409 /nfs/dbraw/zinc/89/24/09/721892409.db2.gz GULRMRCXCIDJCP-QZTJIDSGSA-N 0 0 445.901 4.033 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164928198 721898623 /nfs/dbraw/zinc/89/86/23/721898623.db2.gz MNEGCZXRZHQCCU-NRFANRHFSA-N 0 0 444.869 4.295 20 0 IIADRN Cn1ccc(CN2CCOCC23CCN(c2cc(-c4ccccc4)cc(Cl)n2)CC3)n1 ZINC001164933783 721905095 /nfs/dbraw/zinc/90/50/95/721905095.db2.gz QSSIJURVXFIAFD-UHFFFAOYSA-N 0 0 437.975 4.007 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)C1(c3ccc(Cl)nc3)CC1)C2 ZINC001164938484 721911257 /nfs/dbraw/zinc/91/12/57/721911257.db2.gz BIWRGXASUGKNNS-KDOFPFPSSA-N 0 0 435.877 4.345 20 0 IIADRN O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H](c2ccncc2)C1 ZINC001165043598 721927027 /nfs/dbraw/zinc/92/70/27/721927027.db2.gz MVLDIMVXSIQGGG-QGZVFWFLSA-N 0 0 444.869 4.421 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(SCc4ccccc4)ccn3)C[C@H]21 ZINC001164942689 721958668 /nfs/dbraw/zinc/95/86/68/721958668.db2.gz FOEQUQZCAXVSHR-PKTZIBPZSA-N 0 0 436.581 4.068 20 0 IIADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3nc(Cl)ccc3CN3CCCC3)C[C@H]12 ZINC001164948331 721966600 /nfs/dbraw/zinc/96/66/00/721966600.db2.gz TZLFQSTVIOTERJ-DHLKQENFSA-N 0 0 439.003 4.100 20 0 IIADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C[C@H]21 ZINC001164954634 722004493 /nfs/dbraw/zinc/00/44/93/722004493.db2.gz ZPBYBIHEUGFUHR-OLZOCXBDSA-N 0 0 433.915 4.140 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1ccc(Cl)nc1Cl ZINC001164962705 722027907 /nfs/dbraw/zinc/02/79/07/722027907.db2.gz REXWXSYPFLLNFN-UMVBOHGHSA-N 0 0 434.245 4.283 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1C[C@@H]2CC[C@H](C1)C2C(=O)NCCc1cccs1 ZINC001164959370 722038745 /nfs/dbraw/zinc/03/87/45/722038745.db2.gz GQNMKZNJMGMLGS-MVVMVCHASA-N 0 0 439.959 4.471 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C[C@H]21 ZINC001164961435 722048457 /nfs/dbraw/zinc/04/84/57/722048457.db2.gz ZMYJATCRUXFHHE-CRAIPNDOSA-N 0 0 444.869 4.286 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@@H]21 ZINC001164959219 722049477 /nfs/dbraw/zinc/04/94/77/722049477.db2.gz QBWHWVORIYBQIX-CJNGLKHVSA-N 0 0 433.842 4.484 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@H]21 ZINC001164959221 722049483 /nfs/dbraw/zinc/04/94/83/722049483.db2.gz QBWHWVORIYBQIX-XJKSGUPXSA-N 0 0 433.842 4.484 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)Oc2cccnc2Cl)[C@H]3C)c1 ZINC001164966439 722062853 /nfs/dbraw/zinc/06/28/53/722062853.db2.gz SYJYQTXMKLGSFL-HNNXBMFYSA-N 0 0 449.889 4.358 20 0 IIADRN CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164965768 722066348 /nfs/dbraw/zinc/06/63/48/722066348.db2.gz MDTMFMREXXAXSH-UHFFFAOYSA-N 0 0 449.354 4.381 20 0 IIADRN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164966997 722076426 /nfs/dbraw/zinc/07/64/26/722076426.db2.gz IQPVPYYNXNZZHH-OYRHEFFESA-N 0 0 449.929 4.158 20 0 IIADRN CSc1ccc(C(F)(F)N2CCC3(CC2)Cc2ccccc2CNC3=O)nc1Cl ZINC001164967408 722078277 /nfs/dbraw/zinc/07/82/77/722078277.db2.gz FCEMFNSLCCEVBO-UHFFFAOYSA-N 0 0 437.943 4.461 20 0 IIADRN FC(F)(N1CCc2onc(COc3ccccn3)c2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164970636 722083184 /nfs/dbraw/zinc/08/31/84/722083184.db2.gz ZNOFMTLKHCUBTE-UHFFFAOYSA-N 0 0 432.858 4.380 20 0 IIADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C[C@H]2C1 ZINC001164970746 722085940 /nfs/dbraw/zinc/08/59/40/722085940.db2.gz GPUUJSXOCXHMBD-VXGBXAGGSA-N 0 0 437.840 4.430 20 0 IIADRN Cc1nc(C(F)(F)N2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)nc(Cl)c1C ZINC001164971796 722091621 /nfs/dbraw/zinc/09/16/21/722091621.db2.gz DBLAYZHHQLQHAK-MRXNPFEDSA-N 0 0 426.939 4.205 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)C[C@@H]21 ZINC001164974467 722096818 /nfs/dbraw/zinc/09/68/18/722096818.db2.gz DJHUFXSQAYLSBT-RLFYNMQTSA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc43)C[C@@H]21 ZINC001164985867 722097460 /nfs/dbraw/zinc/09/74/60/722097460.db2.gz XGLDNFJMDVPZJO-JTDSTZFVSA-N 0 0 445.901 4.307 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)Sc3ccc(Cl)nc3)C[C@@H]21 ZINC001164976438 722098351 /nfs/dbraw/zinc/09/83/51/722098351.db2.gz DCIHZFGDMJNEBR-XYJFISCASA-N 0 0 438.931 4.419 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)C[C@H]21 ZINC001164980707 722098509 /nfs/dbraw/zinc/09/85/09/722098509.db2.gz JYLNKEVJBOOOEQ-CBGDNZLLSA-N 0 0 446.929 4.315 20 0 IIADRN COc1nc(Cl)ncc1C(F)(F)N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164980227 722165392 /nfs/dbraw/zinc/16/53/92/722165392.db2.gz XHNUHCJXEOIUDE-KXBFYZLASA-N 0 0 431.911 4.018 20 0 IIADRN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164976020 722165687 /nfs/dbraw/zinc/16/56/87/722165687.db2.gz JBOUNYXYEPPNPX-YWZLYKJASA-N 0 0 440.922 4.491 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5cccc(C)c54)CC[C@@H]32)cs1 ZINC001164985302 722184286 /nfs/dbraw/zinc/18/42/86/722184286.db2.gz BDNZOCAQMWKBSH-RBUKOAKNSA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(C5CCCCC5)nc(C)n4)CC[C@H]32)cs1 ZINC001164987640 722184803 /nfs/dbraw/zinc/18/48/03/722184803.db2.gz LCZQREPXCZGAGM-DHIUTWEWSA-N 0 0 441.645 4.467 20 0 IIADRN Cc1c[nH]c2nc(Cl)cc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@@H]4CC3)c12 ZINC001164992335 722184862 /nfs/dbraw/zinc/18/48/62/722184862.db2.gz VVWYETRITAFRHH-SJLPKXTDSA-N 0 0 431.993 4.159 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C(F)F)nc5ccccc54)CC[C@H]32)cs1 ZINC001164986446 722185548 /nfs/dbraw/zinc/18/55/48/722185548.db2.gz FLTROTFYYVCKGS-RTBURBONSA-N 0 0 445.539 4.202 20 0 IIADRN CN(C)c1cc(C(F)(F)N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc(Cl)n1 ZINC001164998869 722211980 /nfs/dbraw/zinc/21/19/80/722211980.db2.gz YKNPHSWQVZDFMD-FQEVSTJZSA-N 0 0 439.913 4.125 20 0 IIADRN COc1cc(C(F)(F)N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc(Cl)n1 ZINC001164998476 722213726 /nfs/dbraw/zinc/21/37/26/722213726.db2.gz VURDHSRKDWKXPM-LJQANCHMSA-N 0 0 426.870 4.068 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2ccc3nc(Cl)cnc3c2)n1 ZINC001165000451 722226572 /nfs/dbraw/zinc/22/65/72/722226572.db2.gz RWZFOZHFXZMRCY-KRWDZBQOSA-N 0 0 448.905 4.042 20 0 IIADRN C[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009311 722273283 /nfs/dbraw/zinc/27/32/83/722273283.db2.gz ORVGZABWBSOCKN-LIVBEALHSA-N 0 0 436.890 4.078 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(Br)cc1Cl ZINC000426718858 1126081772 /nfs/dbraw/zinc/08/17/72/1126081772.db2.gz CHDQMUHQGRXLFV-MRXNPFEDSA-N 0 0 440.721 4.049 20 0 IIADRN O=C([O-])[C@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000426738792 1126085421 /nfs/dbraw/zinc/08/54/21/1126085421.db2.gz YXOHBVBWKSAVMO-IBGZPJMESA-N 0 0 442.972 4.244 20 0 IIADRN CCCOc1c(Br)cc(C[NH2+][C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1OC ZINC000426730115 1126084036 /nfs/dbraw/zinc/08/40/36/1126084036.db2.gz JNVQCIFYBSPTDS-QGZVFWFLSA-N 0 0 440.309 4.171 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000426732557 1126084283 /nfs/dbraw/zinc/08/42/83/1126084283.db2.gz UJYXHFWWGHMMAD-IBGZPJMESA-N 0 0 437.849 4.389 20 0 IIADRN O=C([O-])[C@@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000426736330 1126084949 /nfs/dbraw/zinc/08/49/49/1126084949.db2.gz XGKLZFGHBPARTG-GOSISDBHSA-N 0 0 444.940 4.410 20 0 IIADRN CCOc1cc(C[NH2+][C@H](Cc2cccc(Cl)c2)C(=O)[O-])cc(Br)c1OC ZINC000426738264 1126085201 /nfs/dbraw/zinc/08/52/01/1126085201.db2.gz UROXIRGDYWQUML-MRXNPFEDSA-N 0 0 442.737 4.295 20 0 IIADRN COc1ccc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])cc1Br ZINC000426761656 1126088744 /nfs/dbraw/zinc/08/87/44/1126088744.db2.gz CHOFCODQCZLSOC-HNNXBMFYSA-N 0 0 443.135 4.006 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000426761098 1126088867 /nfs/dbraw/zinc/08/88/67/1126088867.db2.gz XOJFSFOGRJDDFP-LJQANCHMSA-N 0 0 439.313 4.106 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000426764133 1126089123 /nfs/dbraw/zinc/08/91/23/1126089123.db2.gz VSZKWVKQOWQAEZ-SFHVURJKSA-N 0 0 440.297 4.371 20 0 IIADRN Cc1nc(COc2ccc(C[NH2+][C@@H](Cc3c[nH]c4cc(F)ccc34)C(=O)[O-])cc2)cs1 ZINC000426769076 1126089430 /nfs/dbraw/zinc/08/94/30/1126089430.db2.gz FUUDWTAJSALTOG-QFIPXVFZSA-N 0 0 439.512 4.436 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000426777866 1126090051 /nfs/dbraw/zinc/09/00/51/1126090051.db2.gz RHFIRQBHJWLMCN-OAQYLSRUSA-N 0 0 439.895 4.433 20 0 IIADRN COc1cc(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])ccc1SC ZINC000426800646 1126091215 /nfs/dbraw/zinc/09/12/15/1126091215.db2.gz OOARVRVRLXCPMW-QGZVFWFLSA-N 0 0 449.370 4.446 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000426804454 1126091307 /nfs/dbraw/zinc/09/13/07/1126091307.db2.gz UPNIJODJGYGLEJ-IBGZPJMESA-N 0 0 440.297 4.371 20 0 IIADRN CC(C)(C)c1nc(C[NH2+][C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])cs1 ZINC000426810236 1126091682 /nfs/dbraw/zinc/09/16/82/1126091682.db2.gz YJBGWPDVVBKKGQ-INIZCTEOSA-N 0 0 436.375 4.470 20 0 IIADRN COc1cccc(C[C@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)C(=O)[O-])c1 ZINC000426810375 1126092004 /nfs/dbraw/zinc/09/20/04/1126092004.db2.gz YYIFTZNMPBRTFT-INIZCTEOSA-N 0 0 432.236 4.262 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1cc(Cl)ccc1Br ZINC000426822361 1126092824 /nfs/dbraw/zinc/09/28/24/1126092824.db2.gz BMXRQRWYUAJVGF-OAHLLOKOSA-N 0 0 434.664 4.489 20 0 IIADRN Cc1cc(C)cc(C[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C(=O)[O-])c1 ZINC000559980371 1126097347 /nfs/dbraw/zinc/09/73/47/1126097347.db2.gz LIVHVEAXMOQLAQ-FQEVSTJZSA-N 0 0 428.330 4.037 20 0 IIADRN O=C([O-])[C@H](Cn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC001321114684 1126171508 /nfs/dbraw/zinc/17/15/08/1126171508.db2.gz ZYXOMFLPUDURMT-HNNXBMFYSA-N 0 0 440.750 4.271 20 0 IIADRN Cc1ccc(C)c(NC(=O)Cc2nc(CN[C@](C)(CO)Cc3ccccc3F)cs2)c1 ZINC001460855702 1126192196 /nfs/dbraw/zinc/19/21/96/1126192196.db2.gz CVTMUWLSAHLROB-DEOSSOPVSA-N 0 0 441.572 4.164 20 0 IIADRN O[C@H](c1ccc(F)cc1)C1CCN(Cc2ccc(I)cc2)CC1 ZINC000013473850 562988509 /nfs/dbraw/zinc/98/85/09/562988509.db2.gz CRRXNSJNCQZPSK-LJQANCHMSA-N 0 0 425.285 4.376 20 0 IIADRN CC(=O)N1CCc2cc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)ccc21 ZINC000015325009 569508711 /nfs/dbraw/zinc/50/87/11/569508711.db2.gz HZYRISHWSHDGJI-UHFFFAOYSA-N 0 0 434.561 4.029 20 0 IIADRN Cc1sc2nc(CN3CCCCC3)nc(N3C[C@H]4c5ccccc5NC(=O)[C@H]4C3)c2c1C ZINC001164401472 718858455 /nfs/dbraw/zinc/85/84/55/718858455.db2.gz FDPOKPRTZWZNKC-OALUTQOASA-N 0 0 447.608 4.466 20 0 IIADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164433463 718982053 /nfs/dbraw/zinc/98/20/53/718982053.db2.gz LMYCRDZBGCSLFC-VQIMIIECSA-N 0 0 426.847 4.088 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4c5c(nnc4Cl)CCC5)C[C@@H]3O2)n1 ZINC001164635744 719262515 /nfs/dbraw/zinc/26/25/15/719262515.db2.gz IEKDXADVZTXMNQ-BVGQSLNGSA-N 0 0 449.933 4.434 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4c5c(nnc4Cl)CCC5)C[C@@H]3O2)n1 ZINC001164635748 719262648 /nfs/dbraw/zinc/26/26/48/719262648.db2.gz IEKDXADVZTXMNQ-KKXDTOCCSA-N 0 0 449.933 4.434 20 0 IIADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164647211 719292020 /nfs/dbraw/zinc/29/20/20/719292020.db2.gz RBEQCWXVMGLHSD-UXLLHSPISA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645485 719292473 /nfs/dbraw/zinc/29/24/73/719292473.db2.gz JFRNLULZLBEJAA-ZVDOUQERSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645484 719292587 /nfs/dbraw/zinc/29/25/87/719292587.db2.gz JFRNLULZLBEJAA-ZJOUEHCJSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164646487 719293321 /nfs/dbraw/zinc/29/33/21/719293321.db2.gz OAVJIPVSZDCHMS-LNLFQRSKSA-N 0 0 434.874 4.109 20 0 IIADRN FC(F)(N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21)C1(c2ccc(Cl)nc2)CC1 ZINC001164656124 719295691 /nfs/dbraw/zinc/29/56/91/719295691.db2.gz WFAWZXQCHYKVRW-NSHGMRRFSA-N 0 0 435.902 4.203 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)C[C@H]2CCCO[C@@H]21 ZINC001164646646 719304148 /nfs/dbraw/zinc/30/41/48/719304148.db2.gz BIEYTJLXWPGUPA-MDYRTPRTSA-N 0 0 435.902 4.039 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)C[C@H]2CCCO[C@H]21 ZINC001164647300 719304304 /nfs/dbraw/zinc/30/43/04/719304304.db2.gz DKMMBNODZDDHDL-XFQXTVEOSA-N 0 0 435.902 4.039 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1nc(-c3cccnc3)nc3ccccc31)CC2 ZINC001164652079 719315221 /nfs/dbraw/zinc/31/52/21/719315221.db2.gz NEIZFMUHMYDELF-UHFFFAOYSA-N 0 0 427.556 4.094 20 0 IIADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)C[C@@H]2CCCO[C@@H]12 ZINC001164654279 719325397 /nfs/dbraw/zinc/32/53/97/719325397.db2.gz JVIJPFITIGMGSX-YRISNDGFSA-N 0 0 449.929 4.333 20 0 IIADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCO[C@@H]2[C@@H](OCC3CCCC3)CC[C@@H]21 ZINC001164661679 719343823 /nfs/dbraw/zinc/34/38/23/719343823.db2.gz MLXGRWZXDIBNEC-LNLFQRSKSA-N 0 0 444.906 4.010 20 0 IIADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@H]21 ZINC001164662601 719344045 /nfs/dbraw/zinc/34/40/45/719344045.db2.gz QDBXBJCDLGYWPK-QRVBRYPASA-N 0 0 427.923 4.495 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(OC)cc1Cl)CC2 ZINC001164658198 719351711 /nfs/dbraw/zinc/35/17/11/719351711.db2.gz FMMZVKVWQRLPRI-UHFFFAOYSA-N 0 0 437.975 4.438 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(C)(C)C)ncn1)CC2 ZINC001164660634 719353908 /nfs/dbraw/zinc/35/39/08/719353908.db2.gz WGVDPPUBNMQUCP-UHFFFAOYSA-N 0 0 430.600 4.469 20 0 IIADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164665651 719359260 /nfs/dbraw/zinc/35/92/60/719359260.db2.gz XWXCABULWGKFJR-UHFFFAOYSA-N 0 0 449.354 4.477 20 0 IIADRN CCn1nnc2c1[C@H](COC)CN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001164664829 719362090 /nfs/dbraw/zinc/36/20/90/719362090.db2.gz SPRGPIRDBPXONS-AWEZNQCLSA-N 0 0 449.889 4.188 20 0 IIADRN COC(=O)c1ccc2ccnc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)c2c1 ZINC001164672318 719504851 /nfs/dbraw/zinc/50/48/51/719504851.db2.gz KFQPANITJMJMIH-UHFFFAOYSA-N 0 0 449.526 4.032 20 0 IIADRN CCOc1ccc2ncnc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)c2c1 ZINC001164670660 719511419 /nfs/dbraw/zinc/51/14/19/719511419.db2.gz DVZYFOXULPIODM-UHFFFAOYSA-N 0 0 436.531 4.039 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2cc(-c4nc(C5CC5)no4)ccn2)CC3)cc1 ZINC001164678458 719528338 /nfs/dbraw/zinc/52/83/38/719528338.db2.gz LFFFXBKNMRNEOT-UHFFFAOYSA-N 0 0 449.530 4.020 20 0 IIADRN O=C([C@@H]1C[C@H]2OCC[C@H]2N(C(F)(F)c2ccc3ccc(Cl)nc3c2)C1)N1CCCC1 ZINC001164678775 719537727 /nfs/dbraw/zinc/53/77/27/719537727.db2.gz NLKGUJVRDMWXCD-ATZDWAIDSA-N 0 0 435.902 4.039 20 0 IIADRN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(C(F)(F)c2cccc3ccnc(Cl)c32)C1)N1CCCC1 ZINC001164679006 719539891 /nfs/dbraw/zinc/53/98/91/719539891.db2.gz QCWZROCTLSXCIB-NJAFHUGGSA-N 0 0 435.902 4.039 20 0 IIADRN O=C([C@@H]1C[C@H]2OCC[C@H]2N(C(F)(F)c2cccc3c(Cl)nccc32)C1)N1CCCC1 ZINC001164679259 719540875 /nfs/dbraw/zinc/54/08/75/719540875.db2.gz WLBTUWVXMBNZBQ-NIKGAXFTSA-N 0 0 435.902 4.039 20 0 IIADRN O=C([C@@H]1C[C@H]2OCC[C@H]2N(C(F)(F)c2ccc3c(ccnc3Cl)c2)C1)N1CCCC1 ZINC001164677868 719544069 /nfs/dbraw/zinc/54/40/69/719544069.db2.gz HRRYOYOODAQRMP-ATZDWAIDSA-N 0 0 435.902 4.039 20 0 IIADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2cccnc2Cl)CC3)cs1 ZINC001164686303 719592277 /nfs/dbraw/zinc/59/22/77/719592277.db2.gz OSXSTYVYVZCHNO-UHFFFAOYSA-N 0 0 426.920 4.206 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)C[C@H]2COc1cccnc1 ZINC001164688783 719598480 /nfs/dbraw/zinc/59/84/80/719598480.db2.gz ZVMWNOLFSMHSPS-AWEZNQCLSA-N 0 0 444.873 4.073 20 0 IIADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2ccc(Cl)nc2C(F)(F)F)N1Cc1cccnc1 ZINC001164692066 719774584 /nfs/dbraw/zinc/77/45/84/719774584.db2.gz RKDDHOOZPWGCBU-KBPBESRZSA-N 0 0 446.807 4.074 20 0 IIADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)N1Cc1cccnc1 ZINC001164690373 719777337 /nfs/dbraw/zinc/77/73/37/719777337.db2.gz BAPDVVXKQXKRLF-QZTJIDSGSA-N 0 0 444.869 4.315 20 0 IIADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc3c2CCCCC3)N1Cc1cccnc1 ZINC001164691018 719778497 /nfs/dbraw/zinc/77/84/97/719778497.db2.gz KCGMFZDSBISTLC-UXHICEINSA-N 0 0 446.929 4.324 20 0 IIADRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1cccc3ccnc(Cl)c31)CC2 ZINC001164695161 719786486 /nfs/dbraw/zinc/78/64/86/719786486.db2.gz JPPPQBHZOCNRQF-UHFFFAOYSA-N 0 0 434.874 4.464 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)c1 ZINC001164698889 719826268 /nfs/dbraw/zinc/82/62/68/719826268.db2.gz VZDPZPSSYITSGU-CYBMUJFWSA-N 0 0 428.936 4.278 20 0 IIADRN O=C1COC2(CCN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)CC2)CN1c1ccccc1 ZINC001164693419 719836375 /nfs/dbraw/zinc/83/63/75/719836375.db2.gz AUXSRDODMJGSFR-UHFFFAOYSA-N 0 0 446.885 4.164 20 0 IIADRN O=C1COC2(CCN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC2)CN1c1ccccc1 ZINC001164702610 719836945 /nfs/dbraw/zinc/83/69/45/719836945.db2.gz OFBZKAZJTJIKPN-UHFFFAOYSA-N 0 0 447.913 4.171 20 0 IIADRN Cc1noc([C@]23COC[C@H]2CN(C(F)(F)c2cnc(Cl)c(C4CCCCC4)c2)C3)n1 ZINC001164810894 720064037 /nfs/dbraw/zinc/06/40/37/720064037.db2.gz MFNXZWQCTBLVIL-OXQOHEQNSA-N 0 0 438.906 4.423 20 0 IIADRN CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cccc2ccnc(Cl)c21 ZINC001164723250 720315384 /nfs/dbraw/zinc/31/53/84/720315384.db2.gz MYIQLGXEXIQHHY-GOSISDBHSA-N 0 0 447.917 4.450 20 0 IIADRN Cc1nc(CO[C@@H]2CN(c3nc(Cl)ccc3CN3CCCC3)[C@H]3CCCO[C@H]23)cs1 ZINC001164821744 720389633 /nfs/dbraw/zinc/38/96/33/720389633.db2.gz ILTHLGQBMDWOGA-ZVDOUQERSA-N 0 0 449.020 4.049 20 0 IIADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)O2)n1 ZINC001164830543 720404722 /nfs/dbraw/zinc/40/47/22/720404722.db2.gz SBJNLJKNBPAVKD-KKUMJFAQSA-N 0 0 439.825 4.158 20 0 IIADRN 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ZINC001164731588 720496194 /nfs/dbraw/zinc/49/61/94/720496194.db2.gz WPIRSQDRSGJYMX-GAJHUEQPSA-N 0 0 433.955 4.329 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)CC[C@@H]21)N1CCCCC1 ZINC001164835141 720499786 /nfs/dbraw/zinc/49/97/86/720499786.db2.gz XELYMYPRXQLZKE-DZKIICNBSA-N 0 0 448.341 4.177 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)CC[C@H]21)N1CCCCC1 ZINC001164835143 720500645 /nfs/dbraw/zinc/50/06/45/720500645.db2.gz XELYMYPRXQLZKE-LZWOXQAQSA-N 0 0 448.341 4.177 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)Sc3ccc(Cl)nc3)CC[C@H]21)N1CCCCC1 ZINC001164833365 720503421 /nfs/dbraw/zinc/50/34/21/720503421.db2.gz DJBVWSHDBNMWFK-UAGQMJEPSA-N 0 0 445.963 4.117 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164736400 720538864 /nfs/dbraw/zinc/53/88/64/720538864.db2.gz XOZDYEJWVPXFNT-IFXJQAMLSA-N 0 0 427.854 4.269 20 0 IIADRN CC[C@H]1N(c2nc(CN(CC)CC)nc3sc(C)c(C)c32)CCC[C@@]12CCC(=O)N2 ZINC001164846834 720755356 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MMUQNXPRXRLACT-OAHLLOKOSA-N 0 0 433.890 4.088 20 0 IIADRN Fc1cc(C(F)(F)N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)cnc1Cl ZINC001164766872 721028363 /nfs/dbraw/zinc/02/83/63/721028363.db2.gz RRVKVVWDLQYUJV-APWZRJJASA-N 0 0 427.854 4.159 20 0 IIADRN Fc1cnc(Cl)cc1C(F)(F)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164762315 721028741 /nfs/dbraw/zinc/02/87/41/721028741.db2.gz HPGURGSIZJSWMH-BEFAXECRSA-N 0 0 427.854 4.159 20 0 IIADRN CCn1nnc2c1CCN(C(F)(F)Oc1ccc(Cl)nc1)[C@H]2COCc1ccccc1 ZINC001164770933 721048115 /nfs/dbraw/zinc/04/81/15/721048115.db2.gz LKEROHGFLNWAHP-SFHVURJKSA-N 0 0 449.889 4.092 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164877247 721247158 /nfs/dbraw/zinc/24/71/58/721247158.db2.gz QJMZMDUWZJNUEY-UXPWSPDFSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1ccnc(Cl)c1Cl)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164765816 721272422 /nfs/dbraw/zinc/27/24/22/721272422.db2.gz LDSINIRZAUDLPY-ZDUSSCGKSA-N 0 0 440.281 4.240 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2CN(C(=O)c3ccsc3)CCO[C@H]2C1 ZINC001164874866 721297379 /nfs/dbraw/zinc/29/73/79/721297379.db2.gz DIPIMSSLVPGSGO-YOEHRIQHSA-N 0 0 441.931 4.017 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@H]3C2)c1 ZINC001164874957 721297746 /nfs/dbraw/zinc/29/77/46/721297746.db2.gz FOKGMPJFYMLKQW-ZBFHGGJFSA-N 0 0 441.931 4.017 20 0 IIADRN O=C1CCC2(CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)CC2)N1CC1CC1 ZINC001164774527 721306316 /nfs/dbraw/zinc/30/63/16/721306316.db2.gz FAKHLLKATZHWFB-UHFFFAOYSA-N 0 0 438.881 4.339 20 0 IIADRN O=C1CCC2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)CC2)N1CC1CC1 ZINC001164775872 721306940 /nfs/dbraw/zinc/30/69/40/721306940.db2.gz KMDYHIPIJBDPAR-UHFFFAOYSA-N 0 0 447.917 4.108 20 0 IIADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164877854 721310661 /nfs/dbraw/zinc/31/06/61/721310661.db2.gz JVCJPTLIVMWFTH-AEGPPILISA-N 0 0 430.282 4.391 20 0 IIADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164876924 721311579 /nfs/dbraw/zinc/31/15/79/721311579.db2.gz HDNNHOXQPFMPLJ-ZOCIIQOWSA-N 0 0 446.885 4.286 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001164880210 721316785 /nfs/dbraw/zinc/31/67/85/721316785.db2.gz WMFYQILPGALAOZ-OAHLLOKOSA-N 0 0 426.294 4.434 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)CC2 ZINC001164880022 721319660 /nfs/dbraw/zinc/31/96/60/721319660.db2.gz VMFSAORZULSYAH-MRXNPFEDSA-N 0 0 440.758 4.199 20 0 IIADRN CCN1CC[C@@]2(CN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)C[C@@H]2C)C1=O ZINC001164776910 721323162 /nfs/dbraw/zinc/32/31/62/721323162.db2.gz GKQVRMNCANISCJ-RBZFPXEDSA-N 0 0 438.881 4.176 20 0 IIADRN COc1cc(C(F)(F)N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)cc(Cl)n1 ZINC001164777907 721325231 /nfs/dbraw/zinc/32/52/31/721325231.db2.gz MUBFTVZPWRRINA-AWEZNQCLSA-N 0 0 443.853 4.030 20 0 IIADRN COc1ccc(C(F)(F)N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)c(Cl)n1 ZINC001164776960 721325712 /nfs/dbraw/zinc/32/57/12/721325712.db2.gz HMQJIRRHSIVPNK-ZDUSSCGKSA-N 0 0 443.853 4.030 20 0 IIADRN CN(C)C1=NOC2(C1)CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164874586 721325929 /nfs/dbraw/zinc/32/59/29/721325929.db2.gz CGNGOJLQFNCAQM-UHFFFAOYSA-N 0 0 430.286 4.116 20 0 IIADRN CN(C)C1=NOC2(C1)CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164873722 721326170 /nfs/dbraw/zinc/32/61/70/721326170.db2.gz APJDWUSMRBGJSF-UHFFFAOYSA-N 0 0 430.286 4.116 20 0 IIADRN Cc1nc(C(F)(F)N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)nc(Cl)c1C ZINC001164778071 721326453 /nfs/dbraw/zinc/32/64/53/721326453.db2.gz UGCOYQYHDXOAIZ-AWEZNQCLSA-N 0 0 442.869 4.033 20 0 IIADRN CN(C)C1=NOC2(C1)CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CC2 ZINC001164876343 721327969 /nfs/dbraw/zinc/32/79/69/721327969.db2.gz OWLYRLKWIOVRRH-UHFFFAOYSA-N 0 0 439.869 4.115 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3)C2)C1 ZINC001164777068 721332905 /nfs/dbraw/zinc/33/29/05/721332905.db2.gz LVCMVHISWAWAQA-FQEVSTJZSA-N 0 0 440.922 4.004 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cnc4ccc(Cl)cc4n3)C2)C1 ZINC001164778279 721347450 /nfs/dbraw/zinc/34/74/50/721347450.db2.gz LYHORCURXVIBOH-QHCPKHFHSA-N 0 0 441.963 4.007 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ccc(-c4cccc(C)c4)nn3)C2)C1 ZINC001164787059 721366252 /nfs/dbraw/zinc/36/62/52/721366252.db2.gz XXHOTFOWFZIKES-AREMUKBSSA-N 0 0 447.583 4.176 20 0 IIADRN c1csc(CN2C[C@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C[C@@H]3C2)n1 ZINC001164787212 721421941 /nfs/dbraw/zinc/42/19/41/721421941.db2.gz PRHRPLSQAADICT-VXKWHMMOSA-N 0 0 448.592 4.209 20 0 IIADRN Fc1ccc(-c2nnc(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164786795 721426417 /nfs/dbraw/zinc/42/64/17/721426417.db2.gz PQFUECYOHAYLGX-HDICACEKSA-N 0 0 431.540 4.461 20 0 IIADRN Cc1ccc(C(F)(F)N2CCc3ncn(C)c3[C@@H]2COCc2cccnc2)nc1Cl ZINC001164780494 721441351 /nfs/dbraw/zinc/44/13/51/721441351.db2.gz BWVQKYGSJXBHNZ-KRWDZBQOSA-N 0 0 433.890 4.037 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN([C@H](F)Oc2ccnc(Cl)c2)CCO3)cs1 ZINC001164784198 721443691 /nfs/dbraw/zinc/44/36/91/721443691.db2.gz PFBKKJHMBXZSIZ-RYGJVYDSSA-N 0 0 441.956 4.220 20 0 IIADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4cccc(Cl)n4)C3)C2=O)cs1 ZINC001164885400 721460555 /nfs/dbraw/zinc/46/05/55/721460555.db2.gz DONYZFJCKITPBN-GOSISDBHSA-N 0 0 426.920 4.064 20 0 IIADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4ccc(F)c(Cl)n4)C3)C2=O)cs1 ZINC001164884271 721460749 /nfs/dbraw/zinc/46/07/49/721460749.db2.gz ADJFDWZGAWHPLR-GOSISDBHSA-N 0 0 444.910 4.203 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC[C@@H]21 ZINC001164893166 721463377 /nfs/dbraw/zinc/46/33/77/721463377.db2.gz RMTVGGVRUBPDGW-APWZRJJASA-N 0 0 434.918 4.425 20 0 IIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC[C@@H]21 ZINC001164893169 721463567 /nfs/dbraw/zinc/46/35/67/721463567.db2.gz RMTVGGVRUBPDGW-LPHOPBHVSA-N 0 0 434.918 4.425 20 0 IIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC[C@@H]21 ZINC001164894158 721467371 /nfs/dbraw/zinc/46/73/71/721467371.db2.gz VUZNPMMRBMVIIN-AAEUAGOBSA-N 0 0 425.829 4.382 20 0 IIADRN COc1ccc(C(F)(F)N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)nc1Cl ZINC001164896017 721473483 /nfs/dbraw/zinc/47/34/83/721473483.db2.gz UCBKPPHZVNXZNI-UHFFFAOYSA-N 0 0 435.902 4.090 20 0 IIADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cnc(Cl)cc1Cl ZINC001164891172 721474441 /nfs/dbraw/zinc/47/44/41/721474441.db2.gz BNLQCMNJXPRGAC-IBGZPJMESA-N 0 0 441.309 4.490 20 0 IIADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc(Cl)nc(Cl)c1 ZINC001164895148 721474682 /nfs/dbraw/zinc/47/46/82/721474682.db2.gz RDZVXXPYEJCBAY-IBGZPJMESA-N 0 0 441.309 4.490 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)Cc2cnn(C)c21 ZINC001164793473 721476387 /nfs/dbraw/zinc/47/63/87/721476387.db2.gz VVKIGKBMZUZIIM-MRXNPFEDSA-N 0 0 433.890 4.216 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)Cc2cnn(C)c21 ZINC001164793521 721476649 /nfs/dbraw/zinc/47/66/49/721476649.db2.gz WSNNQAYSWXBCHH-GFCCVEGCSA-N 0 0 442.297 4.355 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)Cc2cnn(C)c21 ZINC001164789764 721478116 /nfs/dbraw/zinc/47/81/16/721478116.db2.gz CCYGWGQOEIPSAG-CYBMUJFWSA-N 0 0 439.919 4.277 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)Cc2cnn(C)c21 ZINC001164792629 721478205 /nfs/dbraw/zinc/47/82/05/721478205.db2.gz OCSLBSBFIQKIMH-MRXNPFEDSA-N 0 0 433.890 4.216 20 0 IIADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164897473 721502693 /nfs/dbraw/zinc/50/26/93/721502693.db2.gz MAXIHORAHIRJAM-SFHVURJKSA-N 0 0 441.950 4.305 20 0 IIADRN O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164897208 721505506 /nfs/dbraw/zinc/50/55/06/721505506.db2.gz KJETVWFYFNYOFM-SFHVURJKSA-N 0 0 432.902 4.195 20 0 IIADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@]3(COc3ccccn3)C2)c1 ZINC001164795559 721506127 /nfs/dbraw/zinc/50/61/27/721506127.db2.gz LHBPAODCUCRKAD-MGPUTAFESA-N 0 0 437.874 4.147 20 0 IIADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164794939 721506382 /nfs/dbraw/zinc/50/63/82/721506382.db2.gz GINBHWVPRVRJDB-ACJLOTCBSA-N 0 0 429.298 4.495 20 0 IIADRN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1C[C@@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164796994 721507273 /nfs/dbraw/zinc/50/72/73/721507273.db2.gz WGCZSMXSVZTRHK-MGPUTAFESA-N 0 0 447.873 4.410 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(Cl)c(Cl)cc32)[C@H]2CCCO[C@@H]12 ZINC001164800411 721568785 /nfs/dbraw/zinc/56/87/85/721568785.db2.gz FLJOHTJCFFVWOV-PWRODBHTSA-N 0 0 444.366 4.200 20 0 IIADRN CN(C)C(=O)[C@@H]1CC12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164909206 721569808 /nfs/dbraw/zinc/56/98/08/721569808.db2.gz SVZNBALZCFIELO-ZDUSSCGKSA-N 0 0 429.298 4.176 20 0 IIADRN CN(C)C(=O)[C@@H]1CC12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CC2 ZINC001164901126 721571512 /nfs/dbraw/zinc/57/15/12/721571512.db2.gz CBWUGXWEFDHRLR-INIZCTEOSA-N 0 0 438.881 4.176 20 0 IIADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccnc(Cl)c1 ZINC001164901949 721577202 /nfs/dbraw/zinc/57/72/02/721577202.db2.gz HROWCYGSJFDZIF-GOSISDBHSA-N 0 0 440.922 4.043 20 0 IIADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccnc(Cl)c1 ZINC001164901950 721577209 /nfs/dbraw/zinc/57/72/09/721577209.db2.gz HROWCYGSJFDZIF-SFHVURJKSA-N 0 0 440.922 4.043 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2-c2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164803364 721582715 /nfs/dbraw/zinc/58/27/15/721582715.db2.gz HTBSDXFLNQBMNL-MIZPHKNDSA-N 0 0 435.959 4.060 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccc(F)cc2)[C@@H]2CCCO[C@@H]12 ZINC001164807671 721582824 /nfs/dbraw/zinc/58/28/24/721582824.db2.gz PEXWEJLRSIQHMV-VDKIKQQVSA-N 0 0 448.542 4.063 20 0 IIADRN COc1cc(C(F)(F)N2C[C@@H]3CCC[C@]3(COCc3cncc(C)c3)C2)nc(Cl)n1 ZINC001164805012 721601882 /nfs/dbraw/zinc/60/18/82/721601882.db2.gz ZKJKPEBVRHEAQZ-OXJNMPFZSA-N 0 0 438.906 4.210 20 0 IIADRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001165008987 721707802 /nfs/dbraw/zinc/70/78/02/721707802.db2.gz MKKKBMWESDCJBA-UHFFFAOYSA-N 0 0 434.922 4.275 20 0 IIADRN Cc1cc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc(-c2ccccn2)n1 ZINC001164912209 721761011 /nfs/dbraw/zinc/76/10/11/721761011.db2.gz VKOJQVUGOIPCAF-UHFFFAOYSA-N 0 0 426.524 4.030 20 0 IIADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1C[C@H](OCC2CC2)[C@@H]2COC[C@H]21 ZINC001165015612 721762391 /nfs/dbraw/zinc/76/23/91/721762391.db2.gz SPEQMKVDJCKYGG-YUELXQCFSA-N 0 0 430.282 4.112 20 0 IIADRN FC(F)(c1nc2[n-]cnc2c(Cl)n1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165015942 721768266 /nfs/dbraw/zinc/76/82/66/721768266.db2.gz TYRGPIIWWJALFR-UHFFFAOYSA-N 0 0 441.829 4.014 20 0 IIADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCc2ncnc(C3CC3)c2CC1 ZINC001164914750 721804446 /nfs/dbraw/zinc/80/44/46/721804446.db2.gz FOSQPXBSIUELST-QFIPXVFZSA-N 0 0 425.895 4.197 20 0 IIADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164916562 721805643 /nfs/dbraw/zinc/80/56/43/721805643.db2.gz QWYLGTCNKRQIIL-OXJNMPFZSA-N 0 0 432.858 4.040 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(-c3ccccc3Cl)nc(C)c2C)CC1 ZINC001164918633 721820138 /nfs/dbraw/zinc/82/01/38/721820138.db2.gz GGCVCLJYRSTKEL-UHFFFAOYSA-N 0 0 436.991 4.360 20 0 IIADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)CC2 ZINC001165022475 721833418 /nfs/dbraw/zinc/83/34/18/721833418.db2.gz ODLMBCXTXLCUBR-UHFFFAOYSA-N 0 0 432.229 4.443 20 0 IIADRN CCOC(=O)C1(F)CCN(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)CC1 ZINC001165016649 721835138 /nfs/dbraw/zinc/83/51/38/721835138.db2.gz FHQKHRVGOOUYBT-UHFFFAOYSA-N 0 0 431.817 4.353 20 0 IIADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2ccc(Cl)nc2)CC1 ZINC001165017926 721837376 /nfs/dbraw/zinc/83/73/76/721837376.db2.gz SAMIWZDNVTYNHL-UHFFFAOYSA-N 0 0 425.907 4.398 20 0 IIADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2cc(Cl)nc(C)n2)CC1 ZINC001165022169 721838947 /nfs/dbraw/zinc/83/89/47/721838947.db2.gz PXKJXALZZRRMNB-UHFFFAOYSA-N 0 0 440.922 4.101 20 0 IIADRN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N(Cc1cccnc1)Cc1ccccn1 ZINC001165039229 721881566 /nfs/dbraw/zinc/88/15/66/721881566.db2.gz YYBSXCUREYMWPH-UHFFFAOYSA-N 0 0 428.830 4.327 20 0 IIADRN CN1C(=O)CC[C@@H]2[C@H]1CCN2C(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164930432 721892545 /nfs/dbraw/zinc/89/25/45/721892545.db2.gz BSRATFAUKBJVLL-CHWSQXEVSA-N 0 0 435.689 4.334 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)CC[C@H]21)NC1CCC1 ZINC001164932783 721896478 /nfs/dbraw/zinc/89/64/78/721896478.db2.gz IGQRWSIGCBXNHR-VPWXQRGCSA-N 0 0 449.929 4.333 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)n1 ZINC001164933378 721898279 /nfs/dbraw/zinc/89/82/79/721898279.db2.gz LHSQFLAFDGBPIP-NRFANRHFSA-N 0 0 443.885 4.119 20 0 IIADRN O=C(C1=CC2(CCN(C(F)(F)c3nccc(Cl)n3)CC2)c2ccccc21)N1CCCC1 ZINC001164927639 721899352 /nfs/dbraw/zinc/89/93/52/721899352.db2.gz KDYPRFBONQTVEU-UHFFFAOYSA-N 0 0 444.913 4.233 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1cc(Cl)ncc1Cl)C2 ZINC001164934968 721910372 /nfs/dbraw/zinc/91/03/72/721910372.db2.gz AKCOMACQOSJMRK-RISCZKNCSA-N 0 0 430.257 4.423 20 0 IIADRN NC(=O)N1CCN(C(F)(F)c2cnc(Cl)c(-c3ccccc3C(F)(F)F)c2)CC1 ZINC001165041643 721941661 /nfs/dbraw/zinc/94/16/61/721941661.db2.gz AOHUPNOAIBGEJS-UHFFFAOYSA-N 0 0 434.796 4.166 20 0 IIADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(Cl)n3)C[C@@H]12 ZINC001164946316 721965121 /nfs/dbraw/zinc/96/51/21/721965121.db2.gz MZMJRKNTRHSNQR-VQIMIIECSA-N 0 0 441.309 4.097 20 0 IIADRN Cc1cccc2cc(Cl)nc(N3CCC4(CC3)C(=O)NCCN4Cc3ccccc3)c12 ZINC001164950404 721980788 /nfs/dbraw/zinc/98/07/88/721980788.db2.gz SQJXRNWURCYUPL-UHFFFAOYSA-N 0 0 434.971 4.168 20 0 IIADRN FC(F)(F)c1nnc(N2CCN(C(F)(F)c3cc(Cl)ncc3Cl)CC2)s1 ZINC001165052354 721999688 /nfs/dbraw/zinc/99/96/88/721999688.db2.gz QHNRPWUPULQGRF-UHFFFAOYSA-N 0 0 434.221 4.130 20 0 IIADRN CSc1ccc(C(F)(F)N2CCN(c3nnc(C(F)(F)F)s3)CC2)nc1Cl ZINC001165050839 721999807 /nfs/dbraw/zinc/99/98/07/721999807.db2.gz ADTMCTBMMYRLSR-UHFFFAOYSA-N 0 0 445.870 4.199 20 0 IIADRN COc1ccc(C(F)(F)N2C[C@H]3c4c(-c5ccccc5)nn(C)c4C[C@@H]3C2)nc1Cl ZINC001164951077 722004556 /nfs/dbraw/zinc/00/45/56/722004556.db2.gz GOYQPGNLROXFGK-HUUCEWRRSA-N 0 0 430.886 4.465 20 0 IIADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C[C@@H]21 ZINC001164954638 722004579 /nfs/dbraw/zinc/00/45/79/722004579.db2.gz ZPBYBIHEUGFUHR-QWHCGFSZSA-N 0 0 433.915 4.140 20 0 IIADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)C2 ZINC001164953472 722006351 /nfs/dbraw/zinc/00/63/51/722006351.db2.gz QXUJLZYCEZLUHV-UHFFFAOYSA-N 0 0 448.930 4.089 20 0 IIADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCN(CCc2ccccn2)CC1 ZINC001165056570 722013540 /nfs/dbraw/zinc/01/35/40/722013540.db2.gz WMSLXGKSBIPJBC-UHFFFAOYSA-N 0 0 438.309 4.241 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1ccc(Cl)nc1Cl ZINC001164962704 722027995 /nfs/dbraw/zinc/02/79/95/722027995.db2.gz REXWXSYPFLLNFN-NFAWXSAZSA-N 0 0 434.245 4.283 20 0 IIADRN O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164963113 722033985 /nfs/dbraw/zinc/03/39/85/722033985.db2.gz ZTLFOYFPASFQTO-XMSQKQJNSA-N 0 0 442.897 4.361 20 0 IIADRN O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001164957078 722034251 /nfs/dbraw/zinc/03/42/51/722034251.db2.gz LAUHFDSSKOQBKZ-UGKGYDQZSA-N 0 0 442.897 4.361 20 0 IIADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@H]3O2)n1 ZINC001164959658 722043257 /nfs/dbraw/zinc/04/32/57/722043257.db2.gz IZIBKWQJCCQHHD-HACGYAERSA-N 0 0 436.846 4.068 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2nc(C)cc(Cl)n2)[C@@H]3C)c1 ZINC001164963771 722062716 /nfs/dbraw/zinc/06/27/16/722062716.db2.gz DBKRQJJUGNQBCJ-OAHLLOKOSA-N 0 0 448.905 4.181 20 0 IIADRN O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cccc2ccnc(Cl)c21 ZINC001164964486 722064743 /nfs/dbraw/zinc/06/47/43/722064743.db2.gz HAWSTQAXPPTXJE-HOTGVXAUSA-N 0 0 434.899 4.383 20 0 IIADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C[C@H]2C1 ZINC001164978320 722084959 /nfs/dbraw/zinc/08/49/59/722084959.db2.gz YRUGIZQNZLCKTN-CLLJXQQHSA-N 0 0 438.881 4.098 20 0 IIADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C[C@H]2C1 ZINC001164970050 722085706 /nfs/dbraw/zinc/08/57/06/722085706.db2.gz BZWJZZGZEKFUJH-BJWYYQGGSA-N 0 0 446.929 4.473 20 0 IIADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C[C@H]2C1 ZINC001164970336 722086028 /nfs/dbraw/zinc/08/60/28/722086028.db2.gz DBGIQKRGVOQIQY-IAGOWNOFSA-N 0 0 446.929 4.473 20 0 IIADRN COc1cc(C(F)(F)N2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)cc(Cl)n1 ZINC001164973518 722091174 /nfs/dbraw/zinc/09/11/74/722091174.db2.gz KQCXQNXKIWLZNK-OAHLLOKOSA-N 0 0 427.923 4.201 20 0 IIADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164984417 722091899 /nfs/dbraw/zinc/09/18/99/722091899.db2.gz VZZMBBQGWIHJBV-AWEZNQCLSA-N 0 0 437.922 4.069 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@@H]21 ZINC001164985394 722096903 /nfs/dbraw/zinc/09/69/03/722096903.db2.gz YXZMGZNERZNLRR-SUNYJGFJSA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)C[C@H]21 ZINC001164984726 722097519 /nfs/dbraw/zinc/09/75/19/722097519.db2.gz UFPARXFDTKHVHL-CKEIUWERSA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C[C@@H]21 ZINC001164986625 722097841 /nfs/dbraw/zinc/09/78/41/722097841.db2.gz ZPYGVXPYQQHWQN-TXPKVOOTSA-N 0 0 445.901 4.307 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@H]21 ZINC001164984695 722098417 /nfs/dbraw/zinc/09/84/17/722098417.db2.gz TZFKVMTUINHTSO-NLWGTHIKSA-N 0 0 446.929 4.401 20 0 IIADRN FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1C[C@@H]2c3ccccc3[C@H](OCC3CC3)[C@@H]2C1 ZINC001164979645 722171299 /nfs/dbraw/zinc/17/12/99/722171299.db2.gz VDLCKIKQGAQCSD-INMHGKMJSA-N 0 0 431.874 4.204 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc5ccc(C)cc5nc4Cl)CC[C@@H]32)cs1 ZINC001164993860 722180812 /nfs/dbraw/zinc/18/08/12/722180812.db2.gz XGRIBCAEJHYEKM-VQTJNVASSA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)nc5c6ccccc6oc54)CC[C@H]32)cs1 ZINC001164986514 722183969 /nfs/dbraw/zinc/18/39/69/722183969.db2.gz DKTUQCNEVKPMFS-CTNGQTDRSA-N 0 0 449.580 4.319 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(-c5ccc(C)cc5)nn4)CC[C@H]32)cs1 ZINC001164988644 722184922 /nfs/dbraw/zinc/18/49/22/722184922.db2.gz NHRBUZQALLIXIP-DHIUTWEWSA-N 0 0 435.597 4.087 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(-c5cccc(C)c5)nn4)CC[C@@H]32)cs1 ZINC001164986137 722185240 /nfs/dbraw/zinc/18/52/40/722185240.db2.gz DEZMLRMTCGTTNY-XZOQPEGZSA-N 0 0 435.597 4.087 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C(C)C)nc(Cl)c4C)CC[C@@H]32)cs1 ZINC001164992554 722186270 /nfs/dbraw/zinc/18/62/70/722186270.db2.gz XFCPHWRFQFXFLQ-ZWKOTPCHSA-N 0 0 436.025 4.197 20 0 IIADRN COc1cc2ccnc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@@H]4CC3)c2cc1F ZINC001164989696 722186425 /nfs/dbraw/zinc/18/64/25/722186425.db2.gz PSRATYLSQRPWMN-NHCUHLMSSA-N 0 0 442.560 4.017 20 0 IIADRN COc1nc(Cl)ncc1C(F)(F)N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164996670 722206484 /nfs/dbraw/zinc/20/64/84/722206484.db2.gz VBRKTPWSGKLOSG-LJQANCHMSA-N 0 0 426.870 4.068 20 0 IIADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1cc(Cl)nc2c1CCCCC2 ZINC001164996949 722217414 /nfs/dbraw/zinc/21/74/14/722217414.db2.gz PAEBMJNFCYDMNL-KYNGSXCRSA-N 0 0 441.950 4.057 20 0 IIADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)c1nccc(Cl)n1)CC2 ZINC001164998889 722221135 /nfs/dbraw/zinc/22/11/35/722221135.db2.gz MRSBKSYWOOMFDS-GOSISDBHSA-N 0 0 432.902 4.255 20 0 IIADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001165002117 722247672 /nfs/dbraw/zinc/24/76/72/722247672.db2.gz WNPZCFLLYGROLU-UHFFFAOYSA-N 0 0 440.237 4.131 20 0 IIADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)Oc2cccnc2Cl)CC3)cs1 ZINC001165004327 722272514 /nfs/dbraw/zinc/27/25/14/722272514.db2.gz AJVVCJRYPLMFPX-OAHLLOKOSA-N 0 0 445.919 4.269 20 0 IIADRN C[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC001123268548 939817824 /nfs/dbraw/zinc/81/78/24/939817824.db2.gz SJAZQDPLGCANLM-SBUREZEXSA-N 0 0 448.485 4.435 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000426739885 1126085339 /nfs/dbraw/zinc/08/53/39/1126085339.db2.gz FHMHZVXXOBSFRK-OAHLLOKOSA-N 0 0 431.099 4.136 20 0 IIADRN COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](Cc1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000426723627 1126082653 /nfs/dbraw/zinc/08/26/53/1126082653.db2.gz MWVOIBNGFZISCD-QFIPXVFZSA-N 0 0 433.504 4.309 20 0 IIADRN Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])o1 ZINC000426728851 1126083796 /nfs/dbraw/zinc/08/37/96/1126083796.db2.gz XYPOGCWWCRPUCF-HXUWFJFHSA-N 0 0 425.456 4.341 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000426729062 1126083854 /nfs/dbraw/zinc/08/38/54/1126083854.db2.gz ZPIBYVKJXPETSM-SFHVURJKSA-N 0 0 429.419 4.172 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(Cl)cc1Br ZINC000426730229 1126083983 /nfs/dbraw/zinc/08/39/83/1126083983.db2.gz KIBUKLXVXRTNAG-MRXNPFEDSA-N 0 0 440.721 4.049 20 0 IIADRN COc1cc(C[NH2+][C@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])cc(OC)c1 ZINC000426731118 1126084071 /nfs/dbraw/zinc/08/40/71/1126084071.db2.gz CSDNJHZDCBFXRF-LJQANCHMSA-N 0 0 432.929 4.266 20 0 IIADRN Cc1cc(C)n(C[C@H]([NH2+]Cc2ccc(-c3ccc(Br)cc3)s2)C(=O)[O-])n1 ZINC000426736731 1126084858 /nfs/dbraw/zinc/08/48/58/1126084858.db2.gz YURMFWDMZVCOIP-KRWDZBQOSA-N 0 0 434.359 4.234 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000426759861 1126088605 /nfs/dbraw/zinc/08/86/05/1126088605.db2.gz XZCMWGNNLMXPIT-QGZVFWFLSA-N 0 0 435.318 4.497 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cc(F)ccc1Br ZINC000426759599 1126088634 /nfs/dbraw/zinc/08/86/34/1126088634.db2.gz NWUYXPJLWSSKDD-HNNXBMFYSA-N 0 0 431.099 4.136 20 0 IIADRN COc1cc(C[NH2+][C@H](Cc2cc(C)cc(C)c2)C(=O)[O-])ccc1OCc1c(C)noc1C ZINC000426770143 1126089439 /nfs/dbraw/zinc/08/94/39/1126089439.db2.gz PJUCQLGRXHMEFG-JOCHJYFZSA-N 0 0 438.524 4.281 20 0 IIADRN COc1cccc(C[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C(=O)[O-])c1 ZINC000426798370 1126091153 /nfs/dbraw/zinc/09/11/53/1126091153.db2.gz FANDDGIXKPPYBX-MRXNPFEDSA-N 0 0 443.135 4.006 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1cc(Br)ccc1Cl ZINC000426794526 1126090887 /nfs/dbraw/zinc/09/08/87/1126090887.db2.gz UWRJFAZOXQVRSD-OAHLLOKOSA-N 0 0 434.664 4.489 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000426746851 1126086463 /nfs/dbraw/zinc/08/64/63/1126086463.db2.gz LAMZJZWAFQLTKY-NRFANRHFSA-N 0 0 441.325 4.209 20 0 IIADRN Cc1cc(C)n(C[C@@H]([NH2+]Cc2ccc(OCc3c(F)cccc3Cl)cc2)C(=O)[O-])n1 ZINC000426748610 1126086835 /nfs/dbraw/zinc/08/68/35/1126086835.db2.gz YUIUGLGNRHOLMU-OAQYLSRUSA-N 0 0 431.895 4.114 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000426805015 1126091516 /nfs/dbraw/zinc/09/15/16/1126091516.db2.gz XZRCDDIQFYENIW-LJQANCHMSA-N 0 0 439.313 4.106 20 0 IIADRN Cc1cc(C)cc(C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C(=O)[O-])c1 ZINC000426807446 1126091536 /nfs/dbraw/zinc/09/15/36/1126091536.db2.gz HVFLUYRSYCXOHZ-MRXNPFEDSA-N 0 0 428.273 4.453 20 0 IIADRN CCn1c(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])nc2ccccc21 ZINC000579069707 1126098360 /nfs/dbraw/zinc/09/83/60/1126098360.db2.gz HYLGKMNVJIQGBW-QGZVFWFLSA-N 0 0 441.329 4.086 20 0 IIADRN CC[C@@H](C)Oc1cc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])ccc1OC ZINC000683174654 1126106373 /nfs/dbraw/zinc/10/63/73/1126106373.db2.gz WCWMIWRMQULURB-RDTXWAMCSA-N 0 0 436.346 4.421 20 0 IIADRN COc1c(C)cc(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])cc1C ZINC000756334013 1126107346 /nfs/dbraw/zinc/10/73/46/1126107346.db2.gz WAETWCVZHSUVOY-LJQANCHMSA-N 0 0 431.330 4.341 20 0 IIADRN O=C([O-])[C@@H](Cn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC001116779235 1126145777 /nfs/dbraw/zinc/14/57/77/1126145777.db2.gz ATMOMYCYBXUVIU-OAHLLOKOSA-N 0 0 440.750 4.271 20 0 IIADRN COc1ccc(N(C(C)=O)c2nc(CN[C@](C)(CO)Cc3ccccc3F)cs2)cc1 ZINC001560954382 1126214202 /nfs/dbraw/zinc/21/42/02/1126214202.db2.gz OOYJBKILGNLHBG-QHCPKHFHSA-N 0 0 443.544 4.059 20 0 IIADRN C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC001620624201 1126241625 /nfs/dbraw/zinc/24/16/25/1126241625.db2.gz RCFIAWTZFQOARP-HSZRJFAPSA-N 0 0 441.503 4.013 20 0 IIADRN CC(C)c1noc([C@H](C)Sc2nnc3n2c2ccccc2c(=O)n3Cc2ccccc2)n1 ZINC000012522748 519911107 /nfs/dbraw/zinc/91/11/07/519911107.db2.gz HMYFFNWODCIGTE-HNNXBMFYSA-N 0 0 446.536 4.452 20 0 IIADRN COC(=O)c1cc(CSc2nnc3n2c2ccccc2c(=O)n3CCC(C)C)oc1C ZINC000012596984 521863849 /nfs/dbraw/zinc/86/38/49/521863849.db2.gz RSWUGTCGWIOFLW-UHFFFAOYSA-N 0 0 440.525 4.071 20 0 IIADRN CCCCc1ccc(NC(=O)N2CCN(c3ncnc4cc(OC)c(OC)cc43)CC2)cc1 ZINC000013474779 562988818 /nfs/dbraw/zinc/98/88/18/562988818.db2.gz KOUDKWPXLHHVKW-UHFFFAOYSA-N 0 0 449.555 4.344 20 0 IIADRN OCC[C@@H]1CC12CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164392373 718811436 /nfs/dbraw/zinc/81/14/36/718811436.db2.gz MCOHERZPQDQWMT-QGZVFWFLSA-N 0 0 426.630 4.155 20 0 IIADRN C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@H]5COC[C@@H]5C4)c23)C1 ZINC001164387825 718819283 /nfs/dbraw/zinc/81/92/83/718819283.db2.gz IXISRKAUFWOCJA-SQNIBIBYSA-N 0 0 426.630 4.275 20 0 IIADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)C2 ZINC001164409890 718866596 /nfs/dbraw/zinc/86/65/96/718866596.db2.gz VEEJXMFJCDTBML-UHFFFAOYSA-N 0 0 447.873 4.125 20 0 IIADRN FC(F)(c1ccc(Cl)nc1)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164420361 718889677 /nfs/dbraw/zinc/88/96/77/718889677.db2.gz UQMHXHSWMUDMLK-ZDUSSCGKSA-N 0 0 443.679 4.268 20 0 IIADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@@H]3OCC(F)(F)[C@H]3C2)c2ccccc21 ZINC001164426133 718926316 /nfs/dbraw/zinc/92/63/16/718926316.db2.gz WWXFFIHDPQIDRT-HOCLYGCPSA-N 0 0 440.828 4.304 20 0 IIADRN C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4C[C@H]5OCC(F)(F)[C@H]5C4)c32)C1 ZINC001164423039 718929742 /nfs/dbraw/zinc/92/97/42/718929742.db2.gz DBMOEYOMKKMUDU-HYVNUMGLSA-N 0 0 448.583 4.272 20 0 IIADRN O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2C[C@H]2[C@@H](F)C1 ZINC001164432819 718962614 /nfs/dbraw/zinc/96/26/14/718962614.db2.gz YHYSIBNFBWZOLC-KYOSRNDESA-N 0 0 446.256 4.480 20 0 IIADRN CCOC(=O)[C@]12CCO[C@H]1CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164433485 718973343 /nfs/dbraw/zinc/97/33/43/718973343.db2.gz LSFFHOOAIWSUHU-KSSFIOAISA-N 0 0 446.281 4.030 20 0 IIADRN Cc1ncc2n1CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CC[C@H](C)C4)C2 ZINC001164439023 718992107 /nfs/dbraw/zinc/99/21/07/718992107.db2.gz AQPQVJMSJLMTBX-INIZCTEOSA-N 0 0 436.629 4.327 20 0 IIADRN CCOC(=O)c1nc2n(n1)CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C)c3)c1)C2 ZINC001164615019 719006383 /nfs/dbraw/zinc/00/63/83/719006383.db2.gz DQQQRAHSIRXMKR-UHFFFAOYSA-N 0 0 447.873 4.044 20 0 IIADRN O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CCCC(=O)CC1 ZINC001164645593 719286609 /nfs/dbraw/zinc/28/66/09/719286609.db2.gz LANYYPMMWHIBAM-UHFFFAOYSA-N 0 0 444.265 4.245 20 0 IIADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164646730 719293511 /nfs/dbraw/zinc/29/35/11/719293511.db2.gz PUTBTULAGAABHA-SBHAEUEKSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645825 719294209 /nfs/dbraw/zinc/29/42/09/719294209.db2.gz MCCOZJQZNZULEA-BXWFABGCSA-N 0 0 434.874 4.109 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC001164645576 719294479 /nfs/dbraw/zinc/29/44/79/719294479.db2.gz KUWGVVZOONKIQF-KSZLIROESA-N 0 0 441.931 4.350 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@H]32)c1 ZINC001164645577 719294639 /nfs/dbraw/zinc/29/46/39/719294639.db2.gz KUWGVVZOONKIQF-KURKYZTESA-N 0 0 441.931 4.350 20 0 IIADRN FC(F)(N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1)C1(c2ccnc(Cl)c2)CC1 ZINC001164656727 719295830 /nfs/dbraw/zinc/29/58/30/719295830.db2.gz YKRJHALLNIXUFL-HBFSDRIKSA-N 0 0 435.902 4.203 20 0 IIADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cccc(-c5ccc(Cl)nn5)c4)C[C@H]3O2)n1 ZINC001164646372 719300901 /nfs/dbraw/zinc/30/09/01/719300901.db2.gz ATJJNPTYQGJMQN-JCGIZDLHSA-N 0 0 447.873 4.390 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1cc(-c3nc(-c4cccs4)no3)ccn1)CC2 ZINC001164651194 719316329 /nfs/dbraw/zinc/31/63/29/719316329.db2.gz IEEPZJCROSYPJK-UHFFFAOYSA-N 0 0 449.584 4.262 20 0 IIADRN COc1ccc(Cc2c(C)nc(N3CCc4c(CN(C)C)nn(C(C)C)c4C3)nc2C)cc1 ZINC001164650443 719316847 /nfs/dbraw/zinc/31/68/47/719316847.db2.gz DNRUORGXGDKFLR-UHFFFAOYSA-N 0 0 448.615 4.095 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1nc(-c3ccccn3)nc3sccc31)CC2 ZINC001164650148 719316932 /nfs/dbraw/zinc/31/69/32/719316932.db2.gz ANYOSSWJXKACBP-UHFFFAOYSA-N 0 0 433.585 4.155 20 0 IIADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)C[C@H]2CCCO[C@@H]21 ZINC001164654273 719325395 /nfs/dbraw/zinc/32/53/95/719325395.db2.gz JVIJPFITIGMGSX-BLIXFSHQSA-N 0 0 449.929 4.333 20 0 IIADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)C[C@H]2CCCO[C@H]21 ZINC001164654244 719326430 /nfs/dbraw/zinc/32/64/30/719326430.db2.gz JJMDKTKAAMDABQ-OZOXKJRCSA-N 0 0 449.929 4.333 20 0 IIADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3[C@@H](OCC4CCCC4)CC[C@@H]32)c1 ZINC001164663679 719343814 /nfs/dbraw/zinc/34/38/14/719343814.db2.gz ZYKMKGRZVNAAEJ-BZSNNMDCSA-N 0 0 444.906 4.010 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(OC)ccc1Cl)CC2 ZINC001164658986 719350479 /nfs/dbraw/zinc/35/04/79/719350479.db2.gz OPXUOYHZHHXKRG-UHFFFAOYSA-N 0 0 437.975 4.438 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3nc(C)cnc31)CC2 ZINC001164660596 719355184 /nfs/dbraw/zinc/35/51/84/719355184.db2.gz VWMPMCKJCJCBRX-UHFFFAOYSA-N 0 0 439.567 4.028 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2nccc4c(Cl)ccnc42)CC3)cc1 ZINC001164673644 719498633 /nfs/dbraw/zinc/49/86/33/719498633.db2.gz QGNIEIXBDDFSGM-UHFFFAOYSA-N 0 0 426.923 4.294 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2cc4nc(Cl)cnc4cc2F)CC3)cc1 ZINC001164678741 719526525 /nfs/dbraw/zinc/52/65/25/719526525.db2.gz MYFQSFWWJULVKR-UHFFFAOYSA-N 0 0 444.913 4.433 20 0 IIADRN O=C([C@@H]1C[C@H]2OCC[C@@H]2N(C(F)(F)c2cccc3c(Cl)nccc32)C1)N1CCCC1 ZINC001164679258 719540578 /nfs/dbraw/zinc/54/05/78/719540578.db2.gz WLBTUWVXMBNZBQ-MDASCCDHSA-N 0 0 435.902 4.039 20 0 IIADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001164677931 719563569 /nfs/dbraw/zinc/56/35/69/719563569.db2.gz SKOYPYPSWIHGAN-UHFFFAOYSA-N 0 0 442.857 4.137 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)C[C@H]2COc1cccnc1 ZINC001164686989 719597114 /nfs/dbraw/zinc/59/71/14/719597114.db2.gz PNARCLFDFWUVSN-ZDUSSCGKSA-N 0 0 444.873 4.073 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1ccc(Cl)c(Cl)n1)C[C@@H]2COc1cccnc1 ZINC001164684744 719597289 /nfs/dbraw/zinc/59/72/89/719597289.db2.gz JRTSTBPYVWVZCQ-GFCCVEGCSA-N 0 0 440.281 4.245 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1cc(Cl)nc3c1CCC3)C[C@H]2COc1cccnc1 ZINC001164688574 719601904 /nfs/dbraw/zinc/60/19/04/719601904.db2.gz XXACWYKFAUXYHY-AWEZNQCLSA-N 0 0 445.901 4.080 20 0 IIADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cccc3ccnc(Cl)c32)N1Cc1cccnc1 ZINC001164692850 719769321 /nfs/dbraw/zinc/76/93/21/719769321.db2.gz VYIXGOYLXZKLEW-QZTJIDSGSA-N 0 0 428.870 4.208 20 0 IIADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2nc4ccccc4nc2Cl)CC3)cn1 ZINC001164699572 719826316 /nfs/dbraw/zinc/82/63/16/719826316.db2.gz XKRWDMOFCSAMRK-CQSZACIVSA-N 0 0 433.890 4.105 20 0 IIADRN COC[C@@H]1CN(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)Cc2cn(C)nc21 ZINC001164695505 719832743 /nfs/dbraw/zinc/83/27/43/719832743.db2.gz NWBHBIXMXFBMPJ-KRWDZBQOSA-N 0 0 448.901 4.343 20 0 IIADRN Cc1noc([C@]23COC[C@H]2CN(C(F)(F)c2ccc4nc(Cl)cc(Cl)c4c2)C3)n1 ZINC001164803909 720056548 /nfs/dbraw/zinc/05/65/48/720056548.db2.gz KZKVHLQALBMYBF-KZULUSFZSA-N 0 0 441.265 4.182 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCc3c(ncn3C(C)C)[C@H]2CNC(C)=O)c1 ZINC001164721047 720316039 /nfs/dbraw/zinc/31/60/39/720316039.db2.gz DEPBCFFDGWDPMW-MRXNPFEDSA-N 0 0 443.951 4.019 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCc3c(ncn3C(C)C)[C@@H]2CNC(C)=O)c1 ZINC001164721046 720316465 /nfs/dbraw/zinc/31/64/65/720316465.db2.gz DEPBCFFDGWDPMW-INIZCTEOSA-N 0 0 443.951 4.019 20 0 IIADRN COc1ccc(C(F)(F)N2C[C@H](OCc3csc(C)n3)[C@@H]3OCCC[C@@H]32)nc1Cl ZINC001164826735 720390002 /nfs/dbraw/zinc/39/00/02/720390002.db2.gz XMKGRSADRJGEEY-JLJPHGGASA-N 0 0 445.919 4.006 20 0 IIADRN COc1ccc(C(F)(F)N2C[C@H](OCc3csc(C)n3)[C@@H]3OCCC[C@H]32)nc1Cl ZINC001164826751 720390025 /nfs/dbraw/zinc/39/00/25/720390025.db2.gz XMKGRSADRJGEEY-UKPHBRMFSA-N 0 0 445.919 4.006 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3C)[C@H]3CCCO[C@H]23)cs1 ZINC001164821842 720390602 /nfs/dbraw/zinc/39/06/02/720390602.db2.gz JMJSDOZSWFMHAB-UXLLHSPISA-N 0 0 429.920 4.306 20 0 IIADRN COc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)nc(Cl)n1 ZINC001164832041 720397097 /nfs/dbraw/zinc/39/70/97/720397097.db2.gz YEMGCAINKVELMY-SFHVURJKSA-N 0 0 444.860 4.426 20 0 IIADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C[C@H]21 ZINC001164827637 720418611 /nfs/dbraw/zinc/41/86/11/720418611.db2.gz USKCQNOOHISXAW-RYRKJORJSA-N 0 0 437.918 4.047 20 0 IIADRN Clc1ccc(CN2CCCC2)c(N2CCO[C@@]3(CCC[C@H]3COc3ccccn3)C2)n1 ZINC001164736413 720539394 /nfs/dbraw/zinc/53/93/94/720539394.db2.gz XUZNKDDHCNNVNW-RDPSFJRHSA-N 0 0 442.991 4.180 20 0 IIADRN CC[C@@H]1N(c2nc(CN3CCCCC3)nc3sc(C)c(C)c32)CCC[C@]12CCC(=O)N2 ZINC001164848921 720755344 /nfs/dbraw/zinc/75/53/44/720755344.db2.gz QYRPLTDIOLFARM-UUOWRZLLSA-N 0 0 441.645 4.322 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164848590 720770109 /nfs/dbraw/zinc/77/01/09/720770109.db2.gz PYDDHYSWGKYBJY-KFWWJZLASA-N 0 0 445.297 4.066 20 0 IIADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164850743 720771685 /nfs/dbraw/zinc/77/16/85/720771685.db2.gz XSGXUEMLAZBVOS-ZNMIVQPWSA-N 0 0 445.297 4.066 20 0 IIADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4c5c(nnc4Cl)CCC5)C3)C2=O)c1 ZINC001164850626 720808520 /nfs/dbraw/zinc/80/85/20/720808520.db2.gz JRAVWCQLEJMACI-JOCHJYFZSA-N 0 0 446.929 4.101 20 0 IIADRN COC[C@@]12CCCO[C@@H]1CCN(c1nc(CN3CCCCC3)nc3sc(C)c(C)c31)C2 ZINC001164851027 720827746 /nfs/dbraw/zinc/82/77/46/720827746.db2.gz WEWDSJSJDYJATE-DVECYGJZSA-N 0 0 444.645 4.316 20 0 IIADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C2)CC1 ZINC001164861294 720894805 /nfs/dbraw/zinc/89/48/05/720894805.db2.gz XLDGJJOHMUNBLF-UHFFFAOYSA-N 0 0 447.917 4.080 20 0 IIADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)Sc3ccc(Cl)nc3)C2)CC1 ZINC001164855314 720894969 /nfs/dbraw/zinc/89/49/69/720894969.db2.gz BETXPNUDYXZMAT-UHFFFAOYSA-N 0 0 438.931 4.401 20 0 IIADRN Cc1ccc(C(F)(F)N2CC[C@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)nc1Cl ZINC001164855382 720899619 /nfs/dbraw/zinc/89/96/19/720899619.db2.gz BJSMGGLKHIJLQA-DYESRHJHSA-N 0 0 435.902 4.146 20 0 IIADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@H]21 ZINC001164759260 721005584 /nfs/dbraw/zinc/00/55/84/721005584.db2.gz ZGYXPEMBVUOQMN-AQNXPRMDSA-N 0 0 431.870 4.249 20 0 IIADRN Fc1cnc(Cl)cc1C(F)(F)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164762316 721028578 /nfs/dbraw/zinc/02/85/78/721028578.db2.gz HPGURGSIZJSWMH-DNVCBOLYSA-N 0 0 427.854 4.159 20 0 IIADRN Cc1nc(C(F)(F)N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc(Cl)c1C ZINC001164762929 721029386 /nfs/dbraw/zinc/02/93/86/721029386.db2.gz JFUKKBJJQOIDRP-XLIONFOSSA-N 0 0 438.906 4.031 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)cnc2Cl)n1 ZINC001164774276 721050734 /nfs/dbraw/zinc/05/07/34/721050734.db2.gz VTKSKBCISYMICM-CVEARBPZSA-N 0 0 427.282 4.017 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cccc5ccnc(Cl)c54)C[C@H]32)N=C1C ZINC001164870195 721230765 /nfs/dbraw/zinc/23/07/65/721230765.db2.gz GGNDYTOAOIQQQS-QLVMHMETSA-N 0 0 432.902 4.299 20 0 IIADRN C[C@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)Cc1nc(Cl)cc(Cl)n1 ZINC001164872594 721241833 /nfs/dbraw/zinc/24/18/33/721241833.db2.gz MZADSQRVWGRVCE-NSHDSACASA-N 0 0 432.302 4.119 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164873391 721249159 /nfs/dbraw/zinc/24/91/59/721249159.db2.gz IIMNWZWVBGRWMK-MNEFBYGVSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164770642 721275710 /nfs/dbraw/zinc/27/57/10/721275710.db2.gz VQEYTNPFZNQREU-AWEZNQCLSA-N 0 0 444.873 4.068 20 0 IIADRN Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)c2c4c(nnc2Cl)CCC4)CCO3)c1 ZINC001164775478 721304849 /nfs/dbraw/zinc/30/48/49/721304849.db2.gz XOODRNDZSJULJT-JOCHJYFZSA-N 0 0 448.945 4.348 20 0 IIADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164877857 721310765 /nfs/dbraw/zinc/31/07/65/721310765.db2.gz JVCJPTLIVMWFTH-BPLDGKMQSA-N 0 0 430.282 4.391 20 0 IIADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164880577 721312172 /nfs/dbraw/zinc/31/21/72/721312172.db2.gz RVOYSEHMVIVKAM-GDIGMMSISA-N 0 0 446.885 4.286 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164879052 721312179 /nfs/dbraw/zinc/31/21/79/721312179.db2.gz MOTJKXPELFIBFX-NIKGAXFTSA-N 0 0 446.885 4.286 20 0 IIADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164777913 721325745 /nfs/dbraw/zinc/32/57/45/721325745.db2.gz MWHPMSNXOWGOMV-GFCCVEGCSA-N 0 0 431.817 4.160 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001164776345 721326615 /nfs/dbraw/zinc/32/66/15/721326615.db2.gz DTWHVNTXROHOBR-AWEZNQCLSA-N 0 0 427.854 4.329 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cnc4c(Cl)cccc4n3)C2)C1 ZINC001164778218 721345438 /nfs/dbraw/zinc/34/54/38/721345438.db2.gz LHNRVVARULEFSM-HSZRJFAPSA-N 0 0 441.963 4.007 20 0 IIADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)N1c1ccsc1 ZINC001164882397 721357586 /nfs/dbraw/zinc/35/75/86/721357586.db2.gz IUIOHCOUWNZFSX-CABCVRRESA-N 0 0 447.898 4.183 20 0 IIADRN FC(F)(Oc1cccnc1Cl)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164780159 721383955 /nfs/dbraw/zinc/38/39/55/721383955.db2.gz FFEJWZDXDCKBEP-XLIONFOSSA-N 0 0 439.890 4.147 20 0 IIADRN FC(F)(Oc1ccnc(Cl)c1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164786987 721386751 /nfs/dbraw/zinc/38/67/51/721386751.db2.gz WLCBTNHVYYJIKL-YLJYHZDGSA-N 0 0 439.890 4.147 20 0 IIADRN c1csc(CN2C[C@H]3CN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C[C@@H]3C2)n1 ZINC001164784945 721408019 /nfs/dbraw/zinc/40/80/19/721408019.db2.gz LXSZRNBZKVRHAI-SFTDATJTSA-N 0 0 440.576 4.230 20 0 IIADRN Fc1ccc(-c2nnc(N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164786798 721426578 /nfs/dbraw/zinc/42/65/78/721426578.db2.gz PQFUECYOHAYLGX-QZTJIDSGSA-N 0 0 431.540 4.461 20 0 IIADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164787498 721428125 /nfs/dbraw/zinc/42/81/25/721428125.db2.gz RPYHUZFWHPLETM-HZPDHXFCSA-N 0 0 447.942 4.367 20 0 IIADRN Clc1ccc(-c2nc3c(c(N4C[C@H]5CN(Cc6nccs6)C[C@@H]5C4)n2)CCC3)s1 ZINC001164786370 721433002 /nfs/dbraw/zinc/43/30/02/721433002.db2.gz OPFBDSZQXOMMKJ-ZIAGYGMSSA-N 0 0 444.029 4.372 20 0 IIADRN Cc1cc(C(F)(F)N2CCc3ncn(C)c3[C@@H]2COCc2cccnc2)cc(Cl)n1 ZINC001164780996 721440487 /nfs/dbraw/zinc/44/04/87/721440487.db2.gz DVSPPDYUAFFXNL-SFHVURJKSA-N 0 0 433.890 4.037 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@]23CN([C@@H](F)Oc2ccnc(Cl)c2)CCO3)cs1 ZINC001164784182 721443741 /nfs/dbraw/zinc/44/37/41/721443741.db2.gz PFBKKJHMBXZSIZ-BEVDRBHNSA-N 0 0 441.956 4.220 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@]23CN([C@H](F)Oc2cccc(Cl)n2)CCO3)cs1 ZINC001164786768 721444143 /nfs/dbraw/zinc/44/41/43/721444143.db2.gz WCKLHCMPZJHHIF-YSSFQJQWSA-N 0 0 441.956 4.220 20 0 IIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC[C@H]21 ZINC001164893172 721463421 /nfs/dbraw/zinc/46/34/21/721463421.db2.gz RMTVGGVRUBPDGW-QFBILLFUSA-N 0 0 434.918 4.425 20 0 IIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC[C@H]21 ZINC001164893705 721466921 /nfs/dbraw/zinc/46/69/21/721466921.db2.gz UIINUFNYXJCENF-QFBILLFUSA-N 0 0 434.918 4.425 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164893222 721488272 /nfs/dbraw/zinc/48/82/72/721488272.db2.gz BTGQJSUQQPBFNP-OAHLLOKOSA-N 0 0 444.873 4.270 20 0 IIADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164893897 721488333 /nfs/dbraw/zinc/48/83/33/721488333.db2.gz FQJHZKBSEUKAON-MRXNPFEDSA-N 0 0 446.933 4.278 20 0 IIADRN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@H](OCC4CC4)[C@@H]3C2)cnc1Cl ZINC001164899235 721499885 /nfs/dbraw/zinc/49/98/85/721499885.db2.gz XSKRKJOTMJIMMH-UAGQMJEPSA-N 0 0 448.963 4.105 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(Cl)c2)[C@@H]2CCCO[C@@H]12 ZINC001164808379 721529119 /nfs/dbraw/zinc/52/91/19/721529119.db2.gz RUCHUVOTSZVZEW-KZNAEPCWSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2c(Cl)cc(Cl)nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164801360 721540648 /nfs/dbraw/zinc/54/06/48/721540648.db2.gz FANOSKLAOBVQSL-RKVPGOIHSA-N 0 0 427.763 4.305 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2c(Cl)cc(Cl)nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164801354 721541076 /nfs/dbraw/zinc/54/10/76/721541076.db2.gz FANOSKLAOBVQSL-DAYGRLMNSA-N 0 0 427.763 4.305 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)c(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164807806 721553337 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WKJOTHBJYHTWSU-NLWGTHIKSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2c(Cl)ccc3c(Cl)ncnc32)[C@H]2CCCO[C@@H]12 ZINC001164800057 721590864 /nfs/dbraw/zinc/59/08/64/721590864.db2.gz BKTUCLNFQZKZQS-WAOWUJCRSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc3c2CCC3)[C@H]2CCCO[C@@H]12 ZINC001164800860 721591623 /nfs/dbraw/zinc/59/16/23/721591623.db2.gz CVVIPGSOGYOQEW-TUNNFDKTSA-N 0 0 448.945 4.032 20 0 IIADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164797842 721600060 /nfs/dbraw/zinc/60/00/60/721600060.db2.gz CLWMHKCMLYXRKE-UHFFFAOYSA-N 0 0 435.862 4.078 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164799604 721600063 /nfs/dbraw/zinc/60/00/63/721600063.db2.gz ITTMRDURWVUKQZ-UHFFFAOYSA-N 0 0 445.901 4.485 20 0 IIADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)C3)c1 ZINC001164804255 721601310 /nfs/dbraw/zinc/60/13/10/721601310.db2.gz XWAUQSLTQXDBJQ-BEFAXECRSA-N 0 0 440.947 4.490 20 0 IIADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)c2nc4[nH]cnc4c(Cl)n2)C3)c1 ZINC001164802880 721601529 /nfs/dbraw/zinc/60/15/29/721601529.db2.gz STFHCLRPZKJFBP-YWZLYKJASA-N 0 0 448.905 4.030 20 0 IIADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)COc2cncc(Cl)n2)C3)c1 ZINC001164799595 721601706 /nfs/dbraw/zinc/60/17/06/721601706.db2.gz IRDLYTUHKOXYFY-FXAWDEMLSA-N 0 0 438.906 4.124 20 0 IIADRN CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)C2 ZINC001165012031 721724497 /nfs/dbraw/zinc/72/44/97/721724497.db2.gz ZEKSWDCNHQLNGN-IBGZPJMESA-N 0 0 426.870 4.195 20 0 IIADRN CCOC(=O)c1cnc(Cl)cc1N1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC001164908877 721744627 /nfs/dbraw/zinc/74/46/27/721744627.db2.gz NGNOACQJBOWCIZ-UHFFFAOYSA-N 0 0 440.931 4.094 20 0 IIADRN COc1ccc2nc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)c(Cl)nc2c1 ZINC001164907849 721752576 /nfs/dbraw/zinc/75/25/76/721752576.db2.gz BSHVSDDEBBSIEF-UHFFFAOYSA-N 0 0 449.942 4.475 20 0 IIADRN COc1ccc2nc(Cl)cc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)c2n1 ZINC001164910081 721755508 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442.523 4.192 20 0 IIADRN FC(F)(c1nc(Cl)nc2[n-]cnc21)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165013964 721768364 /nfs/dbraw/zinc/76/83/64/721768364.db2.gz CBHHYOAZUDMEOB-UHFFFAOYSA-N 0 0 441.829 4.014 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)[C@@H]2C1 ZINC001165016154 721769270 /nfs/dbraw/zinc/76/92/70/721769270.db2.gz OCGCKUYSTORIMD-CXAGYDPISA-N 0 0 432.858 4.162 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1ccc2nc(Cl)cnc2c1 ZINC001165019575 721770059 /nfs/dbraw/zinc/77/00/59/721770059.db2.gz WNYHWIWLJNCZHJ-GUYCJALGSA-N 0 0 432.858 4.162 20 0 IIADRN O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)C2 ZINC001165016340 721785461 /nfs/dbraw/zinc/78/54/61/721785461.db2.gz CFRMZLJEPGUFGG-NRFANRHFSA-N 0 0 443.885 4.247 20 0 IIADRN Cc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)cc(Cl)n1 ZINC001164914691 721801853 /nfs/dbraw/zinc/80/18/53/721801853.db2.gz QEXXFGKCPZKVLT-QGZVFWFLSA-N 0 0 429.849 4.120 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164915952 721805215 /nfs/dbraw/zinc/80/52/15/721805215.db2.gz MRSKXAOEPGXAHN-UZLBHIALSA-N 0 0 432.858 4.040 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164917383 721806343 /nfs/dbraw/zinc/80/63/43/721806343.db2.gz VYNRWJTYRBLGEA-MGPUTAFESA-N 0 0 432.858 4.040 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2cccc3ccnc(Cl)c32)CC1 ZINC001164918587 721816908 /nfs/dbraw/zinc/81/69/08/721816908.db2.gz PZKLUYQVLMWKNC-UHFFFAOYSA-N 0 0 431.918 4.379 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(c2cnc(Cl)nc2Oc2cccc(F)c2)CC1 ZINC001164918237 721821077 /nfs/dbraw/zinc/82/10/77/721821077.db2.gz DMAFHQHXVUQXKO-UHFFFAOYSA-N 0 0 442.926 4.007 20 0 IIADRN CCOC(=O)C1(F)CCN(C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)CC1 ZINC001165017413 721835263 /nfs/dbraw/zinc/83/52/63/721835263.db2.gz LHPBIGNSFCHATI-UHFFFAOYSA-N 0 0 431.817 4.353 20 0 IIADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2ccnc(Cl)c2)CC1 ZINC001165021314 721837650 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ZINC001164961478 722034907 /nfs/dbraw/zinc/03/49/07/722034907.db2.gz VVHSHEHHLDCIIU-UGKGYDQZSA-N 0 0 442.897 4.361 20 0 IIADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4ccc(-c5ccnc(Cl)c5)cc4)C[C@@H]3O2)n1 ZINC001164963499 722040842 /nfs/dbraw/zinc/04/08/42/722040842.db2.gz RNLHAKMBYSAAJF-NEWSRXKRSA-N 0 0 446.885 4.475 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]21 ZINC001164961441 722048391 /nfs/dbraw/zinc/04/83/91/722048391.db2.gz ZMYJATCRUXFHHE-YJBOKZPZSA-N 0 0 444.869 4.286 20 0 IIADRN FC(F)(c1cnc(Cl)cn1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164960372 722049661 /nfs/dbraw/zinc/04/96/61/722049661.db2.gz VMHKXWCYWOQWFF-UHFFFAOYSA-N 0 0 441.873 4.164 20 0 IIADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001164960264 722050426 /nfs/dbraw/zinc/05/04/26/722050426.db2.gz UVGKOUBELCWARL-UHFFFAOYSA-N 0 0 442.857 4.137 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cccnc2Cl)[C@@H]3C)c1 ZINC001164965019 722062727 /nfs/dbraw/zinc/06/27/27/722062727.db2.gz HZHILAFRJKEHBN-OAHLLOKOSA-N 0 0 433.890 4.478 20 0 IIADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)CC2 ZINC001164967950 722078603 /nfs/dbraw/zinc/07/86/03/722078603.db2.gz NESDEUYRDBZESO-UHFFFAOYSA-N 0 0 442.293 4.272 20 0 IIADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164968302 722082681 /nfs/dbraw/zinc/08/26/81/722082681.db2.gz AMUGNADOASVNFC-UHFFFAOYSA-N 0 0 427.238 4.458 20 0 IIADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C[C@H]2C1 ZINC001164975632 722085742 /nfs/dbraw/zinc/08/57/42/722085742.db2.gz TXGWCPMKEFHQEF-BJWYYQGGSA-N 0 0 446.929 4.473 20 0 IIADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C[C@@H]2C1 ZINC001164975638 722085743 /nfs/dbraw/zinc/08/57/43/722085743.db2.gz TXGWCPMKEFHQEF-IRXDYDNUSA-N 0 0 446.929 4.473 20 0 IIADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C[C@H]2C1 ZINC001164974307 722085748 /nfs/dbraw/zinc/08/57/48/722085748.db2.gz QEGPMEKAOZFQDP-IAGOWNOFSA-N 0 0 446.929 4.473 20 0 IIADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164971336 722091232 /nfs/dbraw/zinc/09/12/32/722091232.db2.gz BMGLWDBOKFSVTC-CYBMUJFWSA-N 0 0 433.330 4.241 20 0 IIADRN COc1ccc(C(F)(F)N2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)c(Cl)n1 ZINC001164972850 722091547 /nfs/dbraw/zinc/09/15/47/722091547.db2.gz IHRUPOQTPSPXHC-OAHLLOKOSA-N 0 0 427.923 4.201 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C[C@@H]21 ZINC001164982339 722098332 /nfs/dbraw/zinc/09/83/32/722098332.db2.gz NOMOBUVUSLVOSU-WSTZPKSXSA-N 0 0 446.929 4.401 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@H]21 ZINC001164984696 722098386 /nfs/dbraw/zinc/09/83/86/722098386.db2.gz TZFKVMTUINHTSO-QWFCFKBJSA-N 0 0 446.929 4.401 20 0 IIADRN FC(F)(c1nc(Cl)nc2[nH]cnc21)N1C[C@@H]2[C@@H](OCC3CC3)c3ccccc3[C@H]2C1 ZINC001164978739 722171458 /nfs/dbraw/zinc/17/14/58/722171458.db2.gz SBMUWSDIKNLSHA-VYDXJSESSA-N 0 0 431.874 4.204 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4ccc(C)c(Cl)n4)CC[C@H]32)cs1 ZINC001164994110 722182620 /nfs/dbraw/zinc/18/26/20/722182620.db2.gz YAQJDJXCWSJKMR-IAGOWNOFSA-N 0 0 442.963 4.223 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4nc(Cl)ccc4C)CC[C@@H]32)cs1 ZINC001164994500 722183874 /nfs/dbraw/zinc/18/38/74/722183874.db2.gz YXFIRNIWEQJWOX-IRXDYDNUSA-N 0 0 442.963 4.223 20 0 IIADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164987723 722187582 /nfs/dbraw/zinc/18/75/82/722187582.db2.gz ATILCCMELTXUJZ-CYBMUJFWSA-N 0 0 436.330 4.035 20 0 IIADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(SC)cnc1Cl)CC2 ZINC001164990290 722187661 /nfs/dbraw/zinc/18/76/61/722187661.db2.gz LFOAMPWOKUSCDA-INIZCTEOSA-N 0 0 447.979 4.103 20 0 IIADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1cc(Cl)nc(Cl)c1)CCO2 ZINC001165001149 722248671 /nfs/dbraw/zinc/24/86/71/722248671.db2.gz MXPUBYRJEDJJFS-SFHVURJKSA-N 0 0 446.281 4.038 20 0 IIADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)Oc2cccc(Cl)n2)CC3)cs1 ZINC001165006321 722272589 /nfs/dbraw/zinc/27/25/89/722272589.db2.gz NLBFLYRELRMGSK-HNNXBMFYSA-N 0 0 445.919 4.269 20 0 IIADRN C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576641 939137076 /nfs/dbraw/zinc/13/70/76/939137076.db2.gz BTKJTQWZKAXGTR-RLLQIKCJSA-N 0 0 449.473 4.213 20 0 IIADRN COc1cc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc1OCc1c(C)noc1C ZINC000426644141 1126081173 /nfs/dbraw/zinc/08/11/73/1126081173.db2.gz BLVPCEWZVTVFEB-QFIPXVFZSA-N 0 0 449.507 4.146 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1cc(Cl)ccc1Br ZINC000426727180 1126083474 /nfs/dbraw/zinc/08/34/74/1126083474.db2.gz NGSKRGYFRJXGDV-MRXNPFEDSA-N 0 0 440.721 4.049 20 0 IIADRN O=C([O-])[C@@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1cccc2c1OCCO2 ZINC000426738155 1126085175 /nfs/dbraw/zinc/08/51/75/1126085175.db2.gz TWHXIFDPINPDIC-QGZVFWFLSA-N 0 0 430.913 4.020 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cc(F)ccc1Br ZINC000426759600 1126088534 /nfs/dbraw/zinc/08/85/34/1126088534.db2.gz NWUYXPJLWSSKDD-OAHLLOKOSA-N 0 0 431.099 4.136 20 0 IIADRN Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](Cc1cc(C)cc(C)c1)C(=O)[O-] ZINC000426765178 1126089327 /nfs/dbraw/zinc/08/93/27/1126089327.db2.gz KSPOVBOKPJPIER-NRFANRHFSA-N 0 0 442.357 4.346 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000426774589 1126089877 /nfs/dbraw/zinc/08/98/77/1126089877.db2.gz VNXSTVFVEYYYOW-AWEZNQCLSA-N 0 0 435.320 4.238 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000426778301 1126090094 /nfs/dbraw/zinc/09/00/94/1126090094.db2.gz WKXGKDLDIDDAEX-QGZVFWFLSA-N 0 0 444.281 4.223 20 0 IIADRN Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000426781061 1126090134 /nfs/dbraw/zinc/09/01/34/1126090134.db2.gz XSXUIHULOZLHJT-NRFANRHFSA-N 0 0 426.879 4.240 20 0 IIADRN COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H](Cc3ccc(F)cc3)C(=O)[O-])cc2)c1 ZINC000426743951 1126085997 /nfs/dbraw/zinc/08/59/97/1126085997.db2.gz VLXYSPPZAZVMOG-QHCPKHFHSA-N 0 0 425.456 4.421 20 0 IIADRN Cc1cc(C)n(C[C@H]([NH2+]Cc2ccc(Oc3cccc(Br)c3)cc2)C(=O)[O-])n1 ZINC000426745831 1126086339 /nfs/dbraw/zinc/08/63/39/1126086339.db2.gz WIGXZAYGUOUWHL-FQEVSTJZSA-N 0 0 444.329 4.298 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000426754506 1126087608 /nfs/dbraw/zinc/08/76/08/1126087608.db2.gz QUJPPMRJXPOUTD-QGZVFWFLSA-N 0 0 449.732 4.304 20 0 IIADRN COc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])c(Cl)c1 ZINC000426802087 1126091299 /nfs/dbraw/zinc/09/12/99/1126091299.db2.gz UNMYNVWNKBDXPC-SFHVURJKSA-N 0 0 437.721 4.378 20 0 IIADRN COc1cccc(C[C@H]([NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C(=O)[O-])c1 ZINC000426805293 1126091526 /nfs/dbraw/zinc/09/15/26/1126091526.db2.gz ABGLBKODATVGBH-IBGZPJMESA-N 0 0 432.929 4.170 20 0 IIADRN O[C@H]([C@@H](Cc1ccccc1)NCc1csc(-c2ccc3c(c2)OCO3)n1)C(F)(F)F ZINC000604765787 1126099541 /nfs/dbraw/zinc/09/95/41/1126099541.db2.gz IIUWVCDLMIHNNO-VQIMIIECSA-N 0 0 436.455 4.163 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1sc(Sc2ccccc2)nc1Cl ZINC000756366626 1126107693 /nfs/dbraw/zinc/10/76/93/1126107693.db2.gz UVVJHSAPWHMFQX-AWEZNQCLSA-N 0 0 448.953 4.462 20 0 IIADRN O[C@@H]([C@H](Cc1ccccc1)NCc1noc(-c2c(F)cccc2Cl)n1)C(F)(F)F ZINC001308034972 1126162295 /nfs/dbraw/zinc/16/22/95/1126162295.db2.gz NZTOHKNVFOZUQY-YOEHRIQHSA-N 0 0 429.801 4.153 20 0 IIADRN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCN(c3ccc(Cl)cc3)CC1)O2 ZINC000013651290 562999152 /nfs/dbraw/zinc/99/91/52/562999152.db2.gz FTQCIERHWNMELO-XMMPIXPASA-N 0 0 428.960 4.403 20 0 IIADRN CC(C)(c1ccnc(Cl)c1)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164419978 718891042 /nfs/dbraw/zinc/89/10/42/718891042.db2.gz SQCBKJBUYDSZLY-HNNXBMFYSA-N 0 0 435.753 4.454 20 0 IIADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC(=O)c3ccc(F)cc32)CC1 ZINC001164424001 718937906 /nfs/dbraw/zinc/93/79/06/718937906.db2.gz MAFMMBCJBJPEJW-UHFFFAOYSA-N 0 0 438.833 4.330 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164645483 719292676 /nfs/dbraw/zinc/29/26/76/719292676.db2.gz JFRNLULZLBEJAA-SBHAEUEKSA-N 0 0 446.885 4.176 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCc2ccncc2)c1 ZINC001164645578 719294550 /nfs/dbraw/zinc/29/45/50/719294550.db2.gz KUWGVVZOONKIQF-SQNIBIBYSA-N 0 0 441.931 4.350 20 0 IIADRN FC(F)(Sc1ccc(Cl)nc1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164651691 719295327 /nfs/dbraw/zinc/29/53/27/719295327.db2.gz MCWPGKLXUHXOHB-NUJGCVRESA-N 0 0 427.904 4.221 20 0 IIADRN Clc1ccc(OC(Cl)(Cl)N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@@H]32)cn1 ZINC001164654346 719295828 /nfs/dbraw/zinc/29/58/28/719295828.db2.gz RHYNKMJEMRUVRN-JZXOWHBKSA-N 0 0 444.746 4.046 20 0 IIADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)C[C@H]3O2)n1 ZINC001164647319 719301235 /nfs/dbraw/zinc/30/12/35/719301235.db2.gz DPBPUSUKHRBGDP-FHLIZLRMSA-N 0 0 447.873 4.390 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)C[C@@H]2CCCO[C@@H]12 ZINC001164646656 719304246 /nfs/dbraw/zinc/30/42/46/719304246.db2.gz BIEYTJLXWPGUPA-XAUMDUMWSA-N 0 0 435.902 4.039 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1nc(-c3ccccn3)nc3ccccc31)CC2 ZINC001164651117 719315202 /nfs/dbraw/zinc/31/52/02/719315202.db2.gz IBNJSVNMPPATFG-UHFFFAOYSA-N 0 0 427.556 4.094 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1cc(F)ccc1-c1ccc(Cl)nn1)CC2 ZINC001164653593 719315976 /nfs/dbraw/zinc/31/59/76/719315976.db2.gz XCSGQGHVJYBDPO-UHFFFAOYSA-N 0 0 428.943 4.338 20 0 IIADRN F[C@@H](Oc1ccnc(Cl)c1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164654248 719323131 /nfs/dbraw/zinc/32/31/31/719323131.db2.gz JLVLGHPSCGKIRT-JOCHJYFZSA-N 0 0 443.910 4.006 20 0 IIADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001164663191 719342978 /nfs/dbraw/zinc/34/29/78/719342978.db2.gz VZBFWHXYOBZIJR-FCEWJHQRSA-N 0 0 444.906 4.010 20 0 IIADRN CCc1ncnc(Cl)c1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CCN2CC ZINC001164663555 719347017 /nfs/dbraw/zinc/34/70/17/719347017.db2.gz KKPGZLSESJKQRZ-UHFFFAOYSA-N 0 0 436.991 4.387 20 0 IIADRN CCN(CC)c1cc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)ncn1 ZINC001164659512 719352452 /nfs/dbraw/zinc/35/24/52/719352452.db2.gz PUGINRQHGYOISW-UHFFFAOYSA-N 0 0 445.615 4.018 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(Cl)c(OC)n1)CC2 ZINC001164659732 719352691 /nfs/dbraw/zinc/35/26/91/719352691.db2.gz RVCZPVCCQCJDNG-UHFFFAOYSA-N 0 0 437.975 4.438 20 0 IIADRN CCc1cc(CC)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)n1 ZINC001164664162 719356329 /nfs/dbraw/zinc/35/63/29/719356329.db2.gz LDORAWJYFSGYGU-UHFFFAOYSA-N 0 0 430.600 4.296 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2cnc4cc(Cl)ccc4n2)CC3)cc1 ZINC001164674429 719504187 /nfs/dbraw/zinc/50/41/87/719504187.db2.gz XFIZCXXBCJWEEH-UHFFFAOYSA-N 0 0 426.923 4.294 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2ccc(-c4ccccc4F)nn2)CC3)cc1 ZINC001164678090 719525405 /nfs/dbraw/zinc/52/54/05/719525405.db2.gz IVPYENQPEYOAHU-UHFFFAOYSA-N 0 0 436.506 4.293 20 0 IIADRN O=C([C@@H]1C[C@H]2OCC[C@@H]2N(C(F)(F)c2ccc3ccc(Cl)nc3c2)C1)N1CCCC1 ZINC001164678776 719537584 /nfs/dbraw/zinc/53/75/84/719537584.db2.gz NLKGUJVRDMWXCD-AYOQOUSVSA-N 0 0 435.902 4.039 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)C[C@H]2COc1cccnc1 ZINC001164688785 719600203 /nfs/dbraw/zinc/60/02/03/719600203.db2.gz ZXKZMDSZYREXCE-HNNXBMFYSA-N 0 0 445.901 4.166 20 0 IIADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2ccc3ccc(Cl)nc3c2)N1Cc1cccnc1 ZINC001164690692 719766676 /nfs/dbraw/zinc/76/66/76/719766676.db2.gz HCMFDFGOVRANRW-MOPGFXCFSA-N 0 0 428.870 4.208 20 0 IIADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2ccc4nc(Cl)cnc4c2)CC3)cn1 ZINC001164698812 719825335 /nfs/dbraw/zinc/82/53/35/719825335.db2.gz VDLLKFNVQBXPGZ-CQSZACIVSA-N 0 0 433.890 4.105 20 0 IIADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164806164 720050931 /nfs/dbraw/zinc/05/09/31/720050931.db2.gz RRBZEXZBOHMWPN-RXVVDRJESA-N 0 0 448.901 4.084 20 0 IIADRN Cc1noc([C@]23COC[C@@H]2CN(C(F)(F)c2cnc(Cl)c(C4CCCCC4)c2)C3)n1 ZINC001164810891 720063506 /nfs/dbraw/zinc/06/35/06/720063506.db2.gz MFNXZWQCTBLVIL-OXJNMPFZSA-N 0 0 438.906 4.423 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164709545 720066216 /nfs/dbraw/zinc/06/62/16/720066216.db2.gz ABGBTMCIEJZICY-KZNAEPCWSA-N 0 0 427.854 4.254 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164717957 720066768 /nfs/dbraw/zinc/06/67/68/720066768.db2.gz ZPOGJUJASBFCOT-KSZLIROESA-N 0 0 427.854 4.254 20 0 IIADRN Cc1nc(CO[C@H]2CN(C(F)(F)c3cc(C)nc(Cl)c3)[C@@H]3CCCO[C@H]32)cs1 ZINC001164822878 720386694 /nfs/dbraw/zinc/38/66/94/720386694.db2.gz MRAABJVOFNFPPR-SOLBZPMBSA-N 0 0 429.920 4.306 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(F)c3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164823552 720389034 /nfs/dbraw/zinc/38/90/34/720389034.db2.gz OFWAYTNGOWOBHV-ARFHVFGLSA-N 0 0 433.883 4.137 20 0 IIADRN COc1ccc(C(F)(F)N2C[C@H](OCc3csc(C)n3)[C@@H]3OCCC[C@@H]32)c(Cl)n1 ZINC001164824448 720389125 /nfs/dbraw/zinc/38/91/25/720389125.db2.gz RYLWTFLIVJVVMD-YQQAZPJKSA-N 0 0 445.919 4.006 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C)[C@H]3CCCO[C@@H]23)cs1 ZINC001164825752 720389972 /nfs/dbraw/zinc/38/99/72/720389972.db2.gz VBSRRWKZCMTNCF-LZLYRXPVSA-N 0 0 429.920 4.306 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3C)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164821840 720390426 /nfs/dbraw/zinc/39/04/26/720390426.db2.gz JMJSDOZSWFMHAB-BFYDXBDKSA-N 0 0 429.920 4.306 20 0 IIADRN FC(F)(COc1ccc(Cl)nn1)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164825306 720396203 /nfs/dbraw/zinc/39/62/03/720396203.db2.gz UXGCYAPXWXCNRW-SFHVURJKSA-N 0 0 444.860 4.339 20 0 IIADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C[C@H]21 ZINC001164827635 720418255 /nfs/dbraw/zinc/41/82/55/720418255.db2.gz USKCQNOOHISXAW-NUJGCVRESA-N 0 0 437.918 4.047 20 0 IIADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C[C@@H]21 ZINC001164827660 720422903 /nfs/dbraw/zinc/42/29/03/720422903.db2.gz VABWUPKVOPSAPY-GPMSIDNRSA-N 0 0 437.918 4.047 20 0 IIADRN Clc1nnc(Cl)c(N2CCCCC2)c1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164732074 720489163 /nfs/dbraw/zinc/48/91/63/720489163.db2.gz YNSQESWRAKJTTP-IAGOWNOFSA-N 0 0 433.387 4.022 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)CC[C@H]21)N1CCCCC1 ZINC001164835142 720499591 /nfs/dbraw/zinc/49/95/91/720499591.db2.gz XELYMYPRXQLZKE-FMKPAKJESA-N 0 0 448.341 4.177 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164736401 720538414 /nfs/dbraw/zinc/53/84/14/720538414.db2.gz XOZDYEJWVPXFNT-KUHUBIRLSA-N 0 0 427.854 4.269 20 0 IIADRN Cc1nc(C(F)(F)N2CCO[C@@]3(CCC[C@H]3COc3ccccn3)C2)nc(Cl)c1C ZINC001164734691 720539771 /nfs/dbraw/zinc/53/97/71/720539771.db2.gz KNKUUPLOSRPSIT-JXFKEZNVSA-N 0 0 438.906 4.141 20 0 IIADRN FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164849899 720769083 /nfs/dbraw/zinc/76/90/83/720769083.db2.gz UODBSVUXAOMMPD-BPUTZDHNSA-N 0 0 445.297 4.066 20 0 IIADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164844821 720775187 /nfs/dbraw/zinc/77/51/87/720775187.db2.gz DECXSSUDIIDPOU-BZSNNMDCSA-N 0 0 448.901 4.499 20 0 IIADRN COC[C@]12CCC[C@@H]1CN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164846685 720791396 /nfs/dbraw/zinc/79/13/96/720791396.db2.gz KEDQSNMROBAJPY-MZNJEOGPSA-N 0 0 426.630 4.419 20 0 IIADRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@@H]2CN1Cc1ccncc1 ZINC001164854119 720815263 /nfs/dbraw/zinc/81/52/63/720815263.db2.gz SLKQUFSRTYWFJY-MAUKXSAKSA-N 0 0 444.869 4.030 20 0 IIADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3OCCC[C@]3(COC)C2)n1 ZINC001164847025 720828178 /nfs/dbraw/zinc/82/81/78/720828178.db2.gz HPMBBNWMFDOFNJ-WZONZLPQSA-N 0 0 432.634 4.172 20 0 IIADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164757302 720976013 /nfs/dbraw/zinc/97/60/13/720976013.db2.gz NYBJBFYQHGGNPP-OAHLLOKOSA-N 0 0 433.890 4.088 20 0 IIADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164758544 720983164 /nfs/dbraw/zinc/98/31/64/720983164.db2.gz WABJWLKFZQXHKA-ZDUSSCGKSA-N 0 0 433.286 4.073 20 0 IIADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164758543 720983419 /nfs/dbraw/zinc/98/34/19/720983419.db2.gz WABJWLKFZQXHKA-CYBMUJFWSA-N 0 0 433.286 4.073 20 0 IIADRN FC(F)(c1cccc2c(Cl)nccc21)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001164760935 721007818 /nfs/dbraw/zinc/00/78/18/721007818.db2.gz RBYKBYSUIFPRQD-SXLOBPIMSA-N 0 0 431.870 4.249 20 0 IIADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@H]21 ZINC001164758617 721010302 /nfs/dbraw/zinc/01/03/02/721010302.db2.gz ISCNRATXKBCWDV-YUELXQCFSA-N 0 0 449.807 4.114 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164762448 721025920 /nfs/dbraw/zinc/02/59/20/721025920.db2.gz VWENOHNFYYXMMA-HNAYVOBHSA-N 0 0 427.854 4.159 20 0 IIADRN FC(F)(c1cnc(Cl)nc1Cl)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164761832 721026189 /nfs/dbraw/zinc/02/61/89/721026189.db2.gz UQWHRAIKOXOJCA-KSSFIOAISA-N 0 0 445.297 4.068 20 0 IIADRN Fc1cnc(Cl)cc1C(F)(F)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164762317 721028952 /nfs/dbraw/zinc/02/89/52/721028952.db2.gz HPGURGSIZJSWMH-HNAYVOBHSA-N 0 0 427.854 4.159 20 0 IIADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164872901 721216947 /nfs/dbraw/zinc/21/69/47/721216947.db2.gz OXEYSMRDGLCTQU-UHFFFAOYSA-N 0 0 429.298 4.204 20 0 IIADRN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164871304 721222560 /nfs/dbraw/zinc/22/25/60/721222560.db2.gz JRJPVRHURLRWOP-UHFFFAOYSA-N 0 0 434.918 4.428 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164879813 721246433 /nfs/dbraw/zinc/24/64/33/721246433.db2.gz ZGXGUYVYGYWEQI-VDGAXYAQSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164872021 721250196 /nfs/dbraw/zinc/25/01/96/721250196.db2.gz CMXWWQVCGNANBQ-ILXRZTDVSA-N 0 0 445.297 4.015 20 0 IIADRN FC(F)(N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21)C1(c2ccc(Cl)nc2)CC1 ZINC001164873337 721252783 /nfs/dbraw/zinc/25/27/83/721252783.db2.gz HQCVLKKLRKIUHM-QRVBRYPASA-N 0 0 435.902 4.455 20 0 IIADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3cccnc3Cl)C2)O1)c1ccccc1 ZINC001164878013 721253664 /nfs/dbraw/zinc/25/36/64/721253664.db2.gz RZFFTJKYUATZJN-UWJYYQICSA-N 0 0 435.902 4.228 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164769750 721269799 /nfs/dbraw/zinc/26/97/99/721269799.db2.gz ZQXBQESSTFZHKT-UHFFFAOYSA-N 0 0 432.858 4.229 20 0 IIADRN COc1ccc(C(F)(F)N2CCc3c(COCc4ccccn4)cncc3C2)nc1Cl ZINC001164766020 721270414 /nfs/dbraw/zinc/27/04/14/721270414.db2.gz MNXZZALJXMJFBN-UHFFFAOYSA-N 0 0 446.885 4.358 20 0 IIADRN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164767476 721270486 /nfs/dbraw/zinc/27/04/86/721270486.db2.gz RGYBOGSNQVXAKP-UHFFFAOYSA-N 0 0 449.914 4.033 20 0 IIADRN COc1ccc(C(F)(F)N2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)nc1Cl ZINC001164775188 721304313 /nfs/dbraw/zinc/30/43/13/721304313.db2.gz RRDYSPZQKFIQMM-OAQYLSRUSA-N 0 0 437.918 4.473 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)c1 ZINC001164881685 721314213 /nfs/dbraw/zinc/31/42/13/721314213.db2.gz XJUGWHPXLKTREV-KBRIMQKVSA-N 0 0 441.931 4.460 20 0 IIADRN COc1ccc(C(F)(F)N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)nc1Cl ZINC001164777163 721315254 /nfs/dbraw/zinc/31/52/54/721315254.db2.gz ITJSROUGPSNZBU-UHFFFAOYSA-N 0 0 434.849 4.490 20 0 IIADRN Fc1ccc(-c2ncnc3c2CCN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)CC3)cc1 ZINC001164779279 721316122 /nfs/dbraw/zinc/31/61/22/721316122.db2.gz WZIABJCQFMVADS-UHFFFAOYSA-N 0 0 437.878 4.165 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164878783 721316701 /nfs/dbraw/zinc/31/67/01/721316701.db2.gz PNPXPWFNCNHUOR-MRXNPFEDSA-N 0 0 426.294 4.434 20 0 IIADRN CCN1CC[C@@]2(CN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)C[C@H]2C)C1=O ZINC001164779381 721319149 /nfs/dbraw/zinc/31/91/49/721319149.db2.gz XKSMZZVAANSIKI-ZMZPIMSZSA-N 0 0 429.298 4.176 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)CC2 ZINC001164879348 721319312 /nfs/dbraw/zinc/31/93/12/721319312.db2.gz RVACUAJIBTUXRQ-OAHLLOKOSA-N 0 0 442.293 4.313 20 0 IIADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(F)(F)c3ccnc(Cl)c3)C2)cs1 ZINC001164873445 721330566 /nfs/dbraw/zinc/33/05/66/721330566.db2.gz CDYICRCHWYYTPH-CQSZACIVSA-N 0 0 439.919 4.095 20 0 IIADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2nc(Cl)c3cccc(F)c3n2)N1c1ccsc1 ZINC001164885199 721355157 /nfs/dbraw/zinc/35/51/57/721355157.db2.gz XKPXSQVYPPSEMZ-UONOGXRCSA-N 0 0 438.862 4.413 20 0 IIADRN COCCN1CCN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)Cc2cccnc21 ZINC001164886722 721369612 /nfs/dbraw/zinc/36/96/12/721369612.db2.gz NKANQRKSOKPVGP-UHFFFAOYSA-N 0 0 445.901 4.210 20 0 IIADRN Fc1ccc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COCc3ccncc3)C2)nc1Cl ZINC001164784539 721383437 /nfs/dbraw/zinc/38/34/37/721383437.db2.gz PZGOOCWEMNJHMD-OXQOHEQNSA-N 0 0 441.881 4.406 20 0 IIADRN CSc1ccc(Oc2cc(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)ncn2)cc1 ZINC001164790191 721421967 /nfs/dbraw/zinc/42/19/67/721421967.db2.gz WNSCMKQCDRXSEY-HOTGVXAUSA-N 0 0 425.583 4.016 20 0 IIADRN Fc1ccc(Oc2nc(Cl)ncc2N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164789686 721428055 /nfs/dbraw/zinc/42/80/55/721428055.db2.gz WCTQTRDVTLVJRJ-ZIAGYGMSSA-N 0 0 431.924 4.086 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2ccc(Cl)nn2)CCO3)cs1 ZINC001164785103 721443328 /nfs/dbraw/zinc/44/33/28/721443328.db2.gz ROKPLOCWKBXROA-KSSFIOAISA-N 0 0 444.935 4.032 20 0 IIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)CC[C@H]21 ZINC001164887598 721463738 /nfs/dbraw/zinc/46/37/38/721463738.db2.gz CRHWLMRKRSAGRN-BLLLJJGKSA-N 0 0 426.870 4.050 20 0 IIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)CC[C@H]21 ZINC001164894772 721464624 /nfs/dbraw/zinc/46/46/24/721464624.db2.gz YNYRKXXJGJXDCX-DLBZAZTESA-N 0 0 434.918 4.425 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC[C@H]21 ZINC001164891820 721466798 /nfs/dbraw/zinc/46/67/98/721466798.db2.gz OMZIIYFZJUODKO-VQIMIIECSA-N 0 0 434.918 4.425 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC[C@H]21 ZINC001164894159 721467184 /nfs/dbraw/zinc/46/71/84/721467184.db2.gz VUZNPMMRBMVIIN-DGCLKSJQSA-N 0 0 425.829 4.382 20 0 IIADRN CCOC[C@@H]1CN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)Cc2cnn(C)c21 ZINC001164791823 721477714 /nfs/dbraw/zinc/47/77/14/721477714.db2.gz JWRFYKKNYIKWSH-JTQLQIEISA-N 0 0 425.694 4.461 20 0 IIADRN CCOC[C@@H]1CN(C(F)(F)c2cc(-c3cccs3)nnc2Cl)Cc2cnn(C)c21 ZINC001164789765 721477963 /nfs/dbraw/zinc/47/79/63/721477963.db2.gz CCYGWGQOEIPSAG-ZDUSSCGKSA-N 0 0 439.919 4.277 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)Cc2cnn(C)c21 ZINC001164792044 721478012 /nfs/dbraw/zinc/47/80/12/721478012.db2.gz LAYQTWHUFUUATD-MRXNPFEDSA-N 0 0 433.890 4.216 20 0 IIADRN Fc1cccnc1OC[C@@]12COC[C@@H]1CN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001164793415 721486495 /nfs/dbraw/zinc/48/64/95/721486495.db2.gz SAKKWEJTVNZKKV-HRAATJIYSA-N 0 0 449.860 4.499 20 0 IIADRN CSc1ccc(C(F)(F)N2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)nc1Cl ZINC001164897201 721489513 /nfs/dbraw/zinc/48/95/13/721489513.db2.gz CEADWYDKKTXLSI-ZDUSSCGKSA-N 0 0 445.963 4.046 20 0 IIADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2CCC[C@@H](OCC3CC3)[C@@H]2C1 ZINC001164901187 721496918 /nfs/dbraw/zinc/49/69/18/721496918.db2.gz TYVJOLDRUSSQLJ-GVDBMIGSSA-N 0 0 426.939 4.307 20 0 IIADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164895741 721500180 /nfs/dbraw/zinc/50/01/80/721500180.db2.gz FFFPDELOMGUAKK-AWEZNQCLSA-N 0 0 436.330 4.081 20 0 IIADRN CSc1nc(Cl)cc(C(F)(F)N2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)n1 ZINC001164795522 721505294 /nfs/dbraw/zinc/50/52/94/721505294.db2.gz KXUUHQCAERRAAQ-ACJLOTCBSA-N 0 0 426.920 4.477 20 0 IIADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164797053 721505543 /nfs/dbraw/zinc/50/55/43/721505543.db2.gz YEBBJNOQEZBMMX-JLTOFOAXSA-N 0 0 437.874 4.147 20 0 IIADRN O=C1CCC2(CCN(C(F)(F)c3cc(Cl)ncc3Cl)CC2)N1Cc1ccncc1 ZINC001164895315 721506032 /nfs/dbraw/zinc/50/60/32/721506032.db2.gz CAVGPIVLAYZZCX-UHFFFAOYSA-N 0 0 441.309 4.490 20 0 IIADRN O=C1CCC2(CCN(C(F)(F)c3ccc(Cl)c(Cl)n3)CC2)N1Cc1ccncc1 ZINC001164895752 721506480 /nfs/dbraw/zinc/50/64/80/721506480.db2.gz FKYMGJJMKIBYBN-UHFFFAOYSA-N 0 0 441.309 4.490 20 0 IIADRN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164796995 721506880 /nfs/dbraw/zinc/50/68/80/721506880.db2.gz WGCZSMXSVZTRHK-QRWLVFNGSA-N 0 0 447.873 4.410 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc(Cl)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164795187 721525542 /nfs/dbraw/zinc/52/55/42/721525542.db2.gz LLNGMVULEQPCOW-VAMGGRTRSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164809015 721532324 /nfs/dbraw/zinc/53/23/24/721532324.db2.gz TZGYPJMUVHABKD-YQVWRLOYSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2Cl)[C@H]2CCCO[C@H]12 ZINC001164806116 721533210 /nfs/dbraw/zinc/53/32/10/721533210.db2.gz OBWDGYGZVCDXDP-JZXOWHBKSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)cccc32)[C@H]2CCCO[C@@H]12 ZINC001164802496 721549496 /nfs/dbraw/zinc/54/94/96/721549496.db2.gz GNCRFAKJEKAJAS-NLWGTHIKSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(Cl)c32)[C@@H]2CCCO[C@@H]12 ZINC001164802294 721554228 /nfs/dbraw/zinc/55/42/28/721554228.db2.gz IAAYIBKBWJTPCO-QWFCFKBJSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ncc2-c2ccccc2)[C@@H]2CCCO[C@@H]12 ZINC001164808035 721555883 /nfs/dbraw/zinc/55/58/83/721555883.db2.gz UMGSWTJZWNQKGT-YPAWHYETSA-N 0 0 435.959 4.060 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2c(Cl)ccc3c(Cl)ncnc32)[C@@H]2CCCO[C@H]12 ZINC001164800054 721590744 /nfs/dbraw/zinc/59/07/44/721590744.db2.gz BKTUCLNFQZKZQS-OPYAIIAOSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cccc(F)c32)[C@H]2CCCO[C@H]12 ZINC001164810874 721591690 /nfs/dbraw/zinc/59/16/90/721591690.db2.gz WONNLJWQLPCTLS-JQVVWYNYSA-N 0 0 426.923 4.291 20 0 IIADRN FC(F)(Oc1cccnc1Cl)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164803765 721603630 /nfs/dbraw/zinc/60/36/30/721603630.db2.gz WDISVTFGFCNBDI-MRXNPFEDSA-N 0 0 439.890 4.257 20 0 IIADRN CSc1nc2c(c(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)n1)CCCC2 ZINC001164910809 721753227 /nfs/dbraw/zinc/75/32/27/721753227.db2.gz RWTBASUBPNTKJL-UHFFFAOYSA-N 0 0 435.597 4.260 20 0 IIADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@@H]4COC[C@@H]43)c(Cl)nn2)cc1 ZINC001165015362 721764945 /nfs/dbraw/zinc/76/49/45/721764945.db2.gz OVMDRPMGTBZWRJ-MNEFBYGVSA-N 0 0 439.865 4.111 20 0 IIADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@@H]4COC[C@@H]43)c(Cl)nn2)c1 ZINC001165015552 721765061 /nfs/dbraw/zinc/76/50/61/721765061.db2.gz QYPVKDUWAMHDIM-MNEFBYGVSA-N 0 0 439.865 4.111 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCC[C@H]3CN(C(=O)c4ccco4)C[C@@H]32)c1 ZINC001165014701 721771702 /nfs/dbraw/zinc/77/17/02/721771702.db2.gz FOPHXEAIRNLMRS-WFASDCNBSA-N 0 0 427.904 4.336 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cccc2c(Cl)ncnc21 ZINC001165018989 721772213 /nfs/dbraw/zinc/77/22/13/721772213.db2.gz VIWSRYUNIBWJMZ-BBRMVZONSA-N 0 0 432.858 4.162 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164918049 721805589 /nfs/dbraw/zinc/80/55/89/721805589.db2.gz ZWEGZRRIGZECJF-OXQOHEQNSA-N 0 0 432.858 4.040 20 0 IIADRN CSc1ccc(C(F)(F)N2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)nc1Cl ZINC001164915826 721806356 /nfs/dbraw/zinc/80/63/56/721806356.db2.gz LHJQXSCIQXQVDB-KSSFIOAISA-N 0 0 427.904 4.214 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001164918233 721809875 /nfs/dbraw/zinc/80/98/75/721809875.db2.gz PTDJVVCFFKFEST-DETPVDSQSA-N 0 0 433.883 4.076 20 0 IIADRN CCOC(=O)C1(F)CCN(c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)CC1 ZINC001165018009 721834816 /nfs/dbraw/zinc/83/48/16/721834816.db2.gz PGULPCXDGAGCBW-UHFFFAOYSA-N 0 0 442.560 4.292 20 0 IIADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1C[C@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164923916 721838809 /nfs/dbraw/zinc/83/88/09/721838809.db2.gz KYTXMMKIKDVWRG-AVRDEDQJSA-N 0 0 445.897 4.498 20 0 IIADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164923919 721838850 /nfs/dbraw/zinc/83/88/50/721838850.db2.gz KYTXMMKIKDVWRG-PGRDOPGGSA-N 0 0 445.897 4.498 20 0 IIADRN Cc1nc(Cl)cc(C(F)(F)N2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)n1 ZINC001164926517 721898272 /nfs/dbraw/zinc/89/82/72/721898272.db2.gz CAIPUHXHBQYYMK-NRFANRHFSA-N 0 0 443.885 4.119 20 0 IIADRN FC(F)(Oc1ccnc(Cl)c1)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164928810 721899122 /nfs/dbraw/zinc/89/91/22/721899122.db2.gz PSNRDPUVYUVQEO-OAQYLSRUSA-N 0 0 444.869 4.295 20 0 IIADRN Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CCN(C[C@H]3CCCO3)CC2)n1 ZINC001165039831 721909988 /nfs/dbraw/zinc/90/99/88/721909988.db2.gz VSWZGXWSYBYZES-OAQYLSRUSA-N 0 0 435.959 4.160 20 0 IIADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001164938158 721915689 /nfs/dbraw/zinc/91/56/89/721915689.db2.gz IUKCSAGQKQIHPX-UHFFFAOYSA-N 0 0 428.874 4.285 20 0 IIADRN Fc1ccccc1-c1cc(C(F)(F)N2CCN(C[C@H]3CCCO3)CC2)cnc1Cl ZINC001165043312 721922305 /nfs/dbraw/zinc/92/23/05/721922305.db2.gz IURICRUEXXYBMW-MRXNPFEDSA-N 0 0 425.882 4.387 20 0 IIADRN COc1ccc(C(F)(F)N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)c(Cl)n1 ZINC001164947945 721966200 /nfs/dbraw/zinc/96/62/00/721966200.db2.gz SDHWHOQSVRNWDP-GHTZIAJQSA-N 0 0 435.902 4.057 20 0 IIADRN COc1ccc(C(F)(F)N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)c(Cl)n1 ZINC001164947947 721966265 /nfs/dbraw/zinc/96/62/65/721966265.db2.gz SDHWHOQSVRNWDP-NQIIRXRSSA-N 0 0 435.902 4.057 20 0 IIADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C[C@@H]12 ZINC001164942534 721967346 /nfs/dbraw/zinc/96/73/46/721967346.db2.gz CUERRCDWRAWTNF-IFMALSPDSA-N 0 0 446.929 4.321 20 0 IIADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164952670 721997892 /nfs/dbraw/zinc/99/78/92/721997892.db2.gz SGWKMEGOIWGBQA-UHFFFAOYSA-N 0 0 444.873 4.342 20 0 IIADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN([C@@H](F)Oc2ccc(Cl)nc2)C3)n1 ZINC001164957163 722026549 /nfs/dbraw/zinc/02/65/49/722026549.db2.gz ADLYIPHNWKSZJN-KSEOMHKRSA-N 0 0 435.927 4.158 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001164963387 722027910 /nfs/dbraw/zinc/02/79/10/722027910.db2.gz SRWKSZDFFNMIMT-KFWWJZLASA-N 0 0 434.245 4.283 20 0 IIADRN CSc1nc(Cl)cc(C(F)(F)N2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)n1 ZINC001164959517 722043547 /nfs/dbraw/zinc/04/35/47/722043547.db2.gz HRCJYSKZZSEWMP-KRWDZBQOSA-N 0 0 444.960 4.400 20 0 IIADRN COc1ccc(C(F)(F)N2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)nc1Cl ZINC001164962533 722044133 /nfs/dbraw/zinc/04/41/33/722044133.db2.gz PEUSJDBJKKVRAU-GOSISDBHSA-N 0 0 427.904 4.292 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)Oc2cccc(Cl)n2)[C@@H]3C)c1 ZINC001164963028 722062942 /nfs/dbraw/zinc/06/29/42/722062942.db2.gz ASSGIMDGPVQWID-OAHLLOKOSA-N 0 0 449.889 4.358 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN([C@@H](F)Oc2cccc(Cl)n2)[C@@H]3C)c1 ZINC001164966467 722063056 /nfs/dbraw/zinc/06/30/56/722063056.db2.gz UOFGBHLARAULPW-QVKFZJNVSA-N 0 0 431.899 4.060 20 0 IIADRN O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001164966140 722064286 /nfs/dbraw/zinc/06/42/86/722064286.db2.gz OQQWRPFDNJLMKG-IAGOWNOFSA-N 0 0 434.899 4.383 20 0 IIADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164967378 722078096 /nfs/dbraw/zinc/07/80/96/722078096.db2.gz CKPPEEULBOKZBN-UHFFFAOYSA-N 0 0 426.294 4.392 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164969439 722082850 /nfs/dbraw/zinc/08/28/50/722082850.db2.gz ODPKPFOKSOPQFS-UHFFFAOYSA-N 0 0 443.841 4.353 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164969716 722082931 /nfs/dbraw/zinc/08/29/31/722082931.db2.gz RGPBVDFRIOFAER-UHFFFAOYSA-N 0 0 443.841 4.353 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)C[C@H]21 ZINC001164984834 722096802 /nfs/dbraw/zinc/09/68/02/722096802.db2.gz XKBWROGIMCVHQC-HBUWYVDXSA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3ccc(Cl)nc3Cl)C[C@H]21 ZINC001164976283 722096917 /nfs/dbraw/zinc/09/69/17/722096917.db2.gz GQOKUQPQSBBICA-CKEIUWERSA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C[C@H]21 ZINC001164986615 722097836 /nfs/dbraw/zinc/09/78/36/722097836.db2.gz ZPYGVXPYQQHWQN-FRQCXROJSA-N 0 0 445.901 4.307 20 0 IIADRN O=C1CC2(CCN(C(F)(F)c3cc(Cl)ncn3)CC2)c2ccccc2N1CC1CC1 ZINC001164975288 722160686 /nfs/dbraw/zinc/16/06/86/722160686.db2.gz RJOWOATYRHMYTN-UHFFFAOYSA-N 0 0 432.902 4.360 20 0 IIADRN CSc1nc2sccc2c(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)n1 ZINC001164990865 722176274 /nfs/dbraw/zinc/17/62/74/722176274.db2.gz WNEGFHKIHTXSAH-SJORKVTESA-N 0 0 447.655 4.048 20 0 IIADRN CSc1cc(Cl)ncc1N1CC[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164989208 722180027 /nfs/dbraw/zinc/18/00/27/722180027.db2.gz LMBAMYVFCDAXIR-RDJZCZTQSA-N 0 0 425.023 4.092 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5c4CCCCC5)CC[C@@H]32)cs1 ZINC001164989906 722180831 /nfs/dbraw/zinc/18/08/31/722180831.db2.gz MMJBLLLYRZXSKJ-PMACEKPBSA-N 0 0 448.036 4.034 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc5ccc(C)cc5nc4Cl)CC[C@H]32)cs1 ZINC001164993861 722180836 /nfs/dbraw/zinc/18/08/36/722180836.db2.gz XGRIBCAEJHYEKM-WOJBJXKFSA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)nc5cc(Cl)ccc54)CC[C@H]32)cs1 ZINC001164986626 722181965 /nfs/dbraw/zinc/18/19/65/722181965.db2.gz DWYRWKGBDXXRFZ-NHCUHLMSSA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)nc5cc(Cl)ccc54)CC[C@@H]32)cs1 ZINC001164986636 722182153 /nfs/dbraw/zinc/18/21/53/722182153.db2.gz DWYRWKGBDXXRFZ-SFTDATJTSA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4c(Cl)ncc(Cl)c4C)CC[C@H]32)cs1 ZINC001164985663 722184588 /nfs/dbraw/zinc/18/45/88/722184588.db2.gz BNFYGATUICMQAD-SJORKVTESA-N 0 0 427.401 4.332 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(-c5cc(C)ccc5C)nn4)CC[C@@H]32)cs1 ZINC001164990713 722185545 /nfs/dbraw/zinc/18/55/45/722185545.db2.gz RUWCZYYLDVVACJ-ZEQRLZLVSA-N 0 0 449.624 4.395 20 0 IIADRN COc1cc2ccnc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)c2cc1F ZINC001164989694 722186462 /nfs/dbraw/zinc/18/64/62/722186462.db2.gz PSRATYLSQRPWMN-LEWJYISDSA-N 0 0 442.560 4.017 20 0 IIADRN CC(=O)N1CC2(CCN(C(F)(F)COc3ccnc(Cl)c3)CC2)c2cc(C)ccc21 ZINC001164990866 722189500 /nfs/dbraw/zinc/18/95/00/722189500.db2.gz OEBFCAXRVBMPQC-UHFFFAOYSA-N 0 0 435.902 4.415 20 0 IIADRN CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)[C@H]2C1 ZINC001164994664 722214421 /nfs/dbraw/zinc/21/44/21/722214421.db2.gz CGFFMPFVTMKPSF-IHPCNDPISA-N 0 0 449.929 4.455 20 0 IIADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001164996989 722215886 /nfs/dbraw/zinc/21/58/86/722215886.db2.gz PPGDEPMTCUHINJ-BIMULSAOSA-N 0 0 442.721 4.095 20 0 IIADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC001164997792 722217513 /nfs/dbraw/zinc/21/75/13/722217513.db2.gz RSKSSZWKJCOPFN-XCRHUMRWSA-N 0 0 439.890 4.048 20 0 IIADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3cnc(Cl)nc3)CC2)c2ccccc21 ZINC001165000697 722220644 /nfs/dbraw/zinc/22/06/44/722220644.db2.gz YBGVHDNRTJAGLF-UHFFFAOYSA-N 0 0 444.913 4.136 20 0 IIADRN Nc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)c1 ZINC001164998647 722221379 /nfs/dbraw/zinc/22/13/79/722221379.db2.gz KZLXNHADRCPDIL-FQEVSTJZSA-N 0 0 446.929 4.442 20 0 IIADRN CC(C)CN1c2ccccc2[C@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)CC[C@H]21 ZINC001165006508 722245741 /nfs/dbraw/zinc/24/57/41/722245741.db2.gz ZCUXNBAHTVMYAE-GDBMZVCRSA-N 0 0 432.906 4.341 20 0 IIADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1cnc(Cl)c(Cl)c1)CCO2 ZINC001164999790 722248442 /nfs/dbraw/zinc/24/84/42/722248442.db2.gz CGTLEQZPYUHABF-SFHVURJKSA-N 0 0 446.281 4.038 20 0 IIADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1cc(Cl)nc(Cl)c1)CCO2 ZINC001165001148 722248586 /nfs/dbraw/zinc/24/85/86/722248586.db2.gz MXPUBYRJEDJJFS-GOSISDBHSA-N 0 0 446.281 4.038 20 0 IIADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1ccnc(Cl)c1Cl)CCO2 ZINC001165002526 722248627 /nfs/dbraw/zinc/24/86/27/722248627.db2.gz ZYIOKUKHNONCAD-GOSISDBHSA-N 0 0 446.281 4.038 20 0 IIADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1cnc(Cl)cc1Cl)CCO2 ZINC001165001403 722248677 /nfs/dbraw/zinc/24/86/77/722248677.db2.gz PWUMOOYITUHJFB-GOSISDBHSA-N 0 0 446.281 4.038 20 0 IIADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1ccnc(Cl)c1Cl)CCO2 ZINC001165002527 722248852 /nfs/dbraw/zinc/24/88/52/722248852.db2.gz ZYIOKUKHNONCAD-SFHVURJKSA-N 0 0 446.281 4.038 20 0 IIADRN C[C@@H]1CN(C(F)(F)c2cccc(Cl)n2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007155 722273474 /nfs/dbraw/zinc/27/34/74/722273474.db2.gz BKSDFSYFFRLUIJ-KKVAFCGZSA-N 0 0 436.890 4.078 20 0 IIADRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123268813 939817972 /nfs/dbraw/zinc/81/79/72/939817972.db2.gz UFMSBENQDTWNLO-ZHRRBRCNSA-N 0 0 432.973 4.056 20 0 IIADRN COc1ccc(Br)c(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])c1 ZINC000426714051 1126081487 /nfs/dbraw/zinc/08/14/87/1126081487.db2.gz BJRLCYQHUSVKFL-INIZCTEOSA-N 0 0 443.135 4.006 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1ccc(Br)o1 ZINC000426714778 1126081558 /nfs/dbraw/zinc/08/15/58/1126081558.db2.gz FLGSAJFAJQLXBK-CYBMUJFWSA-N 0 0 442.107 4.071 20 0 IIADRN Cc1nc(COc2ccc(C[NH2+][C@H](Cc3cc(Cl)cc(Cl)c3)C(=O)[O-])cc2)no1 ZINC000426737650 1126085211 /nfs/dbraw/zinc/08/52/11/1126085211.db2.gz OYJQJECAPOOHRB-GOSISDBHSA-N 0 0 436.295 4.049 20 0 IIADRN CC1(C)Cc2cccc(C[NH2+][C@@H](Cc3c[nH]c4cccc(Br)c34)C(=O)[O-])c2O1 ZINC000426758925 1126088435 /nfs/dbraw/zinc/08/84/35/1126088435.db2.gz URIVFALTFIDKPK-SFHVURJKSA-N 0 0 443.341 4.429 20 0 IIADRN O=C([O-])[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000426759756 1126088578 /nfs/dbraw/zinc/08/85/78/1126088578.db2.gz OKAPWBRJIKUZLG-QGZVFWFLSA-N 0 0 441.812 4.469 20 0 IIADRN O=C([O-])[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000426759755 1126088603 /nfs/dbraw/zinc/08/86/03/1126088603.db2.gz OKAPWBRJIKUZLG-KRWDZBQOSA-N 0 0 441.812 4.469 20 0 IIADRN COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000426763968 1126089130 /nfs/dbraw/zinc/08/91/30/1126089130.db2.gz UXJVNIYDQMRCNE-HXUWFJFHSA-N 0 0 441.325 4.305 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000426775292 1126089962 /nfs/dbraw/zinc/08/99/62/1126089962.db2.gz AGZPWDWGUJUSRP-QGZVFWFLSA-N 0 0 433.382 4.480 20 0 IIADRN Cc1cc(C)n(C[C@@H]([NH2+]Cc2ccc(Oc3cccc(Br)c3)cc2)C(=O)[O-])n1 ZINC000426745890 1126086260 /nfs/dbraw/zinc/08/62/60/1126086260.db2.gz WIGXZAYGUOUWHL-HXUWFJFHSA-N 0 0 444.329 4.298 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000426752836 1126087484 /nfs/dbraw/zinc/08/74/84/1126087484.db2.gz FPKDTQKFPSMTAM-INIZCTEOSA-N 0 0 432.236 4.176 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000426753786 1126087640 /nfs/dbraw/zinc/08/76/40/1126087640.db2.gz LAMVJPKCMHNWBD-INIZCTEOSA-N 0 0 440.721 4.049 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000426754312 1126087735 /nfs/dbraw/zinc/08/77/35/1126087735.db2.gz PHEOGFVCJBJXEG-MRXNPFEDSA-N 0 0 439.256 4.317 20 0 IIADRN Cc1cc(C)cc(C[C@H]([NH2+]Cc2ccc(OC(F)F)c(Br)c2)C(=O)[O-])c1 ZINC000426807445 1126091440 /nfs/dbraw/zinc/09/14/40/1126091440.db2.gz HVFLUYRSYCXOHZ-INIZCTEOSA-N 0 0 428.273 4.453 20 0 IIADRN O=C([O-])[C@H](Cn1cc(Cl)cn1)[NH2+]Cc1sc(Sc2ccccc2)nc1Cl ZINC001321925815 1126172181 /nfs/dbraw/zinc/17/21/81/1126172181.db2.gz WTAKPFCYXRRWSS-LBPRGKRZSA-N 0 0 429.354 4.041 20 0 IIADRN CC(=O)N(c1nc(CN[C@](C)(CO)Cc2ccccc2F)cs1)c1ccc(C)cc1 ZINC001473840115 1126200416 /nfs/dbraw/zinc/20/04/16/1126200416.db2.gz QUDLVLADNAKANF-QHCPKHFHSA-N 0 0 427.545 4.359 20 0 IIADRN O=c1nc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)[nH]c2scc(-c3ccco3)c21 ZINC001560100001 1126207417 /nfs/dbraw/zinc/20/74/17/1126207417.db2.gz CAVMBVVTPVDZAH-KSSFIOAISA-N 0 0 449.454 4.281 20 0 IIADRN COc1ccc(C)cc1-n1c2nnc(S[C@@H]3CCCCCC3=O)n2c2ccccc2c1=O ZINC000012521875 523799659 /nfs/dbraw/zinc/79/96/59/523799659.db2.gz ZVUYNWRZUGVRTB-OAQYLSRUSA-N 0 0 448.548 4.344 20 0 IIADRN COc1ccccc1C(=O)CSc1nnc2n1c1ccccc1c(=O)n2CCC(C)C ZINC000012521826 524337435 /nfs/dbraw/zinc/33/74/35/524337435.db2.gz HOBDMAJBFMXVLZ-UHFFFAOYSA-N 0 0 436.537 4.074 20 0 IIADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCc3cccc(Cl)c3)CC2)c(C)c1 ZINC000017797314 563022083 /nfs/dbraw/zinc/02/20/83/563022083.db2.gz XFUOPPYKNSFNNL-UHFFFAOYSA-N 0 0 449.016 4.025 20 0 IIADRN O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000095585224 563188810 /nfs/dbraw/zinc/18/88/10/563188810.db2.gz BHDPTZJUOQAOEE-UHFFFAOYSA-N 0 0 446.322 4.323 20 0 IIADRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164432010 718978159 /nfs/dbraw/zinc/97/81/59/718978159.db2.gz DQEGOYHCUUPMEI-ABAIWWIYSA-N 0 0 429.678 4.135 20 0 IIADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164432013 718978726 /nfs/dbraw/zinc/97/87/26/718978726.db2.gz DQEGOYHCUUPMEI-XHDPSFHLSA-N 0 0 429.678 4.135 20 0 IIADRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164433459 718982381 /nfs/dbraw/zinc/98/23/81/718982381.db2.gz LMYCRDZBGCSLFC-APWZRJJASA-N 0 0 426.847 4.088 20 0 IIADRN CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)CC2)CC1 ZINC001164617941 719035567 /nfs/dbraw/zinc/03/55/67/719035567.db2.gz PUVVSODUKJFSJE-UHFFFAOYSA-N 0 0 441.950 4.099 20 0 IIADRN CCOC(=O)[C@]12C[C@H]1CCN2C(F)(F)c1cnc(Cl)nc1-c1cn(C)c2ccccc12 ZINC001164622400 719040588 /nfs/dbraw/zinc/04/05/88/719040588.db2.gz KUAQBUXLONCJHL-ASSNKEHSSA-N 0 0 446.885 4.366 20 0 IIADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164650660 719291903 /nfs/dbraw/zinc/29/19/03/719291903.db2.gz ZOYHJAHDGLYAKS-NUJGCVRESA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164645828 719294295 /nfs/dbraw/zinc/29/42/95/719294295.db2.gz MCCOZJQZNZULEA-MDZRGWNJSA-N 0 0 434.874 4.109 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)C[C@H]2CCCO[C@@H]21 ZINC001164647304 719304309 /nfs/dbraw/zinc/30/43/09/719304309.db2.gz DKMMBNODZDDHDL-ZTNFWEORSA-N 0 0 435.902 4.039 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164648181 719311346 /nfs/dbraw/zinc/31/13/46/719311346.db2.gz GBSGLOWSBLINNY-UHFFFAOYSA-N 0 0 440.979 4.111 20 0 IIADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)C[C@H]2CCCO[C@H]21 ZINC001164653336 719324783 /nfs/dbraw/zinc/32/47/83/719324783.db2.gz HNXMBHQPRDURIH-OZOXKJRCSA-N 0 0 449.929 4.333 20 0 IIADRN COC(=O)c1ccc(C(F)(F)N2CCO[C@@H]3[C@@H](OCC4CCCC4)CC[C@@H]32)nc1Cl ZINC001164662763 719342595 /nfs/dbraw/zinc/34/25/95/719342595.db2.gz RPPGTQJMSDZUAC-BQFCYCMXSA-N 0 0 444.906 4.010 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001164662068 719343494 /nfs/dbraw/zinc/34/34/94/719343494.db2.gz MYHONEOJYFKPMT-FCEWJHQRSA-N 0 0 438.906 4.166 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(F)nc(F)nc1Cl)CC2 ZINC001164659606 719353510 /nfs/dbraw/zinc/35/35/10/719353510.db2.gz RGICXIAJOUOBMK-UHFFFAOYSA-N 0 0 444.917 4.103 20 0 IIADRN CCc1c(Cl)ncnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CCN2CC ZINC001164660664 719354806 /nfs/dbraw/zinc/35/48/06/719354806.db2.gz WQUSZUHJUQSCES-UHFFFAOYSA-N 0 0 436.991 4.387 20 0 IIADRN CCCN(CCC)c1cncc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1 ZINC001164674057 719517602 /nfs/dbraw/zinc/51/76/02/719517602.db2.gz ZLQUQGJCSRYJIZ-UHFFFAOYSA-N 0 0 441.595 4.114 20 0 IIADRN COc1cccc(-c2ccc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)nn2)c1 ZINC001164673342 719522921 /nfs/dbraw/zinc/52/29/21/719522921.db2.gz PFDOCMOOKFTEGS-UHFFFAOYSA-N 0 0 448.542 4.163 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2cncc(OCC4CCCC4)n2)CC3)cc1 ZINC001164677271 719530926 /nfs/dbraw/zinc/53/09/26/719530926.db2.gz CEEYEADYJWAGFW-UHFFFAOYSA-N 0 0 440.563 4.056 20 0 IIADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2ccc3ccc(Cl)nc3c2)N1Cc1cccnc1 ZINC001164690694 719766177 /nfs/dbraw/zinc/76/61/77/719766177.db2.gz HCMFDFGOVRANRW-RBUKOAKNSA-N 0 0 428.870 4.208 20 0 IIADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2ccc3c(ccnc3Cl)c2)N1Cc1cccnc1 ZINC001164691107 719773213 /nfs/dbraw/zinc/77/32/13/719773213.db2.gz LOQRPJQRDALDMO-OALUTQOASA-N 0 0 428.870 4.208 20 0 IIADRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001164693677 719786621 /nfs/dbraw/zinc/78/66/21/719786621.db2.gz CQTVNBDOKMEGDV-UHFFFAOYSA-N 0 0 434.874 4.464 20 0 IIADRN Clc1cc(-c2ccncc2)nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164707703 719906140 /nfs/dbraw/zinc/90/61/40/719906140.db2.gz VMQBXRICDROCRL-UHFFFAOYSA-N 0 0 441.988 4.125 20 0 IIADRN Cc1noc([C@@]23COC[C@H]2CN(C(F)(F)c2ccc(-c4ccnc(Cl)c4)cc2)C3)n1 ZINC001164805479 720055744 /nfs/dbraw/zinc/05/57/44/720055744.db2.gz OORFUAIBNXCUGT-XLIONFOSSA-N 0 0 432.858 4.043 20 0 IIADRN Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)cn1 ZINC001164710967 720077842 /nfs/dbraw/zinc/07/78/42/720077842.db2.gz LDMQMIPOWXNQRG-HZPDHXFCSA-N 0 0 449.914 4.126 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(Cl)c2)cs1 ZINC001164815141 720251173 /nfs/dbraw/zinc/25/11/73/720251173.db2.gz BCLIRTBPNSEHDD-KGLIPLIRSA-N 0 0 447.338 4.468 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)ccc2C)cs1 ZINC001164815632 720255440 /nfs/dbraw/zinc/25/54/40/720255440.db2.gz CXIOAAFXZWJMJP-CABCVRRESA-N 0 0 426.920 4.123 20 0 IIADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccnc(Cl)c2)C3)c1 ZINC001164731163 720490413 /nfs/dbraw/zinc/49/04/13/720490413.db2.gz WHBSBMZEIJBXIC-FOIQADDNSA-N 0 0 441.881 4.143 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)CC[C@@H]21)N1CCCCC1 ZINC001164832218 720497108 /nfs/dbraw/zinc/49/71/08/720497108.db2.gz JGPZUWIBEJXGDJ-BPUTZDHNSA-N 0 0 448.341 4.177 20 0 IIADRN Fc1ccc(C(F)(F)N2CCO[C@@]3(CCC[C@H]3COc3ccccn3)C2)nc1Cl ZINC001164734664 720537844 /nfs/dbraw/zinc/53/78/44/720537844.db2.gz JXKMKAFVVAPQMS-LIRRHRJNSA-N 0 0 427.854 4.269 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164736399 720538407 /nfs/dbraw/zinc/53/84/07/720538407.db2.gz XOZDYEJWVPXFNT-AUUYWEPGSA-N 0 0 427.854 4.269 20 0 IIADRN Fc1cc(C(F)(F)N2CCO[C@@]3(CCC[C@H]3COc3ccccn3)C2)cnc1Cl ZINC001164734672 720538441 /nfs/dbraw/zinc/53/84/41/720538441.db2.gz KDRLOOSHZVDHEI-LIRRHRJNSA-N 0 0 427.854 4.269 20 0 IIADRN Clc1ccc(CN2CCCC2)c(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)n1 ZINC001164845093 720774793 /nfs/dbraw/zinc/77/47/93/720774793.db2.gz DNYUJWPNUQUIBQ-FKBYEOEOSA-N 0 0 442.991 4.069 20 0 IIADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4nc(C)c(C)c(Cl)n4)C3)C2=O)c1 ZINC001164855624 720807849 /nfs/dbraw/zinc/80/78/49/720807849.db2.gz XJWLGDFASLVVKC-OAQYLSRUSA-N 0 0 434.918 4.229 20 0 IIADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3ccc(Cl)nc3Cl)C2)CC1 ZINC001164857760 720893735 /nfs/dbraw/zinc/89/37/35/720893735.db2.gz JPSPPDVFIWQWDK-UHFFFAOYSA-N 0 0 441.309 4.461 20 0 IIADRN Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)cc(Cl)n1 ZINC001164860852 720897287 /nfs/dbraw/zinc/89/72/87/720897287.db2.gz VKGPFTGHLNEZNC-NQIIRXRSSA-N 0 0 435.902 4.146 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)n1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164760031 721026078 /nfs/dbraw/zinc/02/60/78/721026078.db2.gz NJVLAORRJPNILJ-KSSFIOAISA-N 0 0 445.297 4.068 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(Cl)c2)n1 ZINC001164770913 721050444 /nfs/dbraw/zinc/05/04/44/721050444.db2.gz LEUMQWWNDLKLAG-GJZGRUSLSA-N 0 0 427.282 4.017 20 0 IIADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164871207 721217391 /nfs/dbraw/zinc/21/73/91/721217391.db2.gz JCBKAKQNVHDLOJ-UHFFFAOYSA-N 0 0 429.298 4.204 20 0 IIADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164872834 721245305 /nfs/dbraw/zinc/24/53/05/721245305.db2.gz GGSJFXMEFJSPHM-IPELMVKDSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164875077 721247522 /nfs/dbraw/zinc/24/75/22/721247522.db2.gz LVPJYSNCAXGQTF-UXPWSPDFSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164876045 721249402 /nfs/dbraw/zinc/24/94/02/721249402.db2.gz NFLFBJNBZYOCRV-HOJAQTOUSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001164767013 721267787 /nfs/dbraw/zinc/26/77/87/721267787.db2.gz PXXDBCAYLDNRSP-MOPGFXCFSA-N 0 0 449.933 4.212 20 0 IIADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164763704 721272402 /nfs/dbraw/zinc/27/24/02/721272402.db2.gz FGQCLSAHSIFRTP-ZDUSSCGKSA-N 0 0 440.281 4.240 20 0 IIADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164770643 721275396 /nfs/dbraw/zinc/27/53/96/721275396.db2.gz VQEYTNPFZNQREU-CQSZACIVSA-N 0 0 444.873 4.068 20 0 IIADRN FC(F)(N1Cc2cncn2C[C@@H](COc2cccnc2)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164767112 721276646 /nfs/dbraw/zinc/27/66/46/721276646.db2.gz GLJRQJIUTBGDFI-MRXNPFEDSA-N 0 0 445.901 4.162 20 0 IIADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164874101 721310713 /nfs/dbraw/zinc/31/07/13/721310713.db2.gz BFZVKGHADMCTDO-DAXOMENPSA-N 0 0 430.282 4.391 20 0 IIADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164873155 721312970 /nfs/dbraw/zinc/31/29/70/721312970.db2.gz ALPXGKUMAXNXQV-ZOCIIQOWSA-N 0 0 446.885 4.286 20 0 IIADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164878903 721314031 /nfs/dbraw/zinc/31/40/31/721314031.db2.gz LWNIALCMIGXAJZ-FSPWUOQZSA-N 0 0 436.890 4.010 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164879952 721316589 /nfs/dbraw/zinc/31/65/89/721316589.db2.gz UPOIHYQTFYIHMG-CQSZACIVSA-N 0 0 426.294 4.434 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)CC2 ZINC001164879346 721319257 /nfs/dbraw/zinc/31/92/57/721319257.db2.gz RVACUAJIBTUXRQ-HNNXBMFYSA-N 0 0 442.293 4.313 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc4ccccc4nc3Cl)C2)C1 ZINC001164776391 721344636 /nfs/dbraw/zinc/34/46/36/721344636.db2.gz AYQLZZZBCVSMQK-HSZRJFAPSA-N 0 0 441.963 4.007 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(Cl)ccc3Cl)C2)C1 ZINC001164777432 721344982 /nfs/dbraw/zinc/34/49/82/721344982.db2.gz GYZGNYAGSTVKHA-HXUWFJFHSA-N 0 0 425.360 4.112 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc4nccc(Cl)c4cn3)C2)C1 ZINC001164780009 721348139 /nfs/dbraw/zinc/34/81/39/721348139.db2.gz YGJQZJRXLJMMSY-QHCPKHFHSA-N 0 0 441.963 4.007 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncc4ccc(Cl)cc4n3)C2)C1 ZINC001164782966 721354081 /nfs/dbraw/zinc/35/40/81/721354081.db2.gz OIGGDZXVIPUCMC-QHCPKHFHSA-N 0 0 441.963 4.007 20 0 IIADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2nc(Cl)c3cccc(F)c3n2)N1c1ccsc1 ZINC001164885190 721355081 /nfs/dbraw/zinc/35/50/81/721355081.db2.gz XKPXSQVYPPSEMZ-KBPBESRZSA-N 0 0 438.862 4.413 20 0 IIADRN CS(=O)(=O)N1CCCC[C@]12CCCN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001164894655 721375795 /nfs/dbraw/zinc/37/57/95/721375795.db2.gz ZXDWMEVHRHIOLT-LJQANCHMSA-N 0 0 443.947 4.218 20 0 IIADRN CS(=O)(=O)N1CCCC[C@@]12CCCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164889372 721376004 /nfs/dbraw/zinc/37/60/04/721376004.db2.gz YQMVHUAGXZUNRH-IBGZPJMESA-N 0 0 443.947 4.218 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164782423 721383742 /nfs/dbraw/zinc/38/37/42/721383742.db2.gz LRCDTQJVOJRTST-FXAWDEMLSA-N 0 0 439.890 4.147 20 0 IIADRN Fc1cc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)cnc1Cl ZINC001164779316 721384377 /nfs/dbraw/zinc/38/43/77/721384377.db2.gz AHDGHSBBPQKMOW-OXJNMPFZSA-N 0 0 441.881 4.406 20 0 IIADRN c1csc(CN2C[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C[C@@H]3C2)n1 ZINC001164787208 721421817 /nfs/dbraw/zinc/42/18/17/721421817.db2.gz PRHRPLSQAADICT-SZPZYZBQSA-N 0 0 448.592 4.209 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1CCc2ncn(C)c2[C@H]1COCc1cccnc1 ZINC001164783014 721441447 /nfs/dbraw/zinc/44/14/47/721441447.db2.gz KYSNKEZUFMJGEQ-GOSISDBHSA-N 0 0 433.890 4.037 20 0 IIADRN O=C(NCC1CC1)[C@@H]1C[C@H]2[C@@H](CCN2C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)O1 ZINC001164887386 721455575 /nfs/dbraw/zinc/45/55/75/721455575.db2.gz JWMAZXJOVWLLMI-ZCNNSNEGSA-N 0 0 447.913 4.209 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)CC[C@H]21 ZINC001164892457 721466904 /nfs/dbraw/zinc/46/69/04/721466904.db2.gz QNTQBKJYJNKGIR-PERKRYKHSA-N 0 0 432.927 4.008 20 0 IIADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc(Cl)nc(Cl)c1 ZINC001164895151 721474669 /nfs/dbraw/zinc/47/46/69/721474669.db2.gz RDZVXXPYEJCBAY-LJQANCHMSA-N 0 0 441.309 4.490 20 0 IIADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1c[nH]c2nc(Cl)ccc12 ZINC001164891169 721475050 /nfs/dbraw/zinc/47/50/50/721475050.db2.gz BLIVLQTWRJJGBB-NRFANRHFSA-N 0 0 445.901 4.318 20 0 IIADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001164891124 721476083 /nfs/dbraw/zinc/47/60/83/721476083.db2.gz AZZPLXNLTCAKNX-OAQYLSRUSA-N 0 0 446.929 4.412 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)c2cc(Cl)nc(-c3ccccc3)n2)Cc2cnn(C)c21 ZINC001164793665 721477207 /nfs/dbraw/zinc/47/72/07/721477207.db2.gz XMNPTXZNBVPZBD-MRXNPFEDSA-N 0 0 433.890 4.216 20 0 IIADRN Fc1cccnc1OC[C@@]12COC[C@H]1CN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164793199 721486899 /nfs/dbraw/zinc/48/68/99/721486899.db2.gz PEEHKVZIAZJBGW-QVKFZJNVSA-N 0 0 449.860 4.499 20 0 IIADRN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1C[C@@H]2CCC[C@H](OCC3CC3)[C@H]2C1 ZINC001164899116 721499665 /nfs/dbraw/zinc/49/96/65/721499665.db2.gz WVOZNSJXERVBMR-IHRRRGAJSA-N 0 0 428.936 4.402 20 0 IIADRN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@@H]3C2)cnc1Cl ZINC001164899236 721499964 /nfs/dbraw/zinc/49/99/64/721499964.db2.gz XSKRKJOTMJIMMH-USXIJHARSA-N 0 0 448.963 4.105 20 0 IIADRN COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@]3(COc3ccccn3)C2)nc1Cl ZINC001164795603 721505511 /nfs/dbraw/zinc/50/55/11/721505511.db2.gz MNMHBHVGUINJLW-VBKZILBWSA-N 0 0 437.874 4.147 20 0 IIADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164796596 721505659 /nfs/dbraw/zinc/50/56/59/721505659.db2.gz SWRQZPVBPLOCMM-VBKZILBWSA-N 0 0 437.874 4.147 20 0 IIADRN O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164897203 721505743 /nfs/dbraw/zinc/50/57/43/721505743.db2.gz KJETVWFYFNYOFM-GOSISDBHSA-N 0 0 432.902 4.195 20 0 IIADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1C[C@@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164794943 721506289 /nfs/dbraw/zinc/50/62/89/721506289.db2.gz GINBHWVPRVRJDB-SCLBCKFNSA-N 0 0 429.298 4.495 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)cnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164802560 721531495 /nfs/dbraw/zinc/53/14/95/721531495.db2.gz HAFXZUXRZBZJCO-KZNAEPCWSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc3ccc(Cl)cc3nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164799890 721546259 /nfs/dbraw/zinc/54/62/59/721546259.db2.gz BRCDLOLOOJVEHH-XUVXKRRUSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(Cl)c32)[C@H]2CCCO[C@H]12 ZINC001164802291 721554012 /nfs/dbraw/zinc/55/40/12/721554012.db2.gz IAAYIBKBWJTPCO-NSHGMRRFSA-N 0 0 444.366 4.200 20 0 IIADRN CN(C)C(=O)[C@H]1CC12CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164909205 721569758 /nfs/dbraw/zinc/56/97/58/721569758.db2.gz SVZNBALZCFIELO-CYBMUJFWSA-N 0 0 429.298 4.176 20 0 IIADRN Cc1cccc(-c2cc(C(F)(F)N3CCC4(C[C@@H]4C(=O)N(C)C)CC3)c(Cl)nn2)c1 ZINC001164900772 721571610 /nfs/dbraw/zinc/57/16/10/721571610.db2.gz AEBDQBOJMXFNKV-QGZVFWFLSA-N 0 0 434.918 4.345 20 0 IIADRN Cc1nc2sc3c(c2c(N2C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]42)n1)CCCC3 ZINC001164807320 721576322 /nfs/dbraw/zinc/57/63/22/721576322.db2.gz SRNXQMFTABYQSG-JTAQYXEDSA-N 0 0 449.624 4.142 20 0 IIADRN FC(F)(c1cccc2c(Cl)nccc21)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001164905155 721580095 /nfs/dbraw/zinc/58/00/95/721580095.db2.gz TUASKWPJSPATBE-OAQYLSRUSA-N 0 0 445.901 4.099 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccc(Cl)cc32)[C@H]2CCCO[C@@H]12 ZINC001164808184 721585695 /nfs/dbraw/zinc/58/56/95/721585695.db2.gz QAHZCERJVZRPGL-XUVXKRRUSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CCCCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164806288 721589214 /nfs/dbraw/zinc/58/92/14/721589214.db2.gz MUNOCBFQZKPDCG-QZNHQXDQSA-N 0 0 442.007 4.441 20 0 IIADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164797809 721600071 /nfs/dbraw/zinc/60/00/71/721600071.db2.gz CGFPSURFZVZTNV-UHFFFAOYSA-N 0 0 445.901 4.485 20 0 IIADRN FC(F)(Oc1ccnc(Cl)c1)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164802683 721604155 /nfs/dbraw/zinc/60/41/55/721604155.db2.gz SPZPAZAOKXOJEO-MRXNPFEDSA-N 0 0 439.890 4.257 20 0 IIADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164803813 721607443 /nfs/dbraw/zinc/60/74/43/721607443.db2.gz KMRLMDPEVGGRST-NQIIRXRSSA-N 0 0 448.901 4.084 20 0 IIADRN Cc1cc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc(-c2ccncc2)n1 ZINC001164912554 721759951 /nfs/dbraw/zinc/75/99/51/721759951.db2.gz ZMZTZHXWOFNSHN-UHFFFAOYSA-N 0 0 426.524 4.030 20 0 IIADRN COc1ccc(-c2cc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)ncn2)cc1 ZINC001164912207 721762182 /nfs/dbraw/zinc/76/21/82/721762182.db2.gz VIYJRAMYJCHJCD-UHFFFAOYSA-N 0 0 441.535 4.335 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3cccc(F)c3)nn1)C2 ZINC001164911146 721762797 /nfs/dbraw/zinc/76/27/97/721762797.db2.gz NAXUZXQPVCFIEI-UHFFFAOYSA-N 0 0 429.499 4.465 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3nc4ccsc4c(Cl)n3)[C@@H]2C1 ZINC001165014539 721769586 /nfs/dbraw/zinc/76/95/86/721769586.db2.gz DEQZBZFOIIRIDJ-DGCLKSJQSA-N 0 0 438.887 4.224 20 0 IIADRN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCc2ncnc(C3CC3)c2CC1 ZINC001164916220 721804087 /nfs/dbraw/zinc/80/40/87/721804087.db2.gz OUJZTDLXKXXHIP-UHFFFAOYSA-N 0 0 428.874 4.010 20 0 IIADRN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCc2ncnc(C3CC3)c2CC1 ZINC001164915801 721804113 /nfs/dbraw/zinc/80/41/13/721804113.db2.gz LEJOSCCBQDCZCM-UHFFFAOYSA-N 0 0 428.874 4.010 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164915948 721805242 /nfs/dbraw/zinc/80/52/42/721805242.db2.gz MRSKXAOEPGXAHN-OXJNMPFZSA-N 0 0 432.858 4.040 20 0 IIADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164916561 721805591 /nfs/dbraw/zinc/80/55/91/721805591.db2.gz QWYLGTCNKRQIIL-JXFKEZNVSA-N 0 0 432.858 4.040 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(c2nnc(-c3ccc(F)cc3)c3ccccc32)CC1 ZINC001164918259 721819552 /nfs/dbraw/zinc/81/95/52/721819552.db2.gz LGPIFBYUIFOUSZ-UHFFFAOYSA-N 0 0 442.542 4.382 20 0 IIADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)CC2 ZINC001165020984 721832457 /nfs/dbraw/zinc/83/24/57/721832457.db2.gz HFUSWMABTMDHCD-UHFFFAOYSA-N 0 0 432.833 4.458 20 0 IIADRN CCOC(=O)C1(F)CCN(C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)CC1 ZINC001165019152 721835278 /nfs/dbraw/zinc/83/52/78/721835278.db2.gz WMMGTYLFKZJUHV-UHFFFAOYSA-N 0 0 431.817 4.353 20 0 IIADRN CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164926114 721837180 /nfs/dbraw/zinc/83/71/80/721837180.db2.gz QDLQZRIWIPFNPU-UWJYYQICSA-N 0 0 449.933 4.212 20 0 IIADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCN(CCOc2ccccc2)CC1 ZINC001165045541 721960696 /nfs/dbraw/zinc/96/06/96/721960696.db2.gz XILGBKLNMQUFFV-QHCPKHFHSA-N 0 0 442.922 4.126 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3c(Cl)ccc4ccc(Cl)nc43)C[C@@H]21 ZINC001164948408 721962203 /nfs/dbraw/zinc/96/22/03/721962203.db2.gz UPHMNBLKUQTIOC-ZWKOTPCHSA-N 0 0 433.339 4.236 20 0 IIADRN Cc1cc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)nc2cc(Cl)ccc12 ZINC001164948227 721976465 /nfs/dbraw/zinc/97/64/65/721976465.db2.gz VOLPOIKKZVOEMQ-UHFFFAOYSA-N 0 0 434.971 4.168 20 0 IIADRN COC[C@]12COC[C@H]1CN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164953355 721993609 /nfs/dbraw/zinc/99/36/09/721993609.db2.gz RRUKIOGJZFEBFA-JDNHERCYSA-N 0 0 438.689 4.234 20 0 IIADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1cc(C)nnc1Cl)C2 ZINC001164953466 722006583 /nfs/dbraw/zinc/00/65/83/722006583.db2.gz QULYZFGRPNSKCD-UHFFFAOYSA-N 0 0 430.890 4.109 20 0 IIADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN([C@@H](F)Oc2ccnc(Cl)c2)C3)n1 ZINC001164964015 722026294 /nfs/dbraw/zinc/02/62/94/722026294.db2.gz UYTXENGGRREZKC-KSEOMHKRSA-N 0 0 435.927 4.158 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1ccc(Cl)nc1Cl ZINC001164962702 722027873 /nfs/dbraw/zinc/02/78/73/722027873.db2.gz REXWXSYPFLLNFN-GUTXKFCHSA-N 0 0 434.245 4.283 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cc(Cl)nc(Cl)c1 ZINC001164959939 722027998 /nfs/dbraw/zinc/02/79/98/722027998.db2.gz JQWNYKDDTMNVCC-ZENOOKHLSA-N 0 0 434.245 4.283 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cnc(Cl)cc1Cl ZINC001164963428 722028173 /nfs/dbraw/zinc/02/81/73/722028173.db2.gz SYIACLNPWVIMJQ-SQWLQELKSA-N 0 0 434.245 4.283 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3Oc2ncccc2F)c1 ZINC001164960892 722029443 /nfs/dbraw/zinc/02/94/43/722029443.db2.gz UYGBWQUOLZRIGQ-PMPSAXMXSA-N 0 0 445.894 4.351 20 0 IIADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C[C@@H]3O2)n1 ZINC001164964911 722041751 /nfs/dbraw/zinc/04/17/51/722041751.db2.gz WEFQUDUCHLJZJU-AUTRQRHGSA-N 0 0 439.677 4.115 20 0 IIADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C[C@@H]3O2)n1 ZINC001164959128 722043324 /nfs/dbraw/zinc/04/33/24/722043324.db2.gz HHHHLLVOKYVBHR-DEYYWGMASA-N 0 0 438.906 4.077 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C[C@H]21 ZINC001164956611 722047688 /nfs/dbraw/zinc/04/76/88/722047688.db2.gz BTFYADCJAKPOCM-JKSUJKDBSA-N 0 0 444.869 4.286 20 0 IIADRN FC(F)(c1cnnc(Cl)c1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164958187 722049754 /nfs/dbraw/zinc/04/97/54/722049754.db2.gz MJSUJSWRYXFSFO-UHFFFAOYSA-N 0 0 441.873 4.164 20 0 IIADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001164959471 722050651 /nfs/dbraw/zinc/05/06/51/722050651.db2.gz KPJFUECBGSJKJR-UHFFFAOYSA-N 0 0 442.857 4.137 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN([C@H](F)Oc2ccnc(Cl)c2)[C@H]3C)c1 ZINC001164965896 722062993 /nfs/dbraw/zinc/06/29/93/722062993.db2.gz MFHXHSQJMPAFGQ-BTYIYWSLSA-N 0 0 431.899 4.060 20 0 IIADRN O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccc2c(Cl)nccc2c1 ZINC001164966846 722065623 /nfs/dbraw/zinc/06/56/23/722065623.db2.gz XVAGKAQWDAQMBI-IRXDYDNUSA-N 0 0 434.899 4.383 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1CCc2nc(C(=O)NCC(C)C)sc2CC1 ZINC001164966170 722066583 /nfs/dbraw/zinc/06/65/83/722066583.db2.gz WOKOISWSUZUDBY-UHFFFAOYSA-N 0 0 428.936 4.036 20 0 IIADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164971853 722091894 /nfs/dbraw/zinc/09/18/94/722091894.db2.gz FPQGBKDTKQGCJI-INIZCTEOSA-N 0 0 438.950 4.465 20 0 IIADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001164972305 722091897 /nfs/dbraw/zinc/09/18/97/722091897.db2.gz FQWRDPGLIPTVPX-OAHLLOKOSA-N 0 0 438.950 4.077 20 0 IIADRN CN1c2ccccc2[C@@]2(CCN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C2)C1=O ZINC001164981675 722162733 /nfs/dbraw/zinc/16/27/33/722162733.db2.gz RWBIDPSKPYUCLP-PKTZIBPZSA-N 0 0 438.890 4.049 20 0 IIADRN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164973505 722165207 /nfs/dbraw/zinc/16/52/07/722165207.db2.gz BOPVVQNWAOYOSN-KDOFPFPSSA-N 0 0 433.952 4.298 20 0 IIADRN CN(C)c1cc(C(F)(F)N2CCC[C@]3(C[C@@H](OCC4CCCC4)CO3)C2)nc(Cl)n1 ZINC001164979015 722166188 /nfs/dbraw/zinc/16/61/88/722166188.db2.gz SWUVMJHGELXQIE-UZLBHIALSA-N 0 0 444.954 4.076 20 0 IIADRN CSc1nc2ccsc2c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1 ZINC001164991144 722180567 /nfs/dbraw/zinc/18/05/67/722180567.db2.gz OUUWDUPDJYVOQG-DLBZAZTESA-N 0 0 447.655 4.048 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(F)c4)CC[C@H]32)cs1 ZINC001164985962 722180863 /nfs/dbraw/zinc/18/08/63/722180863.db2.gz CTOLBZBFDQCGDV-IAGOWNOFSA-N 0 0 446.926 4.054 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)nc5sc(C)c(C)c54)CC[C@H]32)cs1 ZINC001164989837 722181190 /nfs/dbraw/zinc/18/11/90/722181190.db2.gz MIWBOACPHJWGCE-RTBURBONSA-N 0 0 443.642 4.251 20 0 IIADRN CSc1cc(Cl)cnc1N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@@H]2CC1 ZINC001164991866 722184736 /nfs/dbraw/zinc/18/47/36/722184736.db2.gz VCOQMRBIPXPQGE-IAGOWNOFSA-N 0 0 425.023 4.092 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(-c5cccc(C)c5)nn4)CC[C@H]32)cs1 ZINC001164986128 722185275 /nfs/dbraw/zinc/18/52/75/722185275.db2.gz DEZMLRMTCGTTNY-DHIUTWEWSA-N 0 0 435.597 4.087 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(-c5cccc(C)c5)nn4)CC[C@@H]32)cs1 ZINC001164986131 722185279 /nfs/dbraw/zinc/18/52/79/722185279.db2.gz DEZMLRMTCGTTNY-GOTSBHOMSA-N 0 0 435.597 4.087 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5ccc(C(C)C)cc54)CC[C@H]32)cs1 ZINC001164989066 722185370 /nfs/dbraw/zinc/18/53/70/722185370.db2.gz OEIMFQSQHNRPIB-DHIUTWEWSA-N 0 0 437.613 4.388 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(C)nc(-c5ccsc5)n4)CC[C@H]32)cs1 ZINC001164985312 722185732 /nfs/dbraw/zinc/18/57/32/722185732.db2.gz BDCANYDUKWCTQC-UXHICEINSA-N 0 0 441.626 4.148 20 0 IIADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)[C@@H]2C1 ZINC001164994661 722214462 /nfs/dbraw/zinc/21/44/62/722214462.db2.gz CGFFMPFVTMKPSF-DFQSSKMNSA-N 0 0 449.929 4.455 20 0 IIADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)[C@H]2C1 ZINC001164997791 722217528 /nfs/dbraw/zinc/21/75/28/722217528.db2.gz RSKSSZWKJCOPFN-QANKJYHBSA-N 0 0 439.890 4.048 20 0 IIADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3cnc(Cl)cn3)CC2)c2ccccc21 ZINC001164997968 722220640 /nfs/dbraw/zinc/22/06/40/722220640.db2.gz FITTZJAVERZAGO-UHFFFAOYSA-N 0 0 444.913 4.136 20 0 IIADRN Nc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@H]2c1ccccc1 ZINC001164999023 722221285 /nfs/dbraw/zinc/22/12/85/722221285.db2.gz NWCISXYLWABQIE-FQEVSTJZSA-N 0 0 446.929 4.442 20 0 IIADRN C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576633 939136925 /nfs/dbraw/zinc/13/69/25/939136925.db2.gz BTKJTQWZKAXGTR-DFQSSKMNSA-N 0 0 449.473 4.213 20 0 IIADRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001123267481 939816680 /nfs/dbraw/zinc/81/66/80/939816680.db2.gz IHUNOEGFCQYIPW-IBVKSMDESA-N 0 0 438.568 4.121 20 0 IIADRN COc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)cc1-c1ccccc1 ZINC001123267435 939816911 /nfs/dbraw/zinc/81/69/11/939816911.db2.gz GICNOYNJGUHCEZ-MHZLTWQESA-N 0 0 444.531 4.211 20 0 IIADRN Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000426661782 1126081302 /nfs/dbraw/zinc/08/13/02/1126081302.db2.gz FJBQQGAVVMLXEU-XMMPIXPASA-N 0 0 427.504 4.339 20 0 IIADRN O=C([O-])[C@H](Cc1ccc(O)cc1)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000426665526 1126081572 /nfs/dbraw/zinc/08/15/72/1126081572.db2.gz XDEOSQWWEYOBHZ-KRWDZBQOSA-N 0 0 433.327 4.064 20 0 IIADRN CC(C)(C)c1nc(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cs1 ZINC000426717170 1126081821 /nfs/dbraw/zinc/08/18/21/1126081821.db2.gz NBIGWGLXDVSTIK-OAHLLOKOSA-N 0 0 436.375 4.470 20 0 IIADRN CCOc1cc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])ccc1OC(F)F ZINC000426717763 1126081846 /nfs/dbraw/zinc/08/18/46/1126081846.db2.gz RRQGWYYNSPEJLE-HNNXBMFYSA-N 0 0 444.272 4.235 20 0 IIADRN COc1ccc(Oc2ccc(C[NH2+][C@H](Cc3ccc4c(c3)OCCCO4)C(=O)[O-])cc2)cc1 ZINC000426720583 1126082203 /nfs/dbraw/zinc/08/22/03/1126082203.db2.gz NTNWNRGBMGLWQN-HSZRJFAPSA-N 0 0 449.503 4.434 20 0 IIADRN O=C([O-])[C@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000426738781 1126085469 /nfs/dbraw/zinc/08/54/69/1126085469.db2.gz YWQLKNIXLKHJBU-KRWDZBQOSA-N 0 0 430.913 4.020 20 0 IIADRN O=C([O-])[C@@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000426735875 1126084944 /nfs/dbraw/zinc/08/49/44/1126084944.db2.gz HEPJWXKLGWGTFV-HXUWFJFHSA-N 0 0 438.940 4.435 20 0 IIADRN COc1ccc2oc(C[NH2+][C@H](Cc3c[nH]c4cccc(Br)c34)C(=O)[O-])cc2c1 ZINC000426764827 1126089271 /nfs/dbraw/zinc/08/92/71/1126089271.db2.gz YLLHHMRPEUFRMS-GOSISDBHSA-N 0 0 443.297 4.471 20 0 IIADRN COc1cc(Br)ccc1C[NH2+][C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000426764862 1126089300 /nfs/dbraw/zinc/08/93/00/1126089300.db2.gz YNHUUVMOJCFLFU-HNNXBMFYSA-N 0 0 443.135 4.006 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cc(Br)ccc1F ZINC000426744497 1126086068 /nfs/dbraw/zinc/08/60/68/1126086068.db2.gz CRXJOGIYPDSGLO-HNNXBMFYSA-N 0 0 431.099 4.136 20 0 IIADRN O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000426748339 1126086821 /nfs/dbraw/zinc/08/68/21/1126086821.db2.gz WNXORRVAWZYUKO-FQEVSTJZSA-N 0 0 438.940 4.435 20 0 IIADRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000426751593 1126087239 /nfs/dbraw/zinc/08/72/39/1126087239.db2.gz WUKIRRZSIWXBKM-CQSZACIVSA-N 0 0 447.335 4.424 20 0 IIADRN CC(C)Cc1ncc(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])s1 ZINC000426809456 1126091751 /nfs/dbraw/zinc/09/17/51/1126091751.db2.gz VIXYDPCICKKNQE-QGZVFWFLSA-N 0 0 436.375 4.371 20 0 IIADRN Cc1cc(C)cc(C[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)C(=O)[O-])c1 ZINC000559980373 1126097294 /nfs/dbraw/zinc/09/72/94/1126097294.db2.gz LIVHVEAXMOQLAQ-HXUWFJFHSA-N 0 0 428.330 4.037 20 0 IIADRN CC1(C)Cc2cc(C[NH2+][C@H](Cc3c[nH]c4ccc(Br)cc34)C(=O)[O-])ccc2O1 ZINC000756333249 1126107186 /nfs/dbraw/zinc/10/71/86/1126107186.db2.gz PRJQZBXPEQKLIF-LJQANCHMSA-N 0 0 443.341 4.429 20 0 IIADRN COc1ccccc1C[C@@](C)(CO)NCc1ncc(-c2cccc(Br)c2)o1 ZINC001197305459 1126154555 /nfs/dbraw/zinc/15/45/55/1126154555.db2.gz ZQSLGZLZJWHTML-NRFANRHFSA-N 0 0 431.330 4.196 20 0 IIADRN O=C([O-])[C@@H](Cn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC001321114685 1126171405 /nfs/dbraw/zinc/17/14/05/1126171405.db2.gz ZYXOMFLPUDURMT-OAHLLOKOSA-N 0 0 440.750 4.271 20 0 IIADRN C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000584883624 557194228 /nfs/dbraw/zinc/19/42/28/557194228.db2.gz XLRGJNLCIGABIX-XMMPIXPASA-N 0 0 430.504 4.110 20 0 IIADRN C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000584883623 557194298 /nfs/dbraw/zinc/19/42/98/557194298.db2.gz XLRGJNLCIGABIX-DEOSSOPVSA-N 0 0 430.504 4.110 20 0 IIADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c(C)c1 ZINC000016021443 563020722 /nfs/dbraw/zinc/02/07/22/563020722.db2.gz HWYQCTKKYIDXKK-UHFFFAOYSA-N 0 0 444.641 4.098 20 0 IIADRN COc1cc(NS(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)cc(OC)c1OC ZINC000035064565 563089176 /nfs/dbraw/zinc/08/91/76/563089176.db2.gz LZABGCKIGMZFSG-UHFFFAOYSA-N 0 0 426.494 4.158 20 0 IIADRN CCCCCN=c1c(Br)cccn1C(=O)c1ccc(-c2nc(C)no2)cc1 ZINC000252505276 569188201 /nfs/dbraw/zinc/18/82/01/569188201.db2.gz JHEBZYHWBATULG-UHFFFAOYSA-N 0 0 429.318 4.388 20 0 IIADRN O=C(Cn1cnc2ccc(I)cc2c1=O)c1ccc2ccccc2c1 ZINC000048522951 569258014 /nfs/dbraw/zinc/25/80/14/569258014.db2.gz MUDRNKCZADNHFX-UHFFFAOYSA-N 0 0 440.240 4.037 20 0 IIADRN F[C@@]1(N2CC[C@]3(CCOC3)C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164389978 718807138 /nfs/dbraw/zinc/80/71/38/718807138.db2.gz MQUQMSGTCLADSH-LEWJYISDSA-N 0 0 437.346 4.034 20 0 IIADRN C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@@H]5COC[C@@H]5C4)c23)C1 ZINC001164387823 718819136 /nfs/dbraw/zinc/81/91/36/718819136.db2.gz IXISRKAUFWOCJA-KURKYZTESA-N 0 0 426.630 4.275 20 0 IIADRN F[C@@H]1CN([C@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)C[C@@H]2C[C@@H]21 ZINC001164431512 718962596 /nfs/dbraw/zinc/96/25/96/718962596.db2.gz ORJNKIWXWZHZRV-LPRVAIFDSA-N 0 0 425.310 4.211 20 0 IIADRN CCOC(=O)[C@]12CCO[C@H]1CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164434625 718976432 /nfs/dbraw/zinc/97/64/32/718976432.db2.gz UNFDEIKQUJBQMS-KSSFIOAISA-N 0 0 446.281 4.030 20 0 IIADRN CCOC(=O)c1nc2n(n1)CCN(C(F)(F)c1cnc(Cl)c(C3CCCCC3)c1)C2 ZINC001164614595 719006342 /nfs/dbraw/zinc/00/63/42/719006342.db2.gz DBFBRKKXROCUTR-UHFFFAOYSA-N 0 0 439.894 4.116 20 0 IIADRN O=c1[nH]c2ccccc2n1C1CCN(C(F)(F)c2ccc3ncnc(Cl)c3n2)CC1 ZINC001164625394 719127927 /nfs/dbraw/zinc/12/79/27/719127927.db2.gz XGHYHIRRRVLKQS-UHFFFAOYSA-N 0 0 430.846 4.120 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164656740 719295437 /nfs/dbraw/zinc/29/54/37/719295437.db2.gz YNWWTDWIVNVBKU-ZQIUZPCESA-N 0 0 446.281 4.161 20 0 IIADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCO[C@@H]2[C@@H](OCC3CCCC3)CC[C@@H]21 ZINC001164662599 719344250 /nfs/dbraw/zinc/34/42/50/719344250.db2.gz QDBXBJCDLGYWPK-FHWLQOOXSA-N 0 0 427.923 4.495 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2nc(Cl)nc4c2CCCCC4)CC3)cc1 ZINC001164674552 719506090 /nfs/dbraw/zinc/50/60/90/719506090.db2.gz ZTCOKCWKBDBBMH-UHFFFAOYSA-N 0 0 444.982 4.409 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2cc(Cl)ncc2F)CC3)cc1 ZINC001164672214 719506882 /nfs/dbraw/zinc/50/68/82/719506882.db2.gz HCZHMXQSMPKGOO-UHFFFAOYSA-N 0 0 443.872 4.430 20 0 IIADRN COc1ccc(-c2cc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)ncn2)cc1 ZINC001164672676 719523325 /nfs/dbraw/zinc/52/33/25/719523325.db2.gz MOMAXYVASWBLKE-UHFFFAOYSA-N 0 0 448.542 4.163 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2cncc(-c4ccc(F)cc4)n2)CC3)cc1 ZINC001164678454 719531374 /nfs/dbraw/zinc/53/13/74/719531374.db2.gz LFAKBAUCBWUZEU-UHFFFAOYSA-N 0 0 436.506 4.293 20 0 IIADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)Oc2ccc(Cl)nc2)CC3)cs1 ZINC001164682352 719593935 /nfs/dbraw/zinc/59/39/35/719593935.db2.gz BOQKCOANIBBGOM-UHFFFAOYSA-N 0 0 442.919 4.086 20 0 IIADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2ccc3ccc(Cl)nc3c2)N1Cc1cccnc1 ZINC001164690695 719766798 /nfs/dbraw/zinc/76/67/98/719766798.db2.gz HCMFDFGOVRANRW-RTBURBONSA-N 0 0 428.870 4.208 20 0 IIADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cc3ccccc3nc2Cl)N1Cc1cccnc1 ZINC001164690722 719770561 /nfs/dbraw/zinc/77/05/61/719770561.db2.gz HMNOSRUZIGUTSP-MOPGFXCFSA-N 0 0 428.870 4.208 20 0 IIADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2nc(Cl)c4ccccc4n2)CC3)cn1 ZINC001164700748 719825123 /nfs/dbraw/zinc/82/51/23/719825123.db2.gz MIOJAXVSGOSETR-CQSZACIVSA-N 0 0 433.890 4.105 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164710278 720067563 /nfs/dbraw/zinc/06/75/63/720067563.db2.gz DQMDJKLSVUZZRK-KZNAEPCWSA-N 0 0 427.854 4.254 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(Cl)c2)cs1 ZINC001164815142 720251403 /nfs/dbraw/zinc/25/14/03/720251403.db2.gz BCLIRTBPNSEHDD-UONOGXRCSA-N 0 0 447.338 4.468 20 0 IIADRN Cc1nc(CO[C@H]2CN(C(F)(F)c3cc(C)cc(Cl)n3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164820477 720390068 /nfs/dbraw/zinc/39/00/68/720390068.db2.gz CDGYMJCJIUBTDI-RLFYNMQTSA-N 0 0 429.920 4.306 20 0 IIADRN COc1ccc(C(F)(F)N2C[C@H](OCc3csc(C)n3)[C@H]3OCCC[C@@H]32)nc1Cl ZINC001164826745 720390072 /nfs/dbraw/zinc/39/00/72/720390072.db2.gz XMKGRSADRJGEEY-QRTARXTBSA-N 0 0 445.919 4.006 20 0 IIADRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3nc(Cl)c4cccc(F)c4n3)O2)n1 ZINC001164829713 720402723 /nfs/dbraw/zinc/40/27/23/720402723.db2.gz OAEDQNABZAFFEG-MJBXVCDLSA-N 0 0 439.825 4.158 20 0 IIADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C[C@@H]21 ZINC001164827633 720418577 /nfs/dbraw/zinc/41/85/77/720418577.db2.gz USKCQNOOHISXAW-JFIYKMOQSA-N 0 0 437.918 4.047 20 0 IIADRN COc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc(Cl)c2c1 ZINC001164730946 720450935 /nfs/dbraw/zinc/45/09/35/720450935.db2.gz JXLKOIVWOOBNHU-RTBURBONSA-N 0 0 445.901 4.085 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)CC[C@@H]21)N1CCCCC1 ZINC001164830681 720497819 /nfs/dbraw/zinc/49/78/19/720497819.db2.gz CJOGZXZHUFGGKM-QRTARXTBSA-N 0 0 448.341 4.177 20 0 IIADRN Fc1cnc(Cl)cc1C(F)(F)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164733167 720538336 /nfs/dbraw/zinc/53/83/36/720538336.db2.gz BRMQGDVKRXZZIK-AUUYWEPGSA-N 0 0 427.854 4.269 20 0 IIADRN Clc1ccc(CN2CCCC2)c(N2CCO[C@]3(CCC[C@@H]3COc3ccccn3)C2)n1 ZINC001164736412 720539715 /nfs/dbraw/zinc/53/97/15/720539715.db2.gz XUZNKDDHCNNVNW-HYBUGGRVSA-N 0 0 442.991 4.180 20 0 IIADRN O=C(NCc1ccccc1)c1nc2c(s1)CCN(C(F)(F)c1cccc(Cl)n1)CC2 ZINC001164844968 720745817 /nfs/dbraw/zinc/74/58/17/720745817.db2.gz WFKBNGKTBMDRHH-UHFFFAOYSA-N 0 0 448.926 4.272 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164848291 720770145 /nfs/dbraw/zinc/77/01/45/720770145.db2.gz PJNYXSLIRLBNPU-PVAVHDDUSA-N 0 0 427.854 4.157 20 0 IIADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4nc(C)c(C)c(Cl)n4)C3)C2=O)c1 ZINC001164855587 720808051 /nfs/dbraw/zinc/80/80/51/720808051.db2.gz XJWLGDFASLVVKC-NRFANRHFSA-N 0 0 434.918 4.229 20 0 IIADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C3)C2=O)c1 ZINC001164848741 720808634 /nfs/dbraw/zinc/80/86/34/720808634.db2.gz DTIIVENYSMINBN-OAQYLSRUSA-N 0 0 445.901 4.094 20 0 IIADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C2)CC1 ZINC001164860191 720894958 /nfs/dbraw/zinc/89/49/58/720894958.db2.gz UDFKSATVHZKBGO-UHFFFAOYSA-N 0 0 446.929 4.296 20 0 IIADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164758942 720973934 /nfs/dbraw/zinc/97/39/34/720973934.db2.gz XIUUNNOAVIRLOV-OAHLLOKOSA-N 0 0 433.890 4.088 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164758109 720978716 /nfs/dbraw/zinc/97/87/16/720978716.db2.gz TVDWXZRRUPELJB-OAHLLOKOSA-N 0 0 433.890 4.088 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164755872 720982647 /nfs/dbraw/zinc/98/26/47/720982647.db2.gz CMNKBHMGVGUWHS-ZDUSSCGKSA-N 0 0 433.286 4.073 20 0 IIADRN FC(F)(c1cccc2ccnc(Cl)c21)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@@H]21 ZINC001164762405 721006983 /nfs/dbraw/zinc/00/69/83/721006983.db2.gz VLBKREHMCDTFHN-WDSOQIARSA-N 0 0 431.870 4.249 20 0 IIADRN Fc1cc(C(F)(F)N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)cnc1Cl ZINC001164766889 721028015 /nfs/dbraw/zinc/02/80/15/721028015.db2.gz RRVKVVWDLQYUJV-VQIMIIECSA-N 0 0 427.854 4.159 20 0 IIADRN Clc1ccc(CN2CCCC2)c(N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)n1 ZINC001164763826 721028999 /nfs/dbraw/zinc/02/89/99/721028999.db2.gz LSDOSOLBTAUECL-QPPBQGQZSA-N 0 0 442.991 4.071 20 0 IIADRN CCn1nnc2c1CCN(C(F)(F)c1cccc(Cl)n1)[C@H]2COCc1ccccc1 ZINC001164759150 721047219 /nfs/dbraw/zinc/04/72/19/721047219.db2.gz HOUARQRZISDCKL-KRWDZBQOSA-N 0 0 433.890 4.212 20 0 IIADRN CCn1nnc2c1CCN(C(C)(C)c1ccnc(Cl)c1)[C@H]2COCc1ccccc1 ZINC001164774734 721049531 /nfs/dbraw/zinc/04/95/31/721049531.db2.gz XNMDDNQLGSPNBU-FQEVSTJZSA-N 0 0 425.964 4.398 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)c(Cl)n2)n1 ZINC001164765933 721052617 /nfs/dbraw/zinc/05/26/17/721052617.db2.gz DURVJPJDCFMADC-HUUCEWRRSA-N 0 0 427.282 4.017 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CC3)c2)n1 ZINC001164766702 721057465 /nfs/dbraw/zinc/05/74/65/721057465.db2.gz FSMRDDPGGWMTSD-RTBURBONSA-N 0 0 432.902 4.241 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCC3(CC2)CN(c2ccccn2)CCO3)c1 ZINC001164875756 721219458 /nfs/dbraw/zinc/21/94/58/721219458.db2.gz XNBLDLBJYXEITC-UHFFFAOYSA-N 0 0 440.947 4.273 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C[C@@H]32)N=C1C ZINC001164871649 721228642 /nfs/dbraw/zinc/22/86/42/721228642.db2.gz KFZSREYEPIOXOR-FYINFDKHSA-N 0 0 432.902 4.299 20 0 IIADRN O=C(N1CCCC1)C12CC(C1)CN2C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001164872156 721238395 /nfs/dbraw/zinc/23/83/95/721238395.db2.gz KFJGLFWHYZCYCY-UHFFFAOYSA-N 0 0 436.865 4.072 20 0 IIADRN FC(F)(N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21)C1(c2ccnc(Cl)c2)CC1 ZINC001164877444 721252595 /nfs/dbraw/zinc/25/25/95/721252595.db2.gz RKOOWZDYAFKFJU-OTWHNJEPSA-N 0 0 435.902 4.455 20 0 IIADRN FC(F)(N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21)C1(c2ccnc(Cl)c2)CC1 ZINC001164877441 721253005 /nfs/dbraw/zinc/25/30/05/721253005.db2.gz RKOOWZDYAFKFJU-FHWLQOOXSA-N 0 0 435.902 4.455 20 0 IIADRN Fc1cc(C(F)(F)N2CCc3c(COCc4ccccn4)cncc3C2)cnc1Cl ZINC001164766096 721270289 /nfs/dbraw/zinc/27/02/89/721270289.db2.gz MVFOPIPUHREIND-UHFFFAOYSA-N 0 0 434.849 4.489 20 0 IIADRN FC(F)(COc1ccnc(Cl)c1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164765044 721270402 /nfs/dbraw/zinc/27/04/02/721270402.db2.gz ITJCREWZRIDKQM-UHFFFAOYSA-N 0 0 446.885 4.272 20 0 IIADRN FC(F)(c1cc(Cl)cnc1Cl)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164766104 721272149 /nfs/dbraw/zinc/27/21/49/721272149.db2.gz NBBXIEMTJNRWCJ-CYBMUJFWSA-N 0 0 440.281 4.240 20 0 IIADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164770653 721274035 /nfs/dbraw/zinc/27/40/35/721274035.db2.gz WFNLBNCIQIHRNR-CYBMUJFWSA-N 0 0 440.281 4.240 20 0 IIADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164876922 721311338 /nfs/dbraw/zinc/31/13/38/721311338.db2.gz HDNNHOXQPFMPLJ-MDASCCDHSA-N 0 0 446.885 4.286 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)c1 ZINC001164881686 721314329 /nfs/dbraw/zinc/31/43/29/721314329.db2.gz XJUGWHPXLKTREV-RRQGHBQHSA-N 0 0 441.931 4.460 20 0 IIADRN COc1cc(C(F)(F)N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cc(Cl)n1 ZINC001164778491 721315496 /nfs/dbraw/zinc/31/54/96/721315496.db2.gz XSMBVBNXRNJTLD-UHFFFAOYSA-N 0 0 434.849 4.490 20 0 IIADRN Fc1ccc(-c2ncnc3c2CCN(C(F)(F)c2c4c(nnc2Cl)CCC4)CC3)cc1 ZINC001164779549 721316233 /nfs/dbraw/zinc/31/62/33/721316233.db2.gz YSNYHRDNOZMLOD-UHFFFAOYSA-N 0 0 445.876 4.365 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)CC2 ZINC001164877239 721316497 /nfs/dbraw/zinc/31/64/97/721316497.db2.gz KOZKJJJFFXRBEP-CQSZACIVSA-N 0 0 448.926 4.390 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164878576 721316501 /nfs/dbraw/zinc/31/65/01/721316501.db2.gz PBRCDOIHCVMAOU-OAHLLOKOSA-N 0 0 426.294 4.434 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164877223 721317059 /nfs/dbraw/zinc/31/70/59/721317059.db2.gz KAMPSFZQWMSJBI-CQSZACIVSA-N 0 0 426.294 4.434 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164878781 721318632 /nfs/dbraw/zinc/31/86/32/721318632.db2.gz PMBZCNQOMWITJO-QGZVFWFLSA-N 0 0 432.902 4.053 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001164873743 721319041 /nfs/dbraw/zinc/31/90/41/721319041.db2.gz BCUIZAMFGOWVEA-GOSISDBHSA-N 0 0 431.914 4.355 20 0 IIADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001164778784 721325234 /nfs/dbraw/zinc/32/52/34/721325234.db2.gz RHBLRRKTNHOIIQ-NSHDSACASA-N 0 0 449.260 4.069 20 0 IIADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)ncc1F)CC2 ZINC001164776508 721325702 /nfs/dbraw/zinc/32/57/02/721325702.db2.gz DSOHQMDWHUKBRX-LBPRGKRZSA-N 0 0 431.817 4.160 20 0 IIADRN CN(C)C1=NOC2(C1)CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164877473 721327719 /nfs/dbraw/zinc/32/77/19/721327719.db2.gz UKPFYBFPTHOCFD-UHFFFAOYSA-N 0 0 439.869 4.115 20 0 IIADRN O=C1CO[C@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@@H]2N1c1cccc(F)c1 ZINC001164883914 721365734 /nfs/dbraw/zinc/36/57/34/721365734.db2.gz RYQHZCIXKFCYIQ-OALUTQOASA-N 0 0 447.844 4.193 20 0 IIADRN CS(=O)(=O)N1CCCC[C@@]12CCCN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164884445 721375939 /nfs/dbraw/zinc/37/59/39/721375939.db2.gz AYLXBEWQOUFXCB-IBGZPJMESA-N 0 0 443.947 4.218 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164782427 721383777 /nfs/dbraw/zinc/38/37/77/721383777.db2.gz LRCDTQJVOJRTST-YLJYHZDGSA-N 0 0 439.890 4.147 20 0 IIADRN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c12 ZINC001164784704 721426628 /nfs/dbraw/zinc/42/66/28/721426628.db2.gz LRBOXTSZACVZRI-OYRHEFFESA-N 0 0 444.608 4.121 20 0 IIADRN Cc1sc2nc(-c3cccnc3)nc(N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)c2c1C ZINC001164781927 721426805 /nfs/dbraw/zinc/42/68/05/721426805.db2.gz DVECGTCNSDVLCJ-QZTJIDSGSA-N 0 0 448.621 4.395 20 0 IIADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164788952 721431510 /nfs/dbraw/zinc/43/15/10/721431510.db2.gz UNFISJGRFAIIGK-HOTGVXAUSA-N 0 0 447.942 4.367 20 0 IIADRN Cc1nc(-c2ccccc2Cl)nc(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1C ZINC001164784084 721431970 /nfs/dbraw/zinc/43/19/70/721431970.db2.gz KOHOPTSBDQWVAE-CALCHBBNSA-N 0 0 425.989 4.439 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164789597 721433454 /nfs/dbraw/zinc/43/34/54/721433454.db2.gz VUDIKMKNFZXQRO-IYBDPMFKSA-N 0 0 447.942 4.367 20 0 IIADRN Cc1cccc(Oc2nc(Cl)ncc2N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c1 ZINC001164782541 721436527 /nfs/dbraw/zinc/43/65/27/721436527.db2.gz GLYPMZFHDLPYRJ-HZPDHXFCSA-N 0 0 427.961 4.255 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN([C@H](F)Oc2cccc(Cl)n2)CCO3)cs1 ZINC001164786763 721444005 /nfs/dbraw/zinc/44/40/05/721444005.db2.gz WCKLHCMPZJHHIF-RYGJVYDSSA-N 0 0 441.956 4.220 20 0 IIADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4cccnc4Cl)C3)C2=O)cs1 ZINC001164887403 721460496 /nfs/dbraw/zinc/46/04/96/721460496.db2.gz JXLRNZRTQADAEQ-SFHVURJKSA-N 0 0 426.920 4.064 20 0 IIADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4cc(Cl)ncc4F)C3)C2=O)cs1 ZINC001164885552 721461175 /nfs/dbraw/zinc/46/11/75/721461175.db2.gz FNXILNRBPYKICT-SFHVURJKSA-N 0 0 444.910 4.203 20 0 IIADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC2)C1=O ZINC001164894586 721471710 /nfs/dbraw/zinc/47/17/10/721471710.db2.gz NRTYNZBPPORXJJ-UHFFFAOYSA-N 0 0 441.309 4.130 20 0 IIADRN CCOC[C@@H]1CN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)Cc2cnn(C)c21 ZINC001164793472 721476282 /nfs/dbraw/zinc/47/62/82/721476282.db2.gz VVKIGKBMZUZIIM-INIZCTEOSA-N 0 0 433.890 4.216 20 0 IIADRN CCOC[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)Cc2cnn(C)c21 ZINC001164793522 721476711 /nfs/dbraw/zinc/47/67/11/721476711.db2.gz WSNNQAYSWXBCHH-LBPRGKRZSA-N 0 0 442.297 4.355 20 0 IIADRN CNC(=O)N[C@@H]1CC2(CCN([C@H](F)Oc3ccnc(Cl)c3)CC2)c2ccc(C)cc21 ZINC001164900394 721492179 /nfs/dbraw/zinc/49/21/79/721492179.db2.gz OWIVQGPRKJNXER-QUCCMNQESA-N 0 0 432.927 4.083 20 0 IIADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164796595 721505796 /nfs/dbraw/zinc/50/57/96/721505796.db2.gz SWRQZPVBPLOCMM-JLTOFOAXSA-N 0 0 437.874 4.147 20 0 IIADRN O=C1CCC2(CCN(C(F)(F)c3cc(Cl)nc(Cl)c3)CC2)N1Cc1ccncc1 ZINC001164898983 721506115 /nfs/dbraw/zinc/50/61/15/721506115.db2.gz WDPUBGBAWPVZPO-UHFFFAOYSA-N 0 0 441.309 4.490 20 0 IIADRN FC(F)(c1cnc2c(Cl)ncnc2c1)N1C[C@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164796346 721506622 /nfs/dbraw/zinc/50/66/22/721506622.db2.gz SHMRDSNPKKKETH-JLTOFOAXSA-N 0 0 431.874 4.304 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2c[nH]c3nc(Cl)ccc23)[C@H]2CCCO[C@@H]12 ZINC001164804669 721554858 /nfs/dbraw/zinc/55/48/58/721554858.db2.gz LTDOLDWBQDZBQL-NLWGTHIKSA-N 0 0 447.917 4.024 20 0 IIADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001164904529 721579673 /nfs/dbraw/zinc/57/96/73/721579673.db2.gz RCJSSNUSJLZXDO-OAQYLSRUSA-N 0 0 445.901 4.099 20 0 IIADRN FC(F)(c1cc2ccccc2nc1Cl)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001164903790 721580169 /nfs/dbraw/zinc/58/01/69/721580169.db2.gz NTDUWCCCFKBBEA-NRFANRHFSA-N 0 0 445.901 4.099 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2-c2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164803367 721582897 /nfs/dbraw/zinc/58/28/97/721582897.db2.gz HTBSDXFLNQBMNL-VIZSFHNOSA-N 0 0 435.959 4.060 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nnc(Cl)c3ccc(Cl)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164808178 721585920 /nfs/dbraw/zinc/58/59/20/721585920.db2.gz QAHZCERJVZRPGL-VAMGGRTRSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)[C@@H]2CCCO[C@@H]12 ZINC001164806196 721591272 /nfs/dbraw/zinc/59/12/72/721591272.db2.gz MGGOQULJVQIKQB-SFHLNBCPSA-N 0 0 448.945 4.118 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(OCc3ccccc3)cnn1)C2 ZINC001164911713 721756569 /nfs/dbraw/zinc/75/65/69/721756569.db2.gz XQDGBUDIXYTJDL-UHFFFAOYSA-N 0 0 441.535 4.238 20 0 IIADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1C[C@H](OCC2CC2)[C@H]2COC[C@@H]21 ZINC001165016360 721762437 /nfs/dbraw/zinc/76/24/37/721762437.db2.gz WGBYHABVIWUGAU-RCBQFDQVSA-N 0 0 430.282 4.112 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccnc(Cc3ccccc3)n1)C2 ZINC001164910772 721762958 /nfs/dbraw/zinc/76/29/58/721762958.db2.gz KWXIJOCDZHPDBB-UHFFFAOYSA-N 0 0 425.536 4.250 20 0 IIADRN COc1cc2cnc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)cc2cc1OC ZINC001164912132 721763251 /nfs/dbraw/zinc/76/32/51/721763251.db2.gz SQFRQZVXCQDBQL-UHFFFAOYSA-N 0 0 444.535 4.435 20 0 IIADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)[C@@H]2C1 ZINC001165016771 721771985 /nfs/dbraw/zinc/77/19/85/721771985.db2.gz QBOVNZUNZVJUSH-XJKSGUPXSA-N 0 0 448.857 4.269 20 0 IIADRN O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001165017397 721784493 /nfs/dbraw/zinc/78/44/93/721784493.db2.gz GQHIFMZKWASSHM-NRFANRHFSA-N 0 0 443.885 4.247 20 0 IIADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164915796 721804907 /nfs/dbraw/zinc/80/49/07/721804907.db2.gz LBQJZPWBFVVSTH-YWZLYKJASA-N 0 0 432.858 4.040 20 0 IIADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164916567 721807312 /nfs/dbraw/zinc/80/73/12/721807312.db2.gz RDXMMFSZFKFMJH-FOIQADDNSA-N 0 0 432.858 4.040 20 0 IIADRN Fc1ccc(C(F)(F)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)nc1Cl ZINC001164919537 721809086 /nfs/dbraw/zinc/80/90/86/721809086.db2.gz ZETAADONSCGBAR-AXAPSJFSSA-N 0 0 433.883 4.076 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(c2ncnc3scc(-c4cccs4)c32)CC1 ZINC001164916463 721813845 /nfs/dbraw/zinc/81/38/45/721813845.db2.gz DZAIMBUKHONPKH-UHFFFAOYSA-N 0 0 436.610 4.366 20 0 IIADRN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164921652 721841414 /nfs/dbraw/zinc/84/14/14/721841414.db2.gz OSQNDOADBOZEJH-LAUBAEHRSA-N 0 0 435.902 4.222 20 0 IIADRN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC(Oc2ccc(F)cc2Cl)CC1 ZINC001165033926 721879852 /nfs/dbraw/zinc/87/98/52/721879852.db2.gz ZACWHKMYTBEVLN-UHFFFAOYSA-N 0 0 434.245 4.219 20 0 IIADRN NC(=O)c1ccc(C(F)(F)N2CCC(Oc3ccc(F)cc3Cl)CC2)nc1Cl ZINC001165032702 721879872 /nfs/dbraw/zinc/87/98/72/721879872.db2.gz AKTPOPNCJJELAE-UHFFFAOYSA-N 0 0 434.245 4.219 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164928203 721898654 /nfs/dbraw/zinc/89/86/54/721898654.db2.gz MNEGCZXRZHQCCU-OAQYLSRUSA-N 0 0 444.869 4.295 20 0 IIADRN O=C(C1=CC2(CCN(C(F)(F)c3cnnc(Cl)c3)CC2)c2ccccc21)N1CCCC1 ZINC001164926562 721899350 /nfs/dbraw/zinc/89/93/50/721899350.db2.gz DORXLXDUPWOTDI-UHFFFAOYSA-N 0 0 444.913 4.233 20 0 IIADRN FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCC(CCc2ccccc2)CC1 ZINC001165044162 721939956 /nfs/dbraw/zinc/93/99/56/721939956.db2.gz LEHCCGMSSMOYPW-UHFFFAOYSA-N 0 0 436.934 4.361 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@@H]21 ZINC001164943380 721949619 /nfs/dbraw/zinc/94/96/19/721949619.db2.gz NWXUMXZRHBZXKU-RBUKOAKNSA-N 0 0 448.901 4.128 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)C[C@@H]21 ZINC001164941742 721951332 /nfs/dbraw/zinc/95/13/32/721951332.db2.gz BTKKYEJFGSRQOW-PMACEKPBSA-N 0 0 448.901 4.128 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@@H]21 ZINC001164948064 721952070 /nfs/dbraw/zinc/95/20/70/721952070.db2.gz RIXDFNBYUOVWOI-VQTJNVASSA-N 0 0 448.901 4.128 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc4c(Cl)ccc(Cl)c4n3)C[C@H]21 ZINC001164942935 721962291 /nfs/dbraw/zinc/96/22/91/721962291.db2.gz DQBJFJYJJXZRHL-MOPGFXCFSA-N 0 0 433.339 4.236 20 0 IIADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3nc(C)c(C)c(Cl)n3)C[C@@H]12 ZINC001164949767 721966566 /nfs/dbraw/zinc/96/65/66/721966566.db2.gz YCEQTOSTQUTETO-WIYYLYMNSA-N 0 0 434.918 4.061 20 0 IIADRN COc1ccc(C(F)(F)N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)nc1Cl ZINC001164942954 721966698 /nfs/dbraw/zinc/96/66/98/721966698.db2.gz DSOSNYMWSBZSMA-FPOVZHCZSA-N 0 0 435.902 4.057 20 0 IIADRN Cc1c(Cl)ccc2ccc(N3CCC4(CC3)C(=O)NCCN4Cc3ccccc3)nc12 ZINC001164947112 721977187 /nfs/dbraw/zinc/97/71/87/721977187.db2.gz NXCMYMVHBXJHDQ-UHFFFAOYSA-N 0 0 434.971 4.168 20 0 IIADRN F[C@@]1(N2CCn3cccc3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001165051487 721991339 /nfs/dbraw/zinc/99/13/39/721991339.db2.gz HMOIWNGPLICIRU-OAQYLSRUSA-N 0 0 432.330 4.239 20 0 IIADRN CC(C)(C)OC(=O)[C@@H]1CCCN(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)C1 ZINC001165051541 721992568 /nfs/dbraw/zinc/99/25/68/721992568.db2.gz INRLBEPMZKPZED-GOSISDBHSA-N 0 0 442.991 4.246 20 0 IIADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)COc3ccnc(Cl)c3)C[C@@H]21 ZINC001164954037 722004001 /nfs/dbraw/zinc/00/40/01/722004001.db2.gz VDLYTVACHJYEOD-DOTOQJQBSA-N 0 0 430.886 4.379 20 0 IIADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN([C@@H](F)Oc2ccnc(Cl)c2)C3)n1 ZINC001164964009 722026257 /nfs/dbraw/zinc/02/62/57/722026257.db2.gz UYTXENGGRREZKC-CEMLEFRQSA-N 0 0 435.927 4.158 20 0 IIADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN([C@@H](F)Oc2ccc(Cl)nc2)C3)n1 ZINC001164957159 722026576 /nfs/dbraw/zinc/02/65/76/722026576.db2.gz ADLYIPHNWKSZJN-CEMLEFRQSA-N 0 0 435.927 4.158 20 0 IIADRN O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164957094 722034134 /nfs/dbraw/zinc/03/41/34/722034134.db2.gz LMRPBQULDYOUQP-XMSQKQJNSA-N 0 0 442.897 4.361 20 0 IIADRN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164962094 722035650 /nfs/dbraw/zinc/03/56/50/722035650.db2.gz XHGIDNHGYANCGA-GHTZIAJQSA-N 0 0 432.902 4.085 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)c1 ZINC001164958923 722038738 /nfs/dbraw/zinc/03/87/38/722038738.db2.gz FHFBLWLMAAHTLY-RTHVDDQRSA-N 0 0 439.959 4.471 20 0 IIADRN CC(C)C(=O)N[C@@H]1[C@H]2CN(C(F)(F)c3ccc(OCc4ccc(Cl)nc4)cc3)C[C@H]21 ZINC001164965282 722039743 /nfs/dbraw/zinc/03/97/43/722039743.db2.gz YHSYNTFWSRIZFZ-RUYXUALKSA-N 0 0 435.902 4.066 20 0 IIADRN Cc1ccc(N2C[C@]3(CCN(c4nc(Cl)ccc4CN4CCCC4)C3)CC2=O)s1 ZINC001164964189 722044065 /nfs/dbraw/zinc/04/40/65/722044065.db2.gz TWKOSUQRVRFDGP-JOCHJYFZSA-N 0 0 431.005 4.334 20 0 IIADRN Cc1ccc(N2C[C@@]3(CCN(c4nc(Cl)ccc4CN4CCCC4)C3)CC2=O)s1 ZINC001164964218 722044165 /nfs/dbraw/zinc/04/41/65/722044165.db2.gz TWKOSUQRVRFDGP-QFIPXVFZSA-N 0 0 431.005 4.334 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)Oc2ccnc(Cl)c2)[C@H]3C)c1 ZINC001164964337 722063473 /nfs/dbraw/zinc/06/34/73/722063473.db2.gz FVLVUAWZMRBTJV-HNNXBMFYSA-N 0 0 449.889 4.358 20 0 IIADRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001164966138 722064454 /nfs/dbraw/zinc/06/44/54/722064454.db2.gz OQQWRPFDNJLMKG-DLBZAZTESA-N 0 0 434.899 4.383 20 0 IIADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164969690 722083051 /nfs/dbraw/zinc/08/30/51/722083051.db2.gz QTHFIWGJNPUPJK-UHFFFAOYSA-N 0 0 433.846 4.077 20 0 IIADRN Cn1cc(N2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C5CCCCC5)c4)C[C@@H]3C2=O)cn1 ZINC001164985618 722096501 /nfs/dbraw/zinc/09/65/01/722096501.db2.gz ZFJYKEYNVSWASO-KXBFYZLASA-N 0 0 449.933 4.160 20 0 IIADRN COc1nc(Cl)ncc1C(F)(F)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164980222 722165330 /nfs/dbraw/zinc/16/53/30/722165330.db2.gz XHNUHCJXEOIUDE-BEFAXECRSA-N 0 0 431.911 4.018 20 0 IIADRN FC(F)(c1c2c(nnc1Cl)CCC2)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164976961 722165674 /nfs/dbraw/zinc/16/56/74/722165674.db2.gz LTDANOFMVANLTO-HRAATJIYSA-N 0 0 441.950 4.498 20 0 IIADRN NC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2c3ccccc3[C@@H](OCC3CC3)[C@@H]2C1 ZINC001164978798 722171476 /nfs/dbraw/zinc/17/14/76/722171476.db2.gz SHKLMOKHSORFTL-MBOZVWFJSA-N 0 0 433.886 4.080 20 0 IIADRN CSc1nc2ccsc2c(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1 ZINC001164991147 722180620 /nfs/dbraw/zinc/18/06/20/722180620.db2.gz OUUWDUPDJYVOQG-IRXDYDNUSA-N 0 0 447.655 4.048 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cnc(Cl)cc4C)CC[C@H]32)cs1 ZINC001164990583 722181943 /nfs/dbraw/zinc/18/19/43/722181943.db2.gz OFFNSTJDAPJVSJ-QZTJIDSGSA-N 0 0 442.963 4.223 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4nc(Cl)ccc4C)CC[C@H]32)cs1 ZINC001164994498 722183835 /nfs/dbraw/zinc/18/38/35/722183835.db2.gz YXFIRNIWEQJWOX-IAGOWNOFSA-N 0 0 442.963 4.223 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)c(Cl)cc4Cl)CC[C@H]32)cs1 ZINC001164990133 722184593 /nfs/dbraw/zinc/18/45/93/722184593.db2.gz QPAZSZQBNFDOHN-QZTJIDSGSA-N 0 0 427.401 4.332 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)c(Cl)cc4Cl)CC[C@@H]32)cs1 ZINC001164990134 722184598 /nfs/dbraw/zinc/18/45/98/722184598.db2.gz QPAZSZQBNFDOHN-ROUUACIJSA-N 0 0 427.401 4.332 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(-c5ccc(C)cc5)nn4)CC[C@H]32)cs1 ZINC001164988646 722184953 /nfs/dbraw/zinc/18/49/53/722184953.db2.gz NHRBUZQALLIXIP-PKTZIBPZSA-N 0 0 435.597 4.087 20 0 IIADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164991830 722187421 /nfs/dbraw/zinc/18/74/21/722187421.db2.gz QBHPUGBKLKQBSE-AWEZNQCLSA-N 0 0 436.330 4.035 20 0 IIADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3cc(Cl)ncn3)CC2)c2ccccc21 ZINC001164996858 722220566 /nfs/dbraw/zinc/22/05/66/722220566.db2.gz AXBBDPRWRDZDSL-UHFFFAOYSA-N 0 0 444.913 4.136 20 0 IIADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN([C@@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164998857 722221286 /nfs/dbraw/zinc/22/12/86/722221286.db2.gz MFYHAGQPJRQQKH-IFMALSPDSA-N 0 0 429.923 4.443 20 0 IIADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cnnc(Cl)c1)CC2 ZINC001165000318 722221360 /nfs/dbraw/zinc/22/13/60/722221360.db2.gz WKIZBOHSRDZZMT-IBGZPJMESA-N 0 0 432.902 4.255 20 0 IIADRN CC(C)CN1c2ccccc2[C@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)CC[C@@H]21 ZINC001165006511 722245721 /nfs/dbraw/zinc/24/57/21/722245721.db2.gz ZCUXNBAHTVMYAE-ZBFHGGJFSA-N 0 0 432.906 4.341 20 0 IIADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1cnc(Cl)cc1Cl)CCO2 ZINC001165001404 722248716 /nfs/dbraw/zinc/24/87/16/722248716.db2.gz PWUMOOYITUHJFB-SFHVURJKSA-N 0 0 446.281 4.038 20 0 IIADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)Oc2ccnc(Cl)c2)CC3)cs1 ZINC001165008573 722273281 /nfs/dbraw/zinc/27/32/81/722273281.db2.gz LDUUUFAHPFRXRD-INIZCTEOSA-N 0 0 445.919 4.269 20 0 IIADRN O=C([O-])[C@@]1(NC(=O)CCc2ccc(-c3ccccc3)o2)CCC[N@H+](Cc2ccccc2)C1 ZINC001123372822 939823495 /nfs/dbraw/zinc/82/34/95/939823495.db2.gz WLKSJDPCCWCILU-AREMUKBSSA-N 0 0 432.520 4.115 20 0 IIADRN Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000426661781 1126081401 /nfs/dbraw/zinc/08/14/01/1126081401.db2.gz FJBQQGAVVMLXEU-DEOSSOPVSA-N 0 0 427.504 4.339 20 0 IIADRN Cn1cnc2cc(C[NH2+][C@@H](Cc3csc(-c4ccccc4Cl)n3)C(=O)[O-])ccc21 ZINC000426732468 1126084246 /nfs/dbraw/zinc/08/42/46/1126084246.db2.gz IPAHEPSOZIQDFS-SFHVURJKSA-N 0 0 426.929 4.136 20 0 IIADRN C[C@H]1CCc2nc(C[NH2+][C@H](Cc3c[nH]c4cccc(Br)c34)C(=O)[O-])sc2C1 ZINC000426759917 1126088623 /nfs/dbraw/zinc/08/86/23/1126088623.db2.gz OYRVOJHDWJCBLE-MEDUHNTESA-N 0 0 448.386 4.297 20 0 IIADRN CC(C)Cc1ncc(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])s1 ZINC000426762742 1126089025 /nfs/dbraw/zinc/08/90/25/1126089025.db2.gz NBUMNPXCZIWWKZ-MRXNPFEDSA-N 0 0 436.375 4.371 20 0 IIADRN COc1cc(C[NH2+][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])ccc1OCc1ccncc1 ZINC000426742174 1126085902 /nfs/dbraw/zinc/08/59/02/1126085902.db2.gz OQKGXVOTCMQWQB-FQEVSTJZSA-N 0 0 426.900 4.108 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cc(Br)ccc1F ZINC000426744499 1126086165 /nfs/dbraw/zinc/08/61/65/1126086165.db2.gz CRXJOGIYPDSGLO-OAHLLOKOSA-N 0 0 431.099 4.136 20 0 IIADRN Cc1cc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])sc1Br ZINC000426747651 1126086530 /nfs/dbraw/zinc/08/65/30/1126086530.db2.gz QVIRYPOUACQEEX-CYBMUJFWSA-N 0 0 433.165 4.367 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000426752837 1126087517 /nfs/dbraw/zinc/08/75/17/1126087517.db2.gz FPKDTQKFPSMTAM-MRXNPFEDSA-N 0 0 432.236 4.176 20 0 IIADRN Cc1ccc(COc2ccc(C[NH2+][C@@H](Cn3ccc(C(F)(F)F)n3)C(=O)[O-])cc2)cc1 ZINC000426753418 1126087525 /nfs/dbraw/zinc/08/75/25/1126087525.db2.gz IFBKRSQZLSPVTH-IBGZPJMESA-N 0 0 433.430 4.032 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000426754364 1126087725 /nfs/dbraw/zinc/08/77/25/1126087725.db2.gz PQNZYRONSNKSGD-AWEZNQCLSA-N 0 0 434.664 4.489 20 0 IIADRN CC(C)Cc1ncc(C[NH2+][C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])s1 ZINC000426809454 1126091778 /nfs/dbraw/zinc/09/17/78/1126091778.db2.gz VIXYDPCICKKNQE-KRWDZBQOSA-N 0 0 436.375 4.371 20 0 IIADRN C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(Br)c([O-])c(Br)c1 ZINC001183145395 1126153121 /nfs/dbraw/zinc/15/31/21/1126153121.db2.gz IGJLUCNHRKPJII-KRWDZBQOSA-N 0 0 447.142 4.140 20 0 IIADRN O[C@@H]([C@@H](Cc1ccccc1)NCc1noc(-c2c(F)cccc2Cl)n1)C(F)(F)F ZINC001308034967 1126162221 /nfs/dbraw/zinc/16/22/21/1126162221.db2.gz NZTOHKNVFOZUQY-PBHICJAKSA-N 0 0 429.801 4.153 20 0 IIADRN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000036727036 526843763 /nfs/dbraw/zinc/84/37/63/526843763.db2.gz KBTFTBDWMZYVMN-UHFFFAOYSA-N 0 0 441.768 4.228 20 0 IIADRN COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(C(C)(C)C)cc4)CC3)c2cc1OC ZINC000013474780 562988794 /nfs/dbraw/zinc/98/87/94/562988794.db2.gz ZWSUFCVOLVLTHS-UHFFFAOYSA-N 0 0 449.555 4.299 20 0 IIADRN CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000027211246 563041032 /nfs/dbraw/zinc/04/10/32/563041032.db2.gz UCQLOQXHZMBSOQ-VWLOTQADSA-N 0 0 431.532 4.441 20 0 IIADRN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCCc3c(Cl)ccc(F)c32)cc1Cl ZINC000170623419 569148222 /nfs/dbraw/zinc/14/82/22/569148222.db2.gz NIUOIRFHRMMCNL-UHFFFAOYSA-N 0 0 435.279 4.372 20 0 IIADRN Cn1nc(C(=O)Nc2ccc3[nH]c(-c4ccccc4Cl)nc3c2)c2ccccc2c1=O ZINC000040156229 569494097 /nfs/dbraw/zinc/49/40/97/569494097.db2.gz AVSYZFVYBYRZAB-UHFFFAOYSA-N 0 0 429.867 4.383 20 0 IIADRN COc1ccc2nc(C(F)(F)N3C[C@H]4C(=O)Nc5ccccc5[C@H]4C3)nc(Cl)c2c1 ZINC001164401488 718858877 /nfs/dbraw/zinc/85/88/77/718858877.db2.gz FIGHQEOZFFYZOL-HUUCEWRRSA-N 0 0 430.842 4.009 20 0 IIADRN O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001164407812 718867784 /nfs/dbraw/zinc/86/77/84/718867784.db2.gz KDTUUDPYQXNZHC-OCCSQVGLSA-N 0 0 429.801 4.123 20 0 IIADRN FC1(F)CO[C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164424760 718928469 /nfs/dbraw/zinc/92/84/69/718928469.db2.gz PISIPHGDUIBFNX-CVEARBPZSA-N 0 0 434.556 4.026 20 0 IIADRN COC(=O)c1ccc(C(F)(F)N2CCC3(CC(=O)c4ccc(F)cc43)CC2)c(Cl)n1 ZINC001164424007 718937217 /nfs/dbraw/zinc/93/72/17/718937217.db2.gz MGCQUGLZUKROBF-UHFFFAOYSA-N 0 0 438.833 4.330 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C[C@@H]3O2)n1 ZINC001164638728 719262175 /nfs/dbraw/zinc/26/21/75/719262175.db2.gz OWQSMMOZRYBEAB-UBHSHLNASA-N 0 0 441.935 4.234 20 0 IIADRN FC(F)(c1c2c(nnc1Cl)CCC2)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164650053 719289894 /nfs/dbraw/zinc/28/98/94/719289894.db2.gz XUPVGWBKSGAOEM-KNXALSJPSA-N 0 0 438.931 4.464 20 0 IIADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164645518 719291672 /nfs/dbraw/zinc/29/16/72/719291672.db2.gz JSNKKIIXJFIOAY-IKGGRYGDSA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164650661 719292099 /nfs/dbraw/zinc/29/20/99/719292099.db2.gz ZOYHJAHDGLYAKS-RYRKJORJSA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164656089 719296133 /nfs/dbraw/zinc/29/61/33/719296133.db2.gz VYNMMSWXHISTGN-DYXWJJEUSA-N 0 0 435.902 4.117 20 0 IIADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164656091 719296210 /nfs/dbraw/zinc/29/62/10/719296210.db2.gz VYNMMSWXHISTGN-ZJOUEHCJSA-N 0 0 435.902 4.117 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)C[C@@H]2CCCO[C@H]12 ZINC001164646649 719304329 /nfs/dbraw/zinc/30/43/29/719304329.db2.gz BIEYTJLXWPGUPA-VPWXQRGCSA-N 0 0 435.902 4.039 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)CC2 ZINC001164654575 719316835 /nfs/dbraw/zinc/31/68/35/719316835.db2.gz SCHBOZBIFJJIGY-UHFFFAOYSA-N 0 0 433.984 4.092 20 0 IIADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)C[C@@H]2CCCO[C@H]12 ZINC001164652664 719324747 /nfs/dbraw/zinc/32/47/47/719324747.db2.gz DLFUGOUVZZYVJS-NBCNXNJRSA-N 0 0 449.929 4.333 20 0 IIADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)C[C@@H]2CCCO[C@@H]12 ZINC001164652661 719324816 /nfs/dbraw/zinc/32/48/16/719324816.db2.gz DLFUGOUVZZYVJS-DKZVUGQWSA-N 0 0 449.929 4.333 20 0 IIADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@H]32)c1 ZINC001164662633 719343417 /nfs/dbraw/zinc/34/34/17/719343417.db2.gz QTEZYIGLCDHMFI-MDZRGWNJSA-N 0 0 444.906 4.010 20 0 IIADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001164661682 719343762 /nfs/dbraw/zinc/34/37/62/719343762.db2.gz MLXGRWZXDIBNEC-SCTDSRPQSA-N 0 0 444.906 4.010 20 0 IIADRN FC(F)(c1c2c(nnc1Cl)CCC2)N1CCO[C@H]2[C@H]1CC[C@@H]2OCC1CCCC1 ZINC001164659378 719344210 /nfs/dbraw/zinc/34/42/10/719344210.db2.gz BXJLQFDHSZFWDP-AOIWGVFYSA-N 0 0 427.923 4.107 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccco3)nn1)CC2 ZINC001164658990 719354472 /nfs/dbraw/zinc/35/44/72/719354472.db2.gz OUSOOZXVYJKYLE-UHFFFAOYSA-N 0 0 440.551 4.431 20 0 IIADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cc(C)nc(Cl)c1)CC2 ZINC001164664924 719359285 /nfs/dbraw/zinc/35/92/85/719359285.db2.gz SMPRXFSYMBPQPM-UHFFFAOYSA-N 0 0 428.936 4.132 20 0 IIADRN CCn1nnc2c1[C@H](COC)CN(C(F)(F)c1cc(-c3ccc(C)cc3)nnc1Cl)C2 ZINC001164663296 719362486 /nfs/dbraw/zinc/36/24/86/719362486.db2.gz JAOGVJPZXSSXFC-HNNXBMFYSA-N 0 0 448.905 4.012 20 0 IIADRN CN1CCO[C@H]2CN(C(F)(F)c3ccccc3-c3nc(Cl)c4ccccc4n3)C[C@@H]21 ZINC001164669826 719487867 /nfs/dbraw/zinc/48/78/67/719487867.db2.gz VUVGLHIJCMULMT-OALUTQOASA-N 0 0 430.886 4.014 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2ccc(Cl)nc2)CC3)cc1 ZINC001164665630 719491266 /nfs/dbraw/zinc/49/12/66/719491266.db2.gz ARJMBNTZMWQXEI-UHFFFAOYSA-N 0 0 425.882 4.290 20 0 IIADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2ccc3ccnc(Cl)c3c2)N1Cc1cccnc1 ZINC001164690938 719766525 /nfs/dbraw/zinc/76/65/25/719766525.db2.gz JBRPALQOOHPSDV-MOPGFXCFSA-N 0 0 428.870 4.208 20 0 IIADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2ccc(Cl)nc2C(F)(F)F)N1Cc1cccnc1 ZINC001164692069 719775581 /nfs/dbraw/zinc/77/55/81/719775581.db2.gz RKDDHOOZPWGCBU-KGLIPLIRSA-N 0 0 446.807 4.074 20 0 IIADRN CC(C)Oc1ncnc2c1CCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164695954 719791877 /nfs/dbraw/zinc/79/18/77/719791877.db2.gz PQTMQLUTUYVLLX-JOCHJYFZSA-N 0 0 443.910 4.107 20 0 IIADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2cc(-c4ccco4)nnc2Cl)CC3)cn1 ZINC001164695150 719826836 /nfs/dbraw/zinc/82/68/36/719826836.db2.gz BUNDCKYWBBXWQU-AWEZNQCLSA-N 0 0 449.889 4.212 20 0 IIADRN O=C1COC2(CCN(C(F)(F)c3cc(Cl)cnc3Cl)CC2)CN1c1ccccc1 ZINC001164695905 719835942 /nfs/dbraw/zinc/83/59/42/719835942.db2.gz QKKAARXJVLBZGU-UHFFFAOYSA-N 0 0 442.293 4.336 20 0 IIADRN O=C1COC2(CCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)CC2)CN1c1ccccc1 ZINC001164695411 719836512 /nfs/dbraw/zinc/83/65/12/719836512.db2.gz MQQOQNCHXOKCDT-UHFFFAOYSA-N 0 0 446.885 4.164 20 0 IIADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc(-c2ccccc2)c2ccccc2n1 ZINC001164707209 719866903 /nfs/dbraw/zinc/86/69/03/719866903.db2.gz RIIJGUPIYDVBQU-IDISGSTGSA-N 0 0 445.563 4.135 20 0 IIADRN FC(F)(c1cccc2c(Cl)nccc21)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164803902 720049353 /nfs/dbraw/zinc/04/93/53/720049353.db2.gz KYXCXSCJTQBHRU-KKSFZXQISA-N 0 0 448.901 4.084 20 0 IIADRN Cc1noc([C@]23COC[C@H]2CN(C(F)(F)c2cnc(Cl)c(-c4cccc(C)c4)c2)C3)n1 ZINC001164808548 720064091 /nfs/dbraw/zinc/06/40/91/720064091.db2.gz HZPKMGHYDBPJIJ-DYESRHJHSA-N 0 0 446.885 4.351 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3ccc(OC)cc3)nnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164710743 720066443 /nfs/dbraw/zinc/06/64/43/720066443.db2.gz GJOQTWNAYMCTLS-GUDVDZBRSA-N 0 0 439.890 4.123 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)cc2Cl)cs1 ZINC001164817421 720250687 /nfs/dbraw/zinc/25/06/87/720250687.db2.gz RDANKBQNTZVZOB-GJZGRUSLSA-N 0 0 447.338 4.468 20 0 IIADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3[C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)O2)n1 ZINC001164830585 720410034 /nfs/dbraw/zinc/41/00/34/720410034.db2.gz SHQWNRBWYOCLET-OEMYIYORSA-N 0 0 445.882 4.115 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)CC[C@H]21)N1CCCCC1 ZINC001164832217 720497229 /nfs/dbraw/zinc/49/72/29/720497229.db2.gz JGPZUWIBEJXGDJ-BMFZPTHFSA-N 0 0 448.341 4.177 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)CC[C@@H]21)N1CCCCC1 ZINC001164830677 720498318 /nfs/dbraw/zinc/49/83/18/720498318.db2.gz CJOGZXZHUFGGKM-KMFMINBZSA-N 0 0 448.341 4.177 20 0 IIADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164735822 720537286 /nfs/dbraw/zinc/53/72/86/720537286.db2.gz RWCWPMPMEWHFCZ-FZKQIMNGSA-N 0 0 445.297 4.178 20 0 IIADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164735824 720537579 /nfs/dbraw/zinc/53/75/79/720537579.db2.gz RWCWPMPMEWHFCZ-UGSOOPFHSA-N 0 0 445.297 4.178 20 0 IIADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164850739 720771652 /nfs/dbraw/zinc/77/16/52/720771652.db2.gz XSGXUEMLAZBVOS-KFWWJZLASA-N 0 0 445.297 4.066 20 0 IIADRN FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164845855 720772666 /nfs/dbraw/zinc/77/26/66/720772666.db2.gz GJSWDEHNZHDXRF-KBMXLJTQSA-N 0 0 445.297 4.066 20 0 IIADRN COc1ccc(C(F)(F)N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c(Cl)n1 ZINC001164849454 720773100 /nfs/dbraw/zinc/77/31/00/720773100.db2.gz SLMZFAXMBGPYRN-JQHSSLGASA-N 0 0 439.890 4.027 20 0 IIADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4c5c(nnc4Cl)CCC5)C3)C2=O)c1 ZINC001164850636 720808445 /nfs/dbraw/zinc/80/84/45/720808445.db2.gz JRAVWCQLEJMACI-QFIPXVFZSA-N 0 0 446.929 4.101 20 0 IIADRN COc1ccc2nc(C(F)(F)N3CCOC[C@H]3c3csc(C)n3)nc(Cl)c2c1 ZINC001164749358 720864381 /nfs/dbraw/zinc/86/43/81/720864381.db2.gz NBZWAVNNUISRQW-HNNXBMFYSA-N 0 0 426.876 4.180 20 0 IIADRN Cc1nc([C@H]2COCCN2c2nc(CN3CCCC3)nc3sc(C)c(C)c32)cs1 ZINC001164753019 720864711 /nfs/dbraw/zinc/86/47/11/720864711.db2.gz VELONVZYMOFSMJ-QGZVFWFLSA-N 0 0 429.615 4.247 20 0 IIADRN FC(F)(c1cccc2c(Cl)nccc21)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@@H]21 ZINC001164760932 721007917 /nfs/dbraw/zinc/00/79/17/721007917.db2.gz RBYKBYSUIFPRQD-HOJAQTOUSA-N 0 0 431.870 4.249 20 0 IIADRN Fc1ccc(C(F)(F)N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1Cl ZINC001164757976 721026550 /nfs/dbraw/zinc/02/65/50/721026550.db2.gz HBMZXLWAXYTYNG-BEFAXECRSA-N 0 0 427.854 4.159 20 0 IIADRN Fc1ccc(C(F)(F)N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1Cl ZINC001164757980 721026935 /nfs/dbraw/zinc/02/69/35/721026935.db2.gz HBMZXLWAXYTYNG-KXBFYZLASA-N 0 0 427.854 4.159 20 0 IIADRN FC(F)(c1nc(Cl)ncc1Cl)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164769255 721027192 /nfs/dbraw/zinc/02/71/92/721027192.db2.gz VWLASBBRUOTGKR-RDTXWAMCSA-N 0 0 445.297 4.068 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(Cl)c2)n1 ZINC001164770916 721050878 /nfs/dbraw/zinc/05/08/78/721050878.db2.gz LEUMQWWNDLKLAG-HUUCEWRRSA-N 0 0 427.282 4.017 20 0 IIADRN CSc1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)nc1Cl ZINC001164773003 721053578 /nfs/dbraw/zinc/05/35/78/721053578.db2.gz RENCPECGGQRKSX-HUUCEWRRSA-N 0 0 438.931 4.085 20 0 IIADRN FC(F)(N1CCC2(CC1)CN(c1ccccn1)CCO2)C1(c2ccnc(Cl)c2)CC1 ZINC001164872287 721222908 /nfs/dbraw/zinc/22/29/08/721222908.db2.gz MVXOTTXPFILZQW-UHFFFAOYSA-N 0 0 434.918 4.126 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C[C@H]32)N=C1C ZINC001164875898 721233452 /nfs/dbraw/zinc/23/34/52/721233452.db2.gz YJYOKNRXASUFNF-FQELHTAISA-N 0 0 432.902 4.299 20 0 IIADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164873419 721253694 /nfs/dbraw/zinc/25/36/94/721253694.db2.gz IJPOHTWSLWBRBP-XPGWFJOJSA-N 0 0 435.902 4.369 20 0 IIADRN O=C(NC[C@H]1CCC[C@]2(CCN(C(F)(F)c3ccnc(Cl)c3)C2)O1)c1ccccc1 ZINC001164880135 721254443 /nfs/dbraw/zinc/25/44/43/721254443.db2.gz ZXEDKOIZHWKRMU-WIYYLYMNSA-N 0 0 435.902 4.228 20 0 IIADRN FC(F)(c1cc(Cl)ncc1Cl)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164764601 721271958 /nfs/dbraw/zinc/27/19/58/721271958.db2.gz HMIGBYRGEZLPIK-ZDUSSCGKSA-N 0 0 440.281 4.240 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2CN(C(=O)c3ccsc3)CCO[C@@H]2C1 ZINC001164876591 721298180 /nfs/dbraw/zinc/29/81/80/721298180.db2.gz JCRQNFSIYNKBKT-GDBMZVCRSA-N 0 0 441.931 4.017 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164878782 721316534 /nfs/dbraw/zinc/31/65/34/721316534.db2.gz PNPXPWFNCNHUOR-INIZCTEOSA-N 0 0 426.294 4.434 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)C[C@H]2C)C1=O ZINC001164779576 721318546 /nfs/dbraw/zinc/31/85/46/721318546.db2.gz ZDRDSPAFQSBVDR-ADLMAVQZSA-N 0 0 429.298 4.176 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C[C@H]2C)C1=O ZINC001164777235 721321230 /nfs/dbraw/zinc/32/12/30/721321230.db2.gz JBTDPZZVXAJIRI-KZULUSFZSA-N 0 0 426.920 4.098 20 0 IIADRN COc1cc(C(F)(F)N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)cc(Cl)n1 ZINC001164777908 721325092 /nfs/dbraw/zinc/32/50/92/721325092.db2.gz MUBFTVZPWRRINA-CQSZACIVSA-N 0 0 443.853 4.030 20 0 IIADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1ccnc(Cl)c1F)CC2 ZINC001164778975 721325365 /nfs/dbraw/zinc/32/53/65/721325365.db2.gz SJXYYNKKQTXHLF-LBPRGKRZSA-N 0 0 431.817 4.160 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001164777609 721326402 /nfs/dbraw/zinc/32/64/02/721326402.db2.gz OSONUCXXLBDFDV-AWEZNQCLSA-N 0 0 427.854 4.329 20 0 IIADRN CN(C)C1=NOC2(C1)CCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)CC2 ZINC001164878081 721326999 /nfs/dbraw/zinc/32/69/99/721326999.db2.gz YLBVPSUEBZMPBA-UHFFFAOYSA-N 0 0 436.890 4.461 20 0 IIADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)N1c1ccsc1 ZINC001164885077 721358748 /nfs/dbraw/zinc/35/87/48/721358748.db2.gz WPTKNFROPOGKIH-HUUCEWRRSA-N 0 0 447.898 4.183 20 0 IIADRN O=C1CO[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@H]2N1c1cccc(F)c1 ZINC001164883920 721365965 /nfs/dbraw/zinc/36/59/65/721365965.db2.gz RYQHZCIXKFCYIQ-RTBURBONSA-N 0 0 447.844 4.193 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164779627 721382760 /nfs/dbraw/zinc/38/27/60/721382760.db2.gz BKMUFLGIJUCMJS-JXFKEZNVSA-N 0 0 441.881 4.406 20 0 IIADRN c1csc(-c2csc3ncnc(N4C[C@@H]5CN(Cc6nccs6)C[C@H]5C4)c23)c1 ZINC001164782829 721400746 /nfs/dbraw/zinc/40/07/46/721400746.db2.gz FWZLYLGTZYTBKE-KBPBESRZSA-N 0 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Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2ccc(Cl)nn2)CCO3)cs1 ZINC001164785110 721443321 /nfs/dbraw/zinc/44/33/21/721443321.db2.gz ROKPLOCWKBXROA-RDTXWAMCSA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2nccnc2Cl)CCO3)cs1 ZINC001164787272 721445015 /nfs/dbraw/zinc/44/50/15/721445015.db2.gz WQNAQMRXVCDWKF-KBXCAEBGSA-N 0 0 444.935 4.032 20 0 IIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)CC[C@H]21 ZINC001164890161 721463094 /nfs/dbraw/zinc/46/30/94/721463094.db2.gz JETFJWOPXVXQRH-SWLSCSKDSA-N 0 0 426.870 4.050 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC[C@H]21 ZINC001164890675 721467303 /nfs/dbraw/zinc/46/73/03/721467303.db2.gz KWQHKHVLCBIBAK-VQIMIIECSA-N 0 0 434.918 4.425 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)Cc2cnn(C)c21 ZINC001164791830 721477727 /nfs/dbraw/zinc/47/77/27/721477727.db2.gz JWRFYKKNYIKWSH-SNVBAGLBSA-N 0 0 425.694 4.461 20 0 IIADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3cc(C)nnc3Cl)CC2)c2ccc(C)cc21 ZINC001164899372 721492567 /nfs/dbraw/zinc/49/25/67/721492567.db2.gz KDDVEONYGZWAFO-GOSISDBHSA-N 0 0 449.933 4.204 20 0 IIADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@H]3C2)c(Cl)n1 ZINC001164901901 721498898 /nfs/dbraw/zinc/49/88/98/721498898.db2.gz XGOZYMONKLIUKX-RLFYNMQTSA-N 0 0 428.907 4.488 20 0 IIADRN O=C(Nc1cccnc1Cl)OCC(F)(F)N1C[C@@H]2CCC[C@@H](OCC3CC3)[C@H]2C1 ZINC001164899900 721499529 /nfs/dbraw/zinc/49/95/29/721499529.db2.gz MGRXHDAOAGXIPA-YQQAZPJKSA-N 0 0 429.895 4.403 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164808376 721530143 /nfs/dbraw/zinc/53/01/43/721530143.db2.gz RRRKXARQWDUUBA-ZHALLVOQSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(C(C)(C)C)sc32)[C@H]2CCCO[C@@H]12 ZINC001164805312 721540878 /nfs/dbraw/zinc/54/08/78/721540878.db2.gz LRCDRANNAFEDFM-QKNQBKEWSA-N 0 0 437.613 4.252 20 0 IIADRN CN(C)C(=O)[C@H]1CC12CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)CC2 ZINC001164901127 721571656 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KCWKMDPSYQIYGQ-PXNSSMCTSA-N 0 0 438.906 4.124 20 0 IIADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)c2nc(Cl)nc4[nH]cnc42)C3)c1 ZINC001164804042 721601527 /nfs/dbraw/zinc/60/15/27/721601527.db2.gz WKAASFZKCPICDR-QRWLVFNGSA-N 0 0 448.905 4.030 20 0 IIADRN Cc1cc(C(F)(F)N2CCC3(CCOC[C@H]3COc3cccnc3)CC2)c(Cl)nn1 ZINC001164803866 721603914 /nfs/dbraw/zinc/60/39/14/721603914.db2.gz WPUYBOVUAJCOJW-INIZCTEOSA-N 0 0 438.906 4.080 20 0 IIADRN Cc1cccc(Oc2nc(Cl)ncc2N2CCCn3c(CN(C)C(C)C)nnc3C2)c1 ZINC001165011036 721720547 /nfs/dbraw/zinc/72/05/47/721720547.db2.gz MONBJPUZRDJONS-UHFFFAOYSA-N 0 0 441.967 4.073 20 0 IIADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1C[C@H](OCC2CC2)[C@@H]2COC[C@H]21 ZINC001165016366 721762291 /nfs/dbraw/zinc/76/22/91/721762291.db2.gz WGBYHABVIWUGAU-WQVCFCJDSA-N 0 0 430.282 4.112 20 0 IIADRN CSc1cc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc(SC)n1 ZINC001164909504 721765681 /nfs/dbraw/zinc/76/56/81/721765681.db2.gz BOVIGBYXFPMOOU-UHFFFAOYSA-N 0 0 427.599 4.103 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)[C@@H]2C1 ZINC001165018688 721771270 /nfs/dbraw/zinc/77/12/70/721771270.db2.gz UUJGETOSTOVYET-RHSMWYFYSA-N 0 0 432.858 4.162 20 0 IIADRN O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001165022212 721784352 /nfs/dbraw/zinc/78/43/52/721784352.db2.gz QHJUYLLQMYCJTE-OAQYLSRUSA-N 0 0 443.885 4.247 20 0 IIADRN O=C1[C@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C[C@@H]2CN1c1cccnc1 ZINC001165020821 721791700 /nfs/dbraw/zinc/79/17/00/721791700.db2.gz LRUIKKOIZQDLQG-KOLCDFICSA-N 0 0 433.673 4.081 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164919529 721810218 /nfs/dbraw/zinc/81/02/18/721810218.db2.gz ZBTWIYBNOROZQD-QIIPPGSGSA-N 0 0 429.920 4.245 20 0 IIADRN CSc1ccc(C(F)(F)N2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)nc1Cl ZINC001164927721 721839191 /nfs/dbraw/zinc/83/91/91/721839191.db2.gz VKIQNLOUGBVLLB-KUHUBIRLSA-N 0 0 441.931 4.066 20 0 IIADRN CSc1ccc(C(F)(F)N2C[C@H]3COC[C@]3(COCc3ccccn3)C2)nc1Cl ZINC001164927724 721839214 /nfs/dbraw/zinc/83/92/14/721839214.db2.gz VKIQNLOUGBVLLB-LIRRHRJNSA-N 0 0 441.931 4.066 20 0 IIADRN FC(F)(c1cccc2ccnc(Cl)c21)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164923832 721839426 /nfs/dbraw/zinc/83/94/26/721839426.db2.gz KKXYMDRBQGCSLD-VGSWGCGISA-N 0 0 445.897 4.498 20 0 IIADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164926139 721840660 /nfs/dbraw/zinc/84/06/60/721840660.db2.gz QFSCZGRCLABEOR-GCJKJVERSA-N 0 0 445.897 4.498 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@@H]21)NC1CCC1 ZINC001164931206 721895849 /nfs/dbraw/zinc/89/58/49/721895849.db2.gz DOPXNTNGKMBVPS-BPAFIMBUSA-N 0 0 449.929 4.333 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@H]21)NC1CCC1 ZINC001164934903 721896775 /nfs/dbraw/zinc/89/67/75/721896775.db2.gz UBLUNVZGRZELDY-NBQZKYEYSA-N 0 0 449.929 4.333 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC[C@H]21)NC1CCC1 ZINC001164929869 721898085 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YXAFPRBRURMENQ-UONOGXRCSA-N 0 0 440.885 4.333 20 0 IIADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(c1nc(Cl)ccc1CN1CCCC1)C2 ZINC001164954522 722006098 /nfs/dbraw/zinc/00/60/98/722006098.db2.gz XKIWOCMIKQJUDF-UHFFFAOYSA-N 0 0 449.002 4.456 20 0 IIADRN Cc1cccc(-c2cc(C(F)(F)N3CCN(CCc4ccccn4)CC3)c(Cl)nn2)c1 ZINC001165054834 722021038 /nfs/dbraw/zinc/02/10/38/722021038.db2.gz FHHXBKBIYDGMKD-UHFFFAOYSA-N 0 0 443.929 4.410 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cc(Cl)ncc1Cl ZINC001164965076 722028018 /nfs/dbraw/zinc/02/80/18/722028018.db2.gz ZOBPVQPCKSAQIJ-LZWOXQAQSA-N 0 0 434.245 4.283 20 0 IIADRN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)C2 ZINC001164962006 722033609 /nfs/dbraw/zinc/03/36/09/722033609.db2.gz WUJZLXJMEKOSPC-PGRDOPGGSA-N 0 0 442.897 4.361 20 0 IIADRN O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164957091 722033946 /nfs/dbraw/zinc/03/39/46/722033946.db2.gz LMRPBQULDYOUQP-AVRDEDQJSA-N 0 0 442.897 4.361 20 0 IIADRN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164957093 722034155 /nfs/dbraw/zinc/03/41/55/722034155.db2.gz LMRPBQULDYOUQP-PGRDOPGGSA-N 0 0 442.897 4.361 20 0 IIADRN O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164962098 722035770 /nfs/dbraw/zinc/03/57/70/722035770.db2.gz XHGIDNHGYANCGA-RXVVDRJESA-N 0 0 432.902 4.085 20 0 IIADRN COc1cccc(-c2cc(C(F)(F)N3C[C@H]4[C@@H](C3)[C@@H]4NC(=O)C(C)C)cnc2Cl)c1 ZINC001164958523 722040181 /nfs/dbraw/zinc/04/01/81/722040181.db2.gz FIFDPOBEFAVBNO-BWTSREIZSA-N 0 0 435.902 4.162 20 0 IIADRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4c5c(nnc4Cl)CCC5)C3)CC2=O)s1 ZINC001164965435 722044410 /nfs/dbraw/zinc/04/44/10/722044410.db2.gz YPTJVNYUMOWNRB-IBGZPJMESA-N 0 0 438.931 4.167 20 0 IIADRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cccc2ccnc(Cl)c21 ZINC001164964497 722064836 /nfs/dbraw/zinc/06/48/36/722064836.db2.gz HAWSTQAXPPTXJE-JKSUJKDBSA-N 0 0 434.899 4.383 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164968277 722078019 /nfs/dbraw/zinc/07/80/19/722078019.db2.gz ZGJDMGXLZWXMJQ-IYBDPMFKSA-N 0 0 425.932 4.308 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCC3(CC2)Cc2ccccc2CNC3=O)c1 ZINC001164967354 722078422 /nfs/dbraw/zinc/07/84/22/722078422.db2.gz BHDSVVKRHXBKFI-UHFFFAOYSA-N 0 0 437.943 4.461 20 0 IIADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164970615 722082780 /nfs/dbraw/zinc/08/27/80/722082780.db2.gz ZFKLEKROLQAJQC-UHFFFAOYSA-N 0 0 449.870 4.414 20 0 IIADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164969369 722082844 /nfs/dbraw/zinc/08/28/44/722082844.db2.gz NSQIYAIBSWNJSC-UHFFFAOYSA-N 0 0 427.238 4.458 20 0 IIADRN CC(=O)N1CCC[C@]2(C1)CN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)CCO2 ZINC001164970538 722083509 /nfs/dbraw/zinc/08/35/09/722083509.db2.gz YUELCZRNNRXEHA-IBGZPJMESA-N 0 0 444.309 4.304 20 0 IIADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1cc(Cl)nc(Cl)n1)CC2 ZINC001164973584 722091155 /nfs/dbraw/zinc/09/11/55/722091155.db2.gz LBBBXGJIPLZSTR-ZDUSSCGKSA-N 0 0 433.330 4.241 20 0 IIADRN COc1cc(C(F)(F)N2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)cc(Cl)n1 ZINC001164973515 722091160 /nfs/dbraw/zinc/09/11/60/722091160.db2.gz KQCXQNXKIWLZNK-HNNXBMFYSA-N 0 0 427.923 4.201 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)C[C@H]21 ZINC001164974434 722096928 /nfs/dbraw/zinc/09/69/28/722096928.db2.gz CWJHUXUFDKZVHI-ZMSDIMECSA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3Cl)C[C@H]21 ZINC001164976287 722096938 /nfs/dbraw/zinc/09/69/38/722096938.db2.gz GQOKUQPQSBBICA-JJRVBVJISA-N 0 0 441.309 4.479 20 0 IIADRN O=C1CC2(CCN(C(F)(F)c3ccnc(Cl)n3)CC2)c2ccccc2N1CC1CC1 ZINC001164972757 722160730 /nfs/dbraw/zinc/16/07/30/722160730.db2.gz JLEJKPWFWACMSG-UHFFFAOYSA-N 0 0 432.902 4.360 20 0 IIADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C2)C1=O ZINC001164979803 722162816 /nfs/dbraw/zinc/16/28/16/722162816.db2.gz LACPTJBFLNVPGA-QFIPXVFZSA-N 0 0 440.881 4.466 20 0 IIADRN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164976018 722165709 /nfs/dbraw/zinc/16/57/09/722165709.db2.gz JBOUNYXYEPPNPX-QRWLVFNGSA-N 0 0 440.922 4.491 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5sc(C(C)C)cc54)CC[C@@H]32)cs1 ZINC001164987269 722174306 /nfs/dbraw/zinc/17/43/06/722174306.db2.gz NIHMZUOTFXHJGL-RBUKOAKNSA-N 0 0 443.642 4.449 20 0 IIADRN CSc1cc(Cl)ncc1N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@@H]2CC1 ZINC001164989206 722179948 /nfs/dbraw/zinc/17/99/48/722179948.db2.gz LMBAMYVFCDAXIR-NVXWUHKLSA-N 0 0 425.023 4.092 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc5ccc(C)cc5nc4Cl)CC[C@@H]32)cs1 ZINC001164993858 722180809 /nfs/dbraw/zinc/18/08/09/722180809.db2.gz XGRIBCAEJHYEKM-PMACEKPBSA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cc(Cl)ncc4F)CC[C@@H]32)cs1 ZINC001164985957 722181349 /nfs/dbraw/zinc/18/13/49/722181349.db2.gz CTLVBJUCYRBEPZ-DLBZAZTESA-N 0 0 446.926 4.054 20 0 IIADRN COc1ccc2nc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@@H]4CC3)cc(C)c2c1 ZINC001164994574 722181806 /nfs/dbraw/zinc/18/18/06/722181806.db2.gz ZJWNXAWLMNEYPE-DHIUTWEWSA-N 0 0 438.597 4.187 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)cc(C(C)(C)C)n4)CC[C@H]32)cs1 ZINC001164992364 722184627 /nfs/dbraw/zinc/18/46/27/722184627.db2.gz VZUDCCGAGNGXFI-IAGOWNOFSA-N 0 0 436.025 4.062 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5ccc(C(C)C)cc54)CC[C@H]32)cs1 ZINC001164989074 722185317 /nfs/dbraw/zinc/18/53/17/722185317.db2.gz OEIMFQSQHNRPIB-PKTZIBPZSA-N 0 0 437.613 4.388 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(C)nc(-c5cccs5)n4)CC[C@@H]32)cs1 ZINC001164988998 722185693 /nfs/dbraw/zinc/18/56/93/722185693.db2.gz NRMNUXYLPKNGNV-RBUKOAKNSA-N 0 0 441.626 4.148 20 0 IIADRN CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)[C@H]2C1 ZINC001164996993 722215841 /nfs/dbraw/zinc/21/58/41/722215841.db2.gz PPGDEPMTCUHINJ-XDTLVQLUSA-N 0 0 442.721 4.095 20 0 IIADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1nccnc1Cl)CC2 ZINC001164996776 722221614 /nfs/dbraw/zinc/22/16/14/722221614.db2.gz AGGGJBIFAVKZOB-SFHVURJKSA-N 0 0 432.902 4.255 20 0 IIADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001165002453 722247908 /nfs/dbraw/zinc/24/79/08/722247908.db2.gz YMFNRCCCFRGPRT-UHFFFAOYSA-N 0 0 440.237 4.131 20 0 IIADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)c2cccnc2Cl)CC3)cs1 ZINC001165005211 722272293 /nfs/dbraw/zinc/27/22/93/722272293.db2.gz FUVZHOOFYGKVJY-HNNXBMFYSA-N 0 0 429.920 4.390 20 0 IIADRN C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123268810 939817535 /nfs/dbraw/zinc/81/75/35/939817535.db2.gz UFMSBENQDTWNLO-AOMKIAJQSA-N 0 0 432.973 4.056 20 0 IIADRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123372516 939822800 /nfs/dbraw/zinc/82/28/00/939822800.db2.gz OKMOLULGWVRNEG-SBUREZEXSA-N 0 0 448.485 4.120 20 0 IIADRN O=C([O-])[C@@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000426725832 1126083131 /nfs/dbraw/zinc/08/31/31/1126083131.db2.gz FHJXZIXXACETRO-HXUWFJFHSA-N 0 0 438.940 4.435 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000426756596 1126088136 /nfs/dbraw/zinc/08/81/36/1126088136.db2.gz LGVWLYDFIOEQIU-GOSISDBHSA-N 0 0 430.277 4.336 20 0 IIADRN Cc1nc(COc2ccc(C[NH2+][C@H](Cc3c[nH]c4cc(F)ccc34)C(=O)[O-])cc2)cs1 ZINC000426769075 1126089501 /nfs/dbraw/zinc/08/95/01/1126089501.db2.gz FUUDWTAJSALTOG-JOCHJYFZSA-N 0 0 439.512 4.436 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000426777865 1126090074 /nfs/dbraw/zinc/09/00/74/1126090074.db2.gz RHFIRQBHJWLMCN-NRFANRHFSA-N 0 0 439.895 4.433 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000426793724 1126090871 /nfs/dbraw/zinc/09/08/71/1126090871.db2.gz RHAGKVJBHJWEHQ-IBGZPJMESA-N 0 0 430.277 4.336 20 0 IIADRN O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000426746268 1126086346 /nfs/dbraw/zinc/08/63/46/1126086346.db2.gz JITFJHQDWGPYDW-FQEVSTJZSA-N 0 0 438.940 4.435 20 0 IIADRN COc1cccc(C[C@@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)C(=O)[O-])c1 ZINC000426810376 1126091950 /nfs/dbraw/zinc/09/19/50/1126091950.db2.gz YYIFTZNMPBRTFT-MRXNPFEDSA-N 0 0 432.236 4.262 20 0 IIADRN Cn1c2ccc(C(F)(F)F)cc2nc1CN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000675472914 1126105071 /nfs/dbraw/zinc/10/50/71/1126105071.db2.gz GDTPPGVBONNQJS-CRAIPNDOSA-N 0 0 431.380 4.216 20 0 IIADRN Cc1cc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])cc(C)c1OC(F)F ZINC000756385758 1126108380 /nfs/dbraw/zinc/10/83/80/1126108380.db2.gz SVWAOQHBFLYDJF-MRXNPFEDSA-N 0 0 428.273 4.453 20 0 IIADRN COc1ccc(N(C(C)=O)c2nc(CN[C@@H](CO)Cc3ccc(C)c(C)c3)cs2)cc1 ZINC001462314556 1126197600 /nfs/dbraw/zinc/19/76/00/1126197600.db2.gz UHTOCQMZOLJLGA-HXUWFJFHSA-N 0 0 439.581 4.146 20 0 IIADRN Cc1cc2n(n1)c1ccccc1c(=O)n2C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012904305 525663263 /nfs/dbraw/zinc/66/32/63/525663263.db2.gz ZBKXVAHAACLNQK-NRFANRHFSA-N 0 0 425.488 4.065 20 0 IIADRN O=C1c2ccccc2[C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)C[C@H]12 ZINC001164400017 718846331 /nfs/dbraw/zinc/84/63/31/718846331.db2.gz NLTYESJWVAHLSJ-UXHICEINSA-N 0 0 430.939 4.105 20 0 IIADRN F[C@@]1(N2CC3(C2)CCCOC3)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164414743 718882644 /nfs/dbraw/zinc/88/26/44/718882644.db2.gz WRUXKISYIOBPTP-OAQYLSRUSA-N 0 0 437.346 4.034 20 0 IIADRN O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2CCCO[C@H]2C1 ZINC001164419697 718897777 /nfs/dbraw/zinc/89/77/77/718897777.db2.gz IXPZGRQNZAEXMO-WBVHZDCISA-N 0 0 437.874 4.037 20 0 IIADRN C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4C[C@@H]5OCC(F)(F)[C@@H]5C4)c32)C1 ZINC001164423041 718929403 /nfs/dbraw/zinc/92/94/03/718929403.db2.gz DBMOEYOMKKMUDU-OIISXLGYSA-N 0 0 448.583 4.272 20 0 IIADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164434815 718976381 /nfs/dbraw/zinc/97/63/81/718976381.db2.gz VUGFAPDDGADEPJ-RDTXWAMCSA-N 0 0 446.281 4.030 20 0 IIADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164432011 718978836 /nfs/dbraw/zinc/97/88/36/718978836.db2.gz DQEGOYHCUUPMEI-IAQYHMDHSA-N 0 0 429.678 4.135 20 0 IIADRN CCOC(=O)[C@@]12C[C@@H]1CCN2C(F)(F)c1cnc(Cl)nc1-c1cn(C)c2ccccc12 ZINC001164622412 719040747 /nfs/dbraw/zinc/04/07/47/719040747.db2.gz KUAQBUXLONCJHL-YEJXKQKISA-N 0 0 446.885 4.366 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)COc4cccc(Cl)n4)C[C@@H]3O2)n1 ZINC001164641622 719261448 /nfs/dbraw/zinc/26/14/48/719261448.db2.gz VVTLEPARVFVJDY-PVAVHDDUSA-N 0 0 438.906 4.472 20 0 IIADRN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164649403 719289552 /nfs/dbraw/zinc/28/95/52/719289552.db2.gz WNWWGLNYQQDMBA-WCQGTBRESA-N 0 0 430.933 4.264 20 0 IIADRN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164649401 719289584 /nfs/dbraw/zinc/28/95/84/719289584.db2.gz WNWWGLNYQQDMBA-MVWJERBFSA-N 0 0 430.933 4.264 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164649361 719292128 /nfs/dbraw/zinc/29/21/28/719292128.db2.gz WKIXSKUEDMZYCC-RKVPGOIHSA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164650684 719292776 /nfs/dbraw/zinc/29/27/76/719292776.db2.gz ZYCPFXLMPQOUAP-ZCNNSNEGSA-N 0 0 446.885 4.176 20 0 IIADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)C[C@H]3O2)n1 ZINC001164656162 719299065 /nfs/dbraw/zinc/29/90/65/719299065.db2.gz WOCGYEFWLWMKNV-NZVBXONLSA-N 0 0 439.825 4.015 20 0 IIADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cccc(-c5ccc(Cl)nn5)c4)C[C@H]3O2)n1 ZINC001164646371 719300943 /nfs/dbraw/zinc/30/09/43/719300943.db2.gz ATJJNPTYQGJMQN-FHLIZLRMSA-N 0 0 447.873 4.390 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)C[C@@H]2CCCO[C@H]12 ZINC001164655414 719303056 /nfs/dbraw/zinc/30/30/56/719303056.db2.gz UGVSWSOMCNYOJS-KLHJMIIUSA-N 0 0 435.902 4.039 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1ncnc3c(-c4ccccc4)nsc31)CC2 ZINC001164650153 719315743 /nfs/dbraw/zinc/31/57/43/719315743.db2.gz AOJRKHPIBSGMNC-UHFFFAOYSA-N 0 0 433.585 4.155 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1cnc(Cl)nc1Oc1ccccc1)CC2 ZINC001164649203 719317391 /nfs/dbraw/zinc/31/73/91/719317391.db2.gz ABDDGBIBVUMXKO-UHFFFAOYSA-N 0 0 426.952 4.324 20 0 IIADRN CSc1nc(Cl)cc(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@H]32)n1 ZINC001164663216 719342366 /nfs/dbraw/zinc/34/23/66/719342366.db2.gz WVRVDMDCGCOXKM-CPUCHLNUSA-N 0 0 433.952 4.340 20 0 IIADRN COC(=O)c1ccc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCC2CCCC2)c(Cl)n1 ZINC001164659819 719343073 /nfs/dbraw/zinc/34/30/73/719343073.db2.gz FIXMDQMMAYKCSK-SQNIBIBYSA-N 0 0 444.906 4.010 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)c2nc(Cl)ncc2Cl)Cc2nn(CC3CC3)cc21 ZINC001164662710 719363196 /nfs/dbraw/zinc/36/31/96/719363196.db2.gz FCIRTISIEJFELE-GFCCVEGCSA-N 0 0 432.302 4.075 20 0 IIADRN CCOC[C@H]1CN(c2nc(Cl)ccc2CN2CCCC2)Cc2nn(CC3CC3)cc21 ZINC001164665464 719363527 /nfs/dbraw/zinc/36/35/27/719363527.db2.gz XAYROBQBNVENAL-LJQANCHMSA-N 0 0 429.996 4.078 20 0 IIADRN CCOC[C@@H]1CN(C(F)(F)c2cc(C3CC3)nnc2Cl)Cc2nn(CC3CC3)cc21 ZINC001164664839 719364189 /nfs/dbraw/zinc/36/41/89/719364189.db2.gz SUZTZQIVRNOCIN-HNNXBMFYSA-N 0 0 437.922 4.299 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2cccc(Cl)n2)CC3)cc1 ZINC001164671048 719492655 /nfs/dbraw/zinc/49/26/55/719492655.db2.gz ZCSSDONDXIFHKN-UHFFFAOYSA-N 0 0 425.882 4.290 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2csc4ncnc(Cl)c24)CC3)cc1 ZINC001164674473 719505225 /nfs/dbraw/zinc/50/52/25/719505225.db2.gz YAVVWIQQZAQPPU-UHFFFAOYSA-N 0 0 432.952 4.355 20 0 IIADRN CSc1nc2ccccc2c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1 ZINC001164673390 719509930 /nfs/dbraw/zinc/50/99/30/719509930.db2.gz RMNZBRNTNZWYGS-UHFFFAOYSA-N 0 0 438.572 4.362 20 0 IIADRN O=C([C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)CC12CCOCC2)N1CC=CC1 ZINC001164676838 719559626 /nfs/dbraw/zinc/55/96/26/719559626.db2.gz GZZINBUJOXFCMD-IBGZPJMESA-N 0 0 447.913 4.065 20 0 IIADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001164676321 719566804 /nfs/dbraw/zinc/56/68/04/719566804.db2.gz AQQMIFDVWLEHEI-UHFFFAOYSA-N 0 0 442.857 4.137 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1cnc(Cl)cc1Cl)C[C@H]2COc1cccnc1 ZINC001164685775 719595661 /nfs/dbraw/zinc/59/56/61/719595661.db2.gz MHXJTPSMFKDEEK-LBPRGKRZSA-N 0 0 440.281 4.245 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C[C@H]2COc1cccnc1 ZINC001164688528 719601938 /nfs/dbraw/zinc/60/19/38/719601938.db2.gz XGWJQHQOLXCFAY-HNNXBMFYSA-N 0 0 445.901 4.469 20 0 IIADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2ccc3c(ccnc3Cl)c2)N1Cc1cccnc1 ZINC001164691105 719773453 /nfs/dbraw/zinc/77/34/53/719773453.db2.gz LOQRPJQRDALDMO-MOPGFXCFSA-N 0 0 428.870 4.208 20 0 IIADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)N1Cc1cccnc1 ZINC001164690372 719777607 /nfs/dbraw/zinc/77/76/07/719777607.db2.gz BAPDVVXKQXKRLF-MSOLQXFVSA-N 0 0 444.869 4.315 20 0 IIADRN COc1nc(Cl)ncc1C(F)(F)N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164693790 719812318 /nfs/dbraw/zinc/81/23/18/719812318.db2.gz YTMPYMHEAOASBR-UHFFFAOYSA-N 0 0 443.951 4.083 20 0 IIADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2ccc4c(Cl)ncnc4c2)CC3)cn1 ZINC001164702150 719825116 /nfs/dbraw/zinc/82/51/16/719825116.db2.gz QZJAPFVYLGRIDJ-AWEZNQCLSA-N 0 0 433.890 4.105 20 0 IIADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)Oc2cc(Cl)nc(Cl)c2)CC3)cn1 ZINC001164699594 719827218 /nfs/dbraw/zinc/82/72/18/719827218.db2.gz XWRIIZWGZUWURX-GFCCVEGCSA-N 0 0 433.286 4.090 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164717959 720066632 /nfs/dbraw/zinc/06/66/32/720066632.db2.gz ZPOGJUJASBFCOT-KZNAEPCWSA-N 0 0 427.854 4.254 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164709547 720066825 /nfs/dbraw/zinc/06/68/25/720066825.db2.gz ABGBTMCIEJZICY-RCCFBDPRSA-N 0 0 427.854 4.254 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)cc2Cl)cs1 ZINC001164817423 720251575 /nfs/dbraw/zinc/25/15/75/720251575.db2.gz RDANKBQNTZVZOB-HUUCEWRRSA-N 0 0 447.338 4.468 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc(F)c(Cl)n3)[C@H]3CCCO[C@H]23)cs1 ZINC001164820453 720387946 /nfs/dbraw/zinc/38/79/46/720387946.db2.gz BPXCSBCGLQIYBN-LZWOXQAQSA-N 0 0 433.883 4.137 20 0 IIADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C[C@@H]21 ZINC001164824345 720418893 /nfs/dbraw/zinc/41/88/93/720418893.db2.gz KUKDXXJBWNTIGX-JTDSTZFVSA-N 0 0 437.918 4.047 20 0 IIADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)C[C@H]21 ZINC001164822511 720420455 /nfs/dbraw/zinc/42/04/55/720420455.db2.gz CUZNEJOZCOXWND-IKGGRYGDSA-N 0 0 437.918 4.047 20 0 IIADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cccc(Cl)n2)C3)c1 ZINC001164725790 720490181 /nfs/dbraw/zinc/49/01/81/720490181.db2.gz KGYMADSFIYATNT-FOIQADDNSA-N 0 0 441.881 4.143 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)n1)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164734489 720536702 /nfs/dbraw/zinc/53/67/02/720536702.db2.gz JAYRFECQQLGYFL-FZKQIMNGSA-N 0 0 445.297 4.178 20 0 IIADRN Fc1cnc(Cl)cc1C(F)(F)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164733168 720538816 /nfs/dbraw/zinc/53/88/16/720538816.db2.gz BRMQGDVKRXZZIK-IFXJQAMLSA-N 0 0 427.854 4.269 20 0 IIADRN COc1ccc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)nc1Cl ZINC001164735832 720539758 /nfs/dbraw/zinc/53/97/58/720539758.db2.gz RYYCAMIQZKRKRQ-MGPUTAFESA-N 0 0 439.890 4.138 20 0 IIADRN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164734678 720541476 /nfs/dbraw/zinc/54/14/76/720541476.db2.gz KGRSGQMPRBEJOA-XOBRGWDASA-N 0 0 449.889 4.006 20 0 IIADRN O=C1CC[C@H]2[C@H](CCN2C(F)(F)Cc2nc(Cl)cc(Cl)n2)N1c1ccccc1 ZINC001164844764 720765049 /nfs/dbraw/zinc/76/50/49/720765049.db2.gz CVKMJBXFHYCWPE-KBPBESRZSA-N 0 0 427.282 4.189 20 0 IIADRN COc1ccc(C(F)(F)N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c(Cl)n1 ZINC001164849458 720773503 /nfs/dbraw/zinc/77/35/03/720773503.db2.gz SLMZFAXMBGPYRN-NXHRZFHOSA-N 0 0 439.890 4.027 20 0 IIADRN COC[C@@]12CCC[C@@H]1CN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164844630 720793147 /nfs/dbraw/zinc/79/31/47/720793147.db2.gz CKEDMQIOWGKETQ-OSPHWJPCSA-N 0 0 426.630 4.419 20 0 IIADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C3)C2=O)c1 ZINC001164848718 720808498 /nfs/dbraw/zinc/80/84/98/720808498.db2.gz DTIIVENYSMINBN-NRFANRHFSA-N 0 0 445.901 4.094 20 0 IIADRN FC(F)(c1cc2ccccc2nc1Cl)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001164760319 721007175 /nfs/dbraw/zinc/00/71/75/721007175.db2.gz OKTHHTRSGHUHEX-DBVUQKKJSA-N 0 0 431.870 4.249 20 0 IIADRN FC(F)(c1cc2ccccc2nc1Cl)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@@H]21 ZINC001164760324 721007403 /nfs/dbraw/zinc/00/74/03/721007403.db2.gz OKTHHTRSGHUHEX-VDGAXYAQSA-N 0 0 431.870 4.249 20 0 IIADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@@H]21 ZINC001164758616 721009920 /nfs/dbraw/zinc/00/99/20/721009920.db2.gz ISCNRATXKBCWDV-SNPRPXQTSA-N 0 0 449.807 4.114 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)n1)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164760032 721025955 /nfs/dbraw/zinc/02/59/55/721025955.db2.gz NJVLAORRJPNILJ-RDTXWAMCSA-N 0 0 445.297 4.068 20 0 IIADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164756982 721026337 /nfs/dbraw/zinc/02/63/37/721026337.db2.gz CANHVJDWCUEHEC-RDTXWAMCSA-N 0 0 445.297 4.068 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(Cl)c2)n1 ZINC001164774790 721050102 /nfs/dbraw/zinc/05/01/02/721050102.db2.gz YDYKPIQSVTZVJX-HZPDHXFCSA-N 0 0 427.282 4.017 20 0 IIADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164869063 721218287 /nfs/dbraw/zinc/21/82/87/721218287.db2.gz BJLHNLHGWUJGTB-UHFFFAOYSA-N 0 0 429.298 4.204 20 0 IIADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164872322 721218681 /nfs/dbraw/zinc/21/86/81/721218681.db2.gz NJRBGVCIDXEMQT-UHFFFAOYSA-N 0 0 445.901 4.099 20 0 IIADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164871284 721218779 /nfs/dbraw/zinc/21/87/79/721218779.db2.gz JMQHNDDKZMILDM-UHFFFAOYSA-N 0 0 429.298 4.204 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C[C@H]32)N=C1C ZINC001164871646 721229022 /nfs/dbraw/zinc/22/90/22/721229022.db2.gz KFZSREYEPIOXOR-FQELHTAISA-N 0 0 432.902 4.299 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C[C@@H]32)N=C1C ZINC001164875903 721233188 /nfs/dbraw/zinc/23/31/88/721233188.db2.gz YJYOKNRXASUFNF-FYINFDKHSA-N 0 0 432.902 4.299 20 0 IIADRN O=C(N1CCCC1)C12CC(C1)CN2C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164873894 721238444 /nfs/dbraw/zinc/23/84/44/721238444.db2.gz QPYCCFUIFDTQTH-UHFFFAOYSA-N 0 0 433.886 4.418 20 0 IIADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164875916 721250806 /nfs/dbraw/zinc/25/08/06/721250806.db2.gz MQDKBIVWYFACGB-SNRMKQJTSA-N 0 0 436.890 4.153 20 0 IIADRN O=C(NC[C@H]1CCC[C@]2(CCN(C(F)(F)c3cccc(Cl)n3)C2)O1)c1ccccc1 ZINC001164871878 721253523 /nfs/dbraw/zinc/25/35/23/721253523.db2.gz BCOLAPSSSKBEJF-DYESRHJHSA-N 0 0 435.902 4.228 20 0 IIADRN FC(F)(Sc1ccc(Cl)nc1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164767105 721277171 /nfs/dbraw/zinc/27/71/71/721277171.db2.gz GJHTVYQMRNGLAO-AWEZNQCLSA-N 0 0 437.903 4.180 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CC[C@H]3CN(C(=O)c4ccsc4)CCO[C@H]3C2)c1 ZINC001164874956 721298057 /nfs/dbraw/zinc/29/80/57/721298057.db2.gz FOKGMPJFYMLKQW-HOCLYGCPSA-N 0 0 441.931 4.017 20 0 IIADRN O=C1CCC2(CCN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)CC2)N1CC1CC1 ZINC001164775449 721306805 /nfs/dbraw/zinc/30/68/05/721306805.db2.gz DVMBKEUOCRBTGR-UHFFFAOYSA-N 0 0 447.917 4.108 20 0 IIADRN O=C1CCC2(CCN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)CC2)N1CC1CC1 ZINC001164777118 721306948 /nfs/dbraw/zinc/30/69/48/721306948.db2.gz QXVLXPUPPYNENW-JOCHJYFZSA-N 0 0 444.938 4.296 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164877276 721310761 /nfs/dbraw/zinc/31/07/61/721310761.db2.gz IESJKBYEKQNKKQ-AEGPPILISA-N 0 0 430.282 4.391 20 0 IIADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164874121 721310847 /nfs/dbraw/zinc/31/08/47/721310847.db2.gz BGEFGMFZLLDVLH-FHLIZLRMSA-N 0 0 446.885 4.286 20 0 IIADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164878907 721313994 /nfs/dbraw/zinc/31/39/94/721313994.db2.gz LWNIALCMIGXAJZ-JEBQAFNWSA-N 0 0 436.890 4.010 20 0 IIADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164878901 721314185 /nfs/dbraw/zinc/31/41/85/721314185.db2.gz LWNIALCMIGXAJZ-DOPJRALCSA-N 0 0 436.890 4.010 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)CC2 ZINC001164879329 721316756 /nfs/dbraw/zinc/31/67/56/721316756.db2.gz RRTCTWGVEROBDM-KRWDZBQOSA-N 0 0 442.897 4.328 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C[C@@H]2C)C1=O ZINC001164777231 721321201 /nfs/dbraw/zinc/32/12/01/721321201.db2.gz JBTDPZZVXAJIRI-KPZWWZAWSA-N 0 0 426.920 4.098 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)C[C@@H]2C)C1=O ZINC001164776911 721323004 /nfs/dbraw/zinc/32/30/04/721323004.db2.gz GKQVRMNCANISCJ-RNODOKPDSA-N 0 0 438.881 4.176 20 0 IIADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001164777685 721326619 /nfs/dbraw/zinc/32/66/19/721326619.db2.gz PFDIWTJHGZSDFP-SFHVURJKSA-N 0 0 446.954 4.072 20 0 IIADRN Nc1cc(Cl)nc(C(F)(F)N2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)c1 ZINC001164778384 721328046 /nfs/dbraw/zinc/32/80/46/721328046.db2.gz UZJVDLORUJOPKI-UHFFFAOYSA-N 0 0 438.950 4.427 20 0 IIADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CC2)N1CC=CC1 ZINC001164778460 721328996 /nfs/dbraw/zinc/32/89/96/721328996.db2.gz XFWBJOJXZBEFQK-UHFFFAOYSA-N 0 0 439.934 4.084 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3c(Cl)ccnc3Cl)C2)C1 ZINC001164779762 721348869 /nfs/dbraw/zinc/34/88/69/721348869.db2.gz VVQCUZJMZDSLLK-HXUWFJFHSA-N 0 0 425.360 4.112 20 0 IIADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)N1c1ccsc1 ZINC001164882400 721357984 /nfs/dbraw/zinc/35/79/84/721357984.db2.gz IUIOHCOUWNZFSX-LSDHHAIUSA-N 0 0 447.898 4.183 20 0 IIADRN CSc1cc(Cl)cnc1N1CCC[C@@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC001164784373 721364135 /nfs/dbraw/zinc/36/41/35/721364135.db2.gz RKSHSGMJVJVDIP-OAQYLSRUSA-N 0 0 437.009 4.181 20 0 IIADRN Fc1ccc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COCc3ccncc3)C2)nc1Cl ZINC001164784540 721383352 /nfs/dbraw/zinc/38/33/52/721383352.db2.gz PZGOOCWEMNJHMD-UZLBHIALSA-N 0 0 441.881 4.406 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164782426 721383959 /nfs/dbraw/zinc/38/39/59/721383959.db2.gz LRCDTQJVOJRTST-XLIONFOSSA-N 0 0 439.890 4.147 20 0 IIADRN CCOC(=O)c1c(Cl)c2ccccc2nc1N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164790839 721424827 /nfs/dbraw/zinc/42/48/27/721424827.db2.gz YIOFNXWTGNVLGJ-GASCZTMLSA-N 0 0 442.972 4.090 20 0 IIADRN COc1cccc(-c2nc3ccccc3c(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)n2)c1 ZINC001164786611 721431163 /nfs/dbraw/zinc/43/11/63/721431163.db2.gz PDGXZVGOYNHLKU-OALUTQOASA-N 0 0 443.576 4.330 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1CCc2ncn(C)c2[C@@H]1COCc1cccnc1 ZINC001164784810 721441496 /nfs/dbraw/zinc/44/14/96/721441496.db2.gz QTFDHCCXVUCYCF-KRWDZBQOSA-N 0 0 433.890 4.037 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cc(Cl)ncn2)CCO3)cs1 ZINC001164786392 721442779 /nfs/dbraw/zinc/44/27/79/721442779.db2.gz UXJZEFCFNOXIDK-KSSFIOAISA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@]23CN([C@@H](F)Oc2cccc(Cl)n2)CCO3)cs1 ZINC001164786749 721444119 /nfs/dbraw/zinc/44/41/19/721444119.db2.gz WCKLHCMPZJHHIF-BEVDRBHNSA-N 0 0 441.956 4.220 20 0 IIADRN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@H](CCN2C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)O1 ZINC001164887376 721455550 /nfs/dbraw/zinc/45/55/50/721455550.db2.gz JWMAZXJOVWLLMI-AABGKKOBSA-N 0 0 447.913 4.209 20 0 IIADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4cccnc4Cl)C3)C2=O)cs1 ZINC001164887400 721460547 /nfs/dbraw/zinc/46/05/47/721460547.db2.gz JXLRNZRTQADAEQ-GOSISDBHSA-N 0 0 426.920 4.064 20 0 IIADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4nc(Cl)ccc4C)C3)C2=O)cs1 ZINC001164884320 721461510 /nfs/dbraw/zinc/46/15/10/721461510.db2.gz AQGTUGSZBJCLAQ-IBGZPJMESA-N 0 0 440.947 4.372 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)CC[C@H]21 ZINC001164893176 721463440 /nfs/dbraw/zinc/46/34/40/721463440.db2.gz RMTVGGVRUBPDGW-VQIMIIECSA-N 0 0 434.918 4.425 20 0 IIADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1c[nH]c2nc(Cl)ccc12 ZINC001164891170 721475071 /nfs/dbraw/zinc/47/50/71/721475071.db2.gz BLIVLQTWRJJGBB-OAQYLSRUSA-N 0 0 445.901 4.318 20 0 IIADRN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001164789700 721475352 /nfs/dbraw/zinc/47/53/52/721475352.db2.gz BQABQSJWAVGJQA-UHFFFAOYSA-N 0 0 445.905 4.166 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)Cc2cnn(C)c21 ZINC001164790840 721476392 /nfs/dbraw/zinc/47/63/92/721476392.db2.gz GTDQSTQAXYIZMP-GFCCVEGCSA-N 0 0 442.297 4.355 20 0 IIADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CC2 ZINC001164900608 721489208 /nfs/dbraw/zinc/48/92/08/721489208.db2.gz QSYOXPBTAOVUKO-INIZCTEOSA-N 0 0 449.929 4.477 20 0 IIADRN O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CC2 ZINC001164896056 721503602 /nfs/dbraw/zinc/50/36/02/721503602.db2.gz GUWDZLMMXQXWAE-SFHVURJKSA-N 0 0 442.897 4.471 20 0 IIADRN CSc1nc(Cl)cc(C(F)(F)N2C[C@H]3CCC[C@]3(COc3ccccn3)C2)n1 ZINC001164795523 721505138 /nfs/dbraw/zinc/50/51/38/721505138.db2.gz KXUUHQCAERRAAQ-FZKQIMNGSA-N 0 0 426.920 4.477 20 0 IIADRN CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CCC[C@@]3(COc3ccccn3)C2)n1 ZINC001164795525 721505297 /nfs/dbraw/zinc/50/52/97/721505297.db2.gz KXUUHQCAERRAAQ-UGSOOPFHSA-N 0 0 426.920 4.477 20 0 IIADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3CCC[C@@]3(COc3ccccn3)C2)c1 ZINC001164795561 721506124 /nfs/dbraw/zinc/50/61/24/721506124.db2.gz LHBPAODCUCRKAD-YWZLYKJASA-N 0 0 437.874 4.147 20 0 IIADRN FC(F)(c1cnc2c(Cl)ncnc2c1)N1C[C@@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164796576 721506573 /nfs/dbraw/zinc/50/65/73/721506573.db2.gz SHMRDSNPKKKETH-XOBRGWDASA-N 0 0 431.874 4.304 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)cc3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164800641 721534299 /nfs/dbraw/zinc/53/42/99/721534299.db2.gz CVEKKJIKFPGTGW-AKFKNWHVSA-N 0 0 435.959 4.060 20 0 IIADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cccc(Cl)n1 ZINC001164901700 721577227 /nfs/dbraw/zinc/57/72/27/721577227.db2.gz HGTIDCPVQFLBFV-QGZVFWFLSA-N 0 0 440.922 4.043 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc(Cl)c3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164804353 721578894 /nfs/dbraw/zinc/57/88/94/721578894.db2.gz JQMPXDXCPQBPPQ-AKFKNWHVSA-N 0 0 435.959 4.060 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164808322 721581818 /nfs/dbraw/zinc/58/18/18/721581818.db2.gz QKVHCWPOONYGRU-ZDXQCDESSA-N 0 0 435.959 4.060 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)Sc2ccc(Cl)nc2)[C@@H]2CCCO[C@@H]12 ZINC001164805814 721590284 /nfs/dbraw/zinc/59/02/84/721590284.db2.gz LXYBRPINQOUPJJ-ZHALLVOQSA-N 0 0 440.947 4.136 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)[C@H]2CCCO[C@@H]12 ZINC001164805022 721590682 /nfs/dbraw/zinc/59/06/82/721590682.db2.gz JZRMVOSYMJYNAE-QKNQBKEWSA-N 0 0 448.945 4.118 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)[C@H]2CCCO[C@H]12 ZINC001164805025 721590691 /nfs/dbraw/zinc/59/06/91/721590691.db2.gz JZRMVOSYMJYNAE-ZVDOUQERSA-N 0 0 448.945 4.118 20 0 IIADRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001165008618 721709816 /nfs/dbraw/zinc/70/98/16/721709816.db2.gz ISOWMJXGUWEONK-UHFFFAOYSA-N 0 0 434.922 4.275 20 0 IIADRN CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001165008823 721725289 /nfs/dbraw/zinc/72/52/89/721725289.db2.gz RVYLZNMMARDKSL-IBGZPJMESA-N 0 0 426.870 4.195 20 0 IIADRN CCOC(=O)c1cc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)ncc1Cl ZINC001164907907 721746057 /nfs/dbraw/zinc/74/60/57/721746057.db2.gz CWAPIEFCFJDLQI-UHFFFAOYSA-N 0 0 440.931 4.094 20 0 IIADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@H]4COC[C@@H]43)c(Cl)nn2)c1 ZINC001165015553 721764817 /nfs/dbraw/zinc/76/48/17/721764817.db2.gz QYPVKDUWAMHDIM-SNRMKQJTSA-N 0 0 439.865 4.111 20 0 IIADRN CSc1ccc(C(F)(F)N2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@H]32)nc1Cl ZINC001165015471 721770413 /nfs/dbraw/zinc/77/04/13/721770413.db2.gz LJEZPGZYWXVSPX-CHWSQXEVSA-N 0 0 427.904 4.336 20 0 IIADRN O=C1[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)C[C@H]2CN1c1cccnc1 ZINC001165023648 721794223 /nfs/dbraw/zinc/79/42/23/721794223.db2.gz QEBPUTPOMHODJQ-WMLDXEAASA-N 0 0 432.902 4.043 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164915945 721805236 /nfs/dbraw/zinc/80/52/36/721805236.db2.gz MRSKXAOEPGXAHN-JXFKEZNVSA-N 0 0 432.858 4.040 20 0 IIADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164915866 721807575 /nfs/dbraw/zinc/80/75/75/721807575.db2.gz LVAPNOBOOVZOKH-YOEHRIQHSA-N 0 0 432.254 4.025 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC001164917824 721818867 /nfs/dbraw/zinc/81/88/67/721818867.db2.gz IOSNRZJNHAENAX-UHFFFAOYSA-N 0 0 448.571 4.443 20 0 IIADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)CC2 ZINC001165022435 721833107 /nfs/dbraw/zinc/83/31/07/721833107.db2.gz NVQCBVYFNDZJFO-UHFFFAOYSA-N 0 0 448.832 4.337 20 0 IIADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164924402 721838835 /nfs/dbraw/zinc/83/88/35/721838835.db2.gz MJFVRVRXABOYEA-PGRDOPGGSA-N 0 0 445.897 4.498 20 0 IIADRN CN1C(=O)CC[C@@H]2[C@@H]1CCN2C(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164930446 721892504 /nfs/dbraw/zinc/89/25/04/721892504.db2.gz BSRATFAUKBJVLL-QWHCGFSZSA-N 0 0 435.689 4.334 20 0 IIADRN O=C(C1=CC2(CCN([C@H](F)Oc3ccnc(Cl)c3)CC2)c2ccccc21)N1CCCC1 ZINC001164926411 721899370 /nfs/dbraw/zinc/89/93/70/721899370.db2.gz ADPUQBBLHZWUJO-QHCPKHFHSA-N 0 0 441.934 4.420 20 0 IIADRN FC(F)(c1cccc2ccnc(Cl)c21)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001164938400 721915515 /nfs/dbraw/zinc/91/55/15/721915515.db2.gz NIOLHQTTWUNXAC-UHFFFAOYSA-N 0 0 428.874 4.285 20 0 IIADRN FC(F)(c1cccc2c(Cl)nccc21)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001164937334 721915658 /nfs/dbraw/zinc/91/56/58/721915658.db2.gz CAYBHQPKEWTYTI-UHFFFAOYSA-N 0 0 428.874 4.285 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc4c(Cl)ccc(Cl)c4n3)C[C@@H]21 ZINC001164942937 721962276 /nfs/dbraw/zinc/96/22/76/721962276.db2.gz DQBJFJYJJXZRHL-RBUKOAKNSA-N 0 0 433.339 4.236 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3c(C)c(Cl)nc4cc(F)cc(F)c43)C[C@H]21 ZINC001164949930 721962636 /nfs/dbraw/zinc/96/26/36/721962636.db2.gz ZLQLMAQCNFBFMS-MOPGFXCFSA-N 0 0 448.901 4.169 20 0 IIADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(Cl)n3)C[C@H]12 ZINC001164946315 721965171 /nfs/dbraw/zinc/96/51/71/721965171.db2.gz MZMJRKNTRHSNQR-QFBILLFUSA-N 0 0 441.309 4.097 20 0 IIADRN Cc1cc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)nc2c(Cl)cccc12 ZINC001164948282 721976930 /nfs/dbraw/zinc/97/69/30/721976930.db2.gz WIPUDCDZVIIABA-UHFFFAOYSA-N 0 0 434.971 4.168 20 0 IIADRN CN1CCc2nc(Cl)nc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)c2C1 ZINC001165049956 721979838 /nfs/dbraw/zinc/97/98/38/721979838.db2.gz PVNZCDSSXDUCLJ-UHFFFAOYSA-N 0 0 442.869 4.064 20 0 IIADRN c1cc2n(c1)CCN(c1nc(CN3CCOCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001165050772 721991648 /nfs/dbraw/zinc/99/16/48/721991648.db2.gz ANYYEWGVACVLNH-UHFFFAOYSA-N 0 0 431.565 4.012 20 0 IIADRN COc1ccc2nc(C(F)(F)N3CCC[C@H](C(=O)OC(C)(C)C)C3)nc(Cl)c2c1 ZINC001165051477 721993547 /nfs/dbraw/zinc/99/35/47/721993547.db2.gz HHDWVUDTAWNDJH-LBPRGKRZSA-N 0 0 427.879 4.395 20 0 IIADRN FC(F)(F)c1nnc(N2CCN(C(F)(F)c3cnc(Cl)c(Cl)c3)CC2)s1 ZINC001165051618 721999427 /nfs/dbraw/zinc/99/94/27/721999427.db2.gz HZUORZWLWSDHRU-UHFFFAOYSA-N 0 0 434.221 4.130 20 0 IIADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1cc(C)nc(Cl)n1)C2 ZINC001164954371 722006211 /nfs/dbraw/zinc/00/62/11/722006211.db2.gz WUIKKQHUIIVCJN-UHFFFAOYSA-N 0 0 430.890 4.109 20 0 IIADRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4cnc5c(Cl)ncnc5c4)C3)CC2=O)s1 ZINC001164964876 722044170 /nfs/dbraw/zinc/04/41/70/722044170.db2.gz VXANCMFDYCFMJB-IBGZPJMESA-N 0 0 449.914 4.226 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C[C@H]21 ZINC001164957032 722048643 /nfs/dbraw/zinc/04/86/43/722048643.db2.gz HBQHBFUMBKAAAI-CRAIPNDOSA-N 0 0 444.869 4.286 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001164961147 722050532 /nfs/dbraw/zinc/05/05/32/722050532.db2.gz SCACTYKMHRVOII-UHFFFAOYSA-N 0 0 442.857 4.137 20 0 IIADRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc2ccccc2nc1Cl ZINC001164965583 722064918 /nfs/dbraw/zinc/06/49/18/722064918.db2.gz KUXPCADRUKWYKM-DLBZAZTESA-N 0 0 434.899 4.383 20 0 IIADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C[C@@H]2C1 ZINC001164977594 722084734 /nfs/dbraw/zinc/08/47/34/722084734.db2.gz XEFUCIPCHQPLAV-IRXDYDNUSA-N 0 0 446.929 4.473 20 0 IIADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C[C@@H]2C1 ZINC001164974309 722085818 /nfs/dbraw/zinc/08/58/18/722085818.db2.gz QEGPMEKAOZFQDP-IRXDYDNUSA-N 0 0 446.929 4.473 20 0 IIADRN Cc1nc(C(F)(F)N2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)nc(Cl)c1C ZINC001164971795 722091650 /nfs/dbraw/zinc/09/16/50/722091650.db2.gz DBLAYZHHQLQHAK-INIZCTEOSA-N 0 0 426.939 4.205 20 0 IIADRN Cn1cc(N2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(C5CCCCC5)c4)C[C@H]3C2=O)cn1 ZINC001164985612 722096508 /nfs/dbraw/zinc/09/65/08/722096508.db2.gz ZFJYKEYNVSWASO-DNVCBOLYSA-N 0 0 449.933 4.160 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@@H]21 ZINC001164985392 722096803 /nfs/dbraw/zinc/09/68/03/722096803.db2.gz YXZMGZNERZNLRR-QWQRMKEZSA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)C[C@@H]21 ZINC001164974468 722096948 /nfs/dbraw/zinc/09/69/48/722096948.db2.gz DJHUFXSQAYLSBT-RVKKMQEKSA-N 0 0 441.309 4.479 20 0 IIADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C2)C1=O ZINC001164983218 722161862 /nfs/dbraw/zinc/16/18/62/722161862.db2.gz ZKHGIYLPPSZQMG-FQEVSTJZSA-N 0 0 432.833 4.092 20 0 IIADRN CN1c2ccccc2[C@@]2(CCN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C2)C1=O ZINC001164981665 722162687 /nfs/dbraw/zinc/16/26/87/722162687.db2.gz RWBIDPSKPYUCLP-GOTSBHOMSA-N 0 0 438.890 4.049 20 0 IIADRN CN1c2ccccc2[C@]2(CCN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C2)C1=O ZINC001164981685 722162768 /nfs/dbraw/zinc/16/27/68/722162768.db2.gz RWBIDPSKPYUCLP-XZOQPEGZSA-N 0 0 438.890 4.049 20 0 IIADRN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164973503 722165379 /nfs/dbraw/zinc/16/53/79/722165379.db2.gz BOPVVQNWAOYOSN-KBXCAEBGSA-N 0 0 433.952 4.298 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cc(C)nc(Cl)c4)CC[C@H]32)cs1 ZINC001164986853 722175183 /nfs/dbraw/zinc/17/51/83/722175183.db2.gz LVZNWSPQRCAYGJ-MSOLQXFVSA-N 0 0 442.963 4.223 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cnc(Cl)c(F)c4)CC[C@@H]32)cs1 ZINC001164985963 722180820 /nfs/dbraw/zinc/18/08/20/722180820.db2.gz CTOLBZBFDQCGDV-IRXDYDNUSA-N 0 0 446.926 4.054 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5c4CCCCC5)CC[C@H]32)cs1 ZINC001164989912 722181019 /nfs/dbraw/zinc/18/10/19/722181019.db2.gz MMJBLLLYRZXSKJ-WOJBJXKFSA-N 0 0 448.036 4.034 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cc(Cl)ncc4F)CC[C@H]32)cs1 ZINC001164985960 722181478 /nfs/dbraw/zinc/18/14/78/722181478.db2.gz CTLVBJUCYRBEPZ-SJORKVTESA-N 0 0 446.926 4.054 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(C5CCCCC5)nc(C)n4)CC[C@@H]32)cs1 ZINC001164987643 722184774 /nfs/dbraw/zinc/18/47/74/722184774.db2.gz LCZQREPXCZGAGM-XZOQPEGZSA-N 0 0 441.645 4.467 20 0 IIADRN Cc1c[nH]c2nc(Cl)cc(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)c12 ZINC001164992337 722184857 /nfs/dbraw/zinc/18/48/57/722184857.db2.gz VVWYETRITAFRHH-WMZOPIPTSA-N 0 0 431.993 4.159 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C5CCC5)nc(Cl)c4C)CC[C@H]32)cs1 ZINC001164993406 722186448 /nfs/dbraw/zinc/18/64/48/722186448.db2.gz ZJWFHSQEQNIUNU-RTBURBONSA-N 0 0 448.036 4.341 20 0 IIADRN CN(C)c1cc(C(F)(F)N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc(Cl)n1 ZINC001164998875 722212465 /nfs/dbraw/zinc/21/24/65/722212465.db2.gz YKNPHSWQVZDFMD-HXUWFJFHSA-N 0 0 439.913 4.125 20 0 IIADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)[C@@H]2C1 ZINC001164997789 722217365 /nfs/dbraw/zinc/21/73/65/722217365.db2.gz RSKSSZWKJCOPFN-FDQGKXFDSA-N 0 0 439.890 4.048 20 0 IIADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CC2 ZINC001164998343 722221849 /nfs/dbraw/zinc/22/18/49/722221849.db2.gz IPXVVGVPHKNKFA-HXUWFJFHSA-N 0 0 447.913 4.098 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cnc(Cl)c(Cl)c2)n1 ZINC001165001003 722226021 /nfs/dbraw/zinc/22/60/21/722226021.db2.gz XHZUVHCGGSGKIP-AWEZNQCLSA-N 0 0 432.302 4.147 20 0 IIADRN CC(C)CN1c2ccccc2[C@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)CC[C@H]21 ZINC001165004021 722245218 /nfs/dbraw/zinc/24/52/18/722245218.db2.gz MMEMXFBDZUKBNE-SJLPKXTDSA-N 0 0 434.918 4.217 20 0 IIADRN O=C([O-])[C@]1(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCC[N@H+](Cc2ccccc2)C1 ZINC001123268580 939818115 /nfs/dbraw/zinc/81/81/15/939818115.db2.gz SQODKJGRLNEPCU-QFIPXVFZSA-N 0 0 446.334 4.324 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000426644308 1126081105 /nfs/dbraw/zinc/08/11/05/1126081105.db2.gz CBZBXZSJFKSLPB-MRXNPFEDSA-N 0 0 439.256 4.317 20 0 IIADRN COc1cc(C[NH2+][C@@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000426663200 1126081400 /nfs/dbraw/zinc/08/14/00/1126081400.db2.gz JIIINFPUURNAKE-NRFANRHFSA-N 0 0 441.911 4.419 20 0 IIADRN Cc1cc(C)n(C[C@H]([NH2+]Cc2ccc(-c3cccc(Br)c3)s2)C(=O)[O-])n1 ZINC000426725750 1126083036 /nfs/dbraw/zinc/08/30/36/1126083036.db2.gz DQICCXYFOJSCNL-KRWDZBQOSA-N 0 0 434.359 4.234 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000426729061 1126083907 /nfs/dbraw/zinc/08/39/07/1126083907.db2.gz ZPIBYVKJXPETSM-GOSISDBHSA-N 0 0 429.419 4.172 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000426733041 1126084522 /nfs/dbraw/zinc/08/45/22/1126084522.db2.gz LGKFXLXQSWOIBU-INIZCTEOSA-N 0 0 429.822 4.306 20 0 IIADRN Cc1cc(C)n(C[C@@H]([NH2+]Cc2ccc(-c3ccc(Br)cc3)s2)C(=O)[O-])n1 ZINC000426736732 1126084869 /nfs/dbraw/zinc/08/48/69/1126084869.db2.gz YURMFWDMZVCOIP-QGZVFWFLSA-N 0 0 434.359 4.234 20 0 IIADRN COc1ccc(C[NH2+][C@@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])c(OC)c1 ZINC000426737479 1126085216 /nfs/dbraw/zinc/08/52/16/1126085216.db2.gz OJOCCGDSXHUAPC-SFHVURJKSA-N 0 0 432.929 4.266 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000426758778 1126088364 /nfs/dbraw/zinc/08/83/64/1126088364.db2.gz UICRFVLKWWDBQS-GOSISDBHSA-N 0 0 447.354 4.270 20 0 IIADRN COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](Cc3cc(C)cc(C)c3)C(=O)[O-])c2)cc1 ZINC000426770428 1126089415 /nfs/dbraw/zinc/08/94/15/1126089415.db2.gz RVWDKTNOOSLUST-DEOSSOPVSA-N 0 0 432.520 4.350 20 0 IIADRN COc1cc(C[NH2+][C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])ccc1SC ZINC000426800645 1126091317 /nfs/dbraw/zinc/09/13/17/1126091317.db2.gz OOARVRVRLXCPMW-KRWDZBQOSA-N 0 0 449.370 4.446 20 0 IIADRN COc1cccc(C[C@@H]([NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C(=O)[O-])c1 ZINC000426805294 1126091530 /nfs/dbraw/zinc/09/15/30/1126091530.db2.gz ABGLBKODATVGBH-LJQANCHMSA-N 0 0 432.929 4.170 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000426817030 1126092313 /nfs/dbraw/zinc/09/23/13/1126092313.db2.gz AHNKDRZUSYXLHF-OAHLLOKOSA-N 0 0 434.664 4.489 20 0 IIADRN Cc1ccc(OCc2nc(C[NH2+][C@@H](Cc3c[nH]c4cc(F)ccc34)C(=O)[O-])cs2)cc1 ZINC000426831757 1126093016 /nfs/dbraw/zinc/09/30/16/1126093016.db2.gz DVHNHNOBOFKASG-NRFANRHFSA-N 0 0 439.512 4.436 20 0 IIADRN O[C@H]([C@@H](Cc1ccccc1)NCc1noc(-c2c(F)cccc2Cl)n1)C(F)(F)F ZINC001308034968 1126162293 /nfs/dbraw/zinc/16/22/93/1126162293.db2.gz NZTOHKNVFOZUQY-RHSMWYFYSA-N 0 0 429.801 4.153 20 0 IIADRN CN(C)c1nc(CN[C@](C)(CO)Cc2ccc(Cl)cc2)c(Cl)n1-c1ccccc1 ZINC001308907594 1126168781 /nfs/dbraw/zinc/16/87/81/1126168781.db2.gz PUAFLOQEECMDIQ-QFIPXVFZSA-N 0 0 433.383 4.328 20 0 IIADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccccc4s3)CC2)c(C)c1 ZINC000022918096 563025777 /nfs/dbraw/zinc/02/57/77/563025777.db2.gz XVLZJHFRYAECAY-UHFFFAOYSA-N 0 0 443.594 4.261 20 0 IIADRN CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)ccn1 ZINC000072174785 563165331 /nfs/dbraw/zinc/16/53/31/563165331.db2.gz MHIFGRGNUYQUPG-UHFFFAOYSA-N 0 0 439.537 4.332 20 0 IIADRN O=C(Nc1ccccc1)N1CCC[C@H]1C(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000095595454 563191278 /nfs/dbraw/zinc/19/12/78/563191278.db2.gz RTTNXYFKRJSOPI-FQEVSTJZSA-N 0 0 436.487 4.369 20 0 IIADRN O=C1COC2(C1)CCN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)CC2 ZINC001164389146 718827488 /nfs/dbraw/zinc/82/74/88/718827488.db2.gz GWGNITQVRDQNHW-UHFFFAOYSA-N 0 0 436.673 4.463 20 0 IIADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3c4ccccc4NC(=O)[C@@H]3C2)n1 ZINC001164402694 718858305 /nfs/dbraw/zinc/85/83/05/718858305.db2.gz LHRQFWGEKMZZMR-ZWKOTPCHSA-N 0 0 435.597 4.322 20 0 IIADRN Cc1sc2nc(CN3CCCC3)nc(N3C[C@@H]4c5ccccc5NC(=O)[C@@H]4C3)c2c1C ZINC001164407578 718858513 /nfs/dbraw/zinc/85/85/13/718858513.db2.gz YZEZLNZTOWJIDU-QZTJIDSGSA-N 0 0 433.581 4.076 20 0 IIADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164408986 718867449 /nfs/dbraw/zinc/86/74/49/718867449.db2.gz OISBIHKSOIOSBQ-UHFFFAOYSA-N 0 0 436.846 4.323 20 0 IIADRN F[C@@H](c1ccnc(Cl)c1)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164416221 718890085 /nfs/dbraw/zinc/89/00/85/718890085.db2.gz CCJXMPJWFRYUTD-SUMWQHHRSA-N 0 0 425.689 4.187 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C[C@@H]3O2)n1 ZINC001164632761 719263039 /nfs/dbraw/zinc/26/30/39/719263039.db2.gz BBCLDHYEOLJYCQ-KCXAZCMYSA-N 0 0 448.905 4.426 20 0 IIADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164650641 719291905 /nfs/dbraw/zinc/29/19/05/719291905.db2.gz ZLFJNKIAMIXRKZ-BQFCYCMXSA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164649363 719291922 /nfs/dbraw/zinc/29/19/22/719291922.db2.gz WKIXSKUEDMZYCC-VKJFTORMSA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164650651 719291972 /nfs/dbraw/zinc/29/19/72/719291972.db2.gz ZNVWAYBXYBAGAR-ULQDDVLXSA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164650649 719292157 /nfs/dbraw/zinc/29/21/57/719292157.db2.gz ZNVWAYBXYBAGAR-BBWFWOEESA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645475 719294214 /nfs/dbraw/zinc/29/42/14/719294214.db2.gz JEMUWGNSLAWNBH-OTWHNJEPSA-N 0 0 446.885 4.176 20 0 IIADRN Clc1ccc(OC(Cl)(Cl)N2CCO[C@H]3[C@H]2CC[C@@H]3OCc2ccncc2)cn1 ZINC001164654351 719295813 /nfs/dbraw/zinc/29/58/13/719295813.db2.gz RHYNKMJEMRUVRN-RYRKJORJSA-N 0 0 444.746 4.046 20 0 IIADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc(-c5cc(Cl)ncn5)cc4)C[C@@H]3O2)n1 ZINC001164656735 719298393 /nfs/dbraw/zinc/29/83/93/719298393.db2.gz YLCASIDQMUNSHC-JLSDUUJJSA-N 0 0 447.873 4.390 20 0 IIADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc(-c5ccc(Cl)nn5)cc4)C[C@@H]3O2)n1 ZINC001164656075 719300870 /nfs/dbraw/zinc/30/08/70/719300870.db2.gz VULBYVZYGROYPN-JLSDUUJJSA-N 0 0 447.873 4.390 20 0 IIADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)C[C@H]2CCCO[C@H]21 ZINC001164655566 719325399 /nfs/dbraw/zinc/32/53/99/719325399.db2.gz QSWGPEHJDSYGBX-QFIXIFRTSA-N 0 0 449.929 4.333 20 0 IIADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)C[C@@H]2CCCO[C@H]12 ZINC001164654246 719326455 /nfs/dbraw/zinc/32/64/55/719326455.db2.gz JJMDKTKAAMDABQ-SCWSEQNSSA-N 0 0 449.929 4.333 20 0 IIADRN CSc1nc(Cl)cc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCC2CCCC2)n1 ZINC001164663217 719342424 /nfs/dbraw/zinc/34/24/24/719342424.db2.gz WVRVDMDCGCOXKM-KEYYUXOJSA-N 0 0 433.952 4.340 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(C(C)(C)C)n1)CC2 ZINC001164663018 719348743 /nfs/dbraw/zinc/34/87/43/719348743.db2.gz CCBGVCZEOWBHPR-UHFFFAOYSA-N 0 0 430.600 4.469 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(OC(C)(C)C)n1)CC2 ZINC001164658969 719350319 /nfs/dbraw/zinc/35/03/19/719350319.db2.gz NQGYQSJOYWGZDD-UHFFFAOYSA-N 0 0 446.599 4.349 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cccc(F)c31)CC2 ZINC001164660610 719351000 /nfs/dbraw/zinc/35/10/00/719351000.db2.gz WALFDAMZVSLXSG-UHFFFAOYSA-N 0 0 442.542 4.464 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(C)c1NC(C)=O)CC2 ZINC001164660516 719353500 /nfs/dbraw/zinc/35/35/00/719353500.db2.gz UQUMLPVXZCJPTH-UHFFFAOYSA-N 0 0 444.583 4.043 20 0 IIADRN CN1CCO[C@H]2CN(C(F)(F)c3ccccc3-c3nc(Cl)c4ccccc4n3)C[C@H]21 ZINC001164669820 719487381 /nfs/dbraw/zinc/48/73/81/719487381.db2.gz VUVGLHIJCMULMT-MOPGFXCFSA-N 0 0 430.886 4.014 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2ccc(F)c(Cl)n2)CC3)cc1 ZINC001164673872 719496744 /nfs/dbraw/zinc/49/67/44/719496744.db2.gz SRCUQGKSWVKCLY-UHFFFAOYSA-N 0 0 443.872 4.430 20 0 IIADRN CCc1cc2c(ncnc2N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)s1 ZINC001164673109 719506964 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O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(Cl)c(Cl)nc2Cl)N1Cc1cccnc1 ZINC001164693180 719772184 /nfs/dbraw/zinc/77/21/84/719772184.db2.gz YHAIFEVCUBPUCP-UONOGXRCSA-N 0 0 447.700 4.362 20 0 IIADRN CSc1ccc(C(F)(F)N2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)nc1Cl ZINC001164698136 719825970 /nfs/dbraw/zinc/82/59/70/719825970.db2.gz RRQMDPRSYABXEQ-ZDUSSCGKSA-N 0 0 428.936 4.278 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3OC)nnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164713659 720066196 /nfs/dbraw/zinc/06/61/96/720066196.db2.gz OLEAJPGOPZLMEF-UHOSZYNNSA-N 0 0 439.890 4.123 20 0 IIADRN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)cn1 ZINC001164712177 720069462 /nfs/dbraw/zinc/06/94/62/720069462.db2.gz JZMZZLUYZRYBKL-RBUKOAKNSA-N 0 0 443.885 4.065 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccnc(Cl)c2Cl)cs1 ZINC001164816797 720250791 /nfs/dbraw/zinc/25/07/91/720250791.db2.gz MTVMIVITZQFJKJ-ZIAGYGMSSA-N 0 0 447.338 4.468 20 0 IIADRN CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cccc2c(Cl)nccc21 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721461338 /nfs/dbraw/zinc/46/13/38/721461338.db2.gz QTGOXUILNPOKMU-LJQANCHMSA-N 0 0 440.947 4.372 20 0 IIADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4ccc(C)c(Cl)n4)C3)C2=O)cs1 ZINC001164884324 721461630 /nfs/dbraw/zinc/46/16/30/721461630.db2.gz ARDZNAOOVHPRPM-IBGZPJMESA-N 0 0 440.947 4.372 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)CC[C@H]21 ZINC001164894183 721466892 /nfs/dbraw/zinc/46/68/92/721466892.db2.gz WEFLUENHTVQSJT-CZUORRHYSA-N 0 0 440.947 4.487 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC[C@@H]21 ZINC001164891817 721466895 /nfs/dbraw/zinc/46/68/95/721466895.db2.gz OMZIIYFZJUODKO-APWZRJJASA-N 0 0 434.918 4.425 20 0 IIADRN Fc1cccnc1OC[C@]12COC[C@@H]1CN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164793211 721487163 /nfs/dbraw/zinc/48/71/63/721487163.db2.gz PRIVJSNHKVQLOB-BTYIYWSLSA-N 0 0 449.860 4.499 20 0 IIADRN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1C[C@@H]2CCC[C@H](OCC3CC3)[C@@H]2C1 ZINC001164899174 721500143 /nfs/dbraw/zinc/50/01/43/721500143.db2.gz WVOZNSJXERVBMR-MJBXVCDLSA-N 0 0 428.936 4.402 20 0 IIADRN c1ccc(CN2CCc3ncnc(N4C[C@@H]5CCC[C@@]5(COc5ccccn5)C4)c3C2)cc1 ZINC001164796627 721505143 /nfs/dbraw/zinc/50/51/43/721505143.db2.gz URLGWTILGMWHJJ-CUNXSJBXSA-N 0 0 441.579 4.115 20 0 IIADRN COC(=O)c1ccc(C(F)(F)N2C[C@H]3CCC[C@]3(COc3ccccn3)C2)nc1Cl ZINC001164795602 721505801 /nfs/dbraw/zinc/50/58/01/721505801.db2.gz MNMHBHVGUINJLW-JLTOFOAXSA-N 0 0 437.874 4.147 20 0 IIADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)c1 ZINC001164795560 721505905 /nfs/dbraw/zinc/50/59/05/721505905.db2.gz LHBPAODCUCRKAD-QRWLVFNGSA-N 0 0 437.874 4.147 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2Cl)[C@H]2CCCO[C@@H]12 ZINC001164806118 721533235 /nfs/dbraw/zinc/53/32/35/721533235.db2.gz OBWDGYGZVCDXDP-LZLYRXPVSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2c(Cl)cc(Cl)nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164801358 721540603 /nfs/dbraw/zinc/54/06/03/721540603.db2.gz FANOSKLAOBVQSL-IIDMSEBBSA-N 0 0 427.763 4.305 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3c(Cl)ccnc32)[C@H]2CCCO[C@@H]12 ZINC001164805062 721551721 /nfs/dbraw/zinc/55/17/21/721551721.db2.gz KQAYNAPWHKAVJV-WAOWUJCRSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2c[nH]c3nc(Cl)ccc23)[C@H]2CCCO[C@H]12 ZINC001164804670 721554736 /nfs/dbraw/zinc/55/47/36/721554736.db2.gz LTDOLDWBQDZBQL-NSHGMRRFSA-N 0 0 447.917 4.024 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2c(Cl)ncc(Cl)c2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164805427 721557729 /nfs/dbraw/zinc/55/77/29/721557729.db2.gz NUSCRHWFIQIOBG-IIDMSEBBSA-N 0 0 427.763 4.305 20 0 IIADRN CN(C)C(=O)[C@H]1CC12CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164904795 721569486 /nfs/dbraw/zinc/56/94/86/721569486.db2.gz FYTISZZGIHDRPT-CYBMUJFWSA-N 0 0 429.298 4.176 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164799328 721603655 /nfs/dbraw/zinc/60/36/55/721603655.db2.gz JQJGUQJNIRSFID-MRXNPFEDSA-N 0 0 439.890 4.257 20 0 IIADRN FC(F)(c1cccc2ccnc(Cl)c21)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164806539 721607816 /nfs/dbraw/zinc/60/78/16/721607816.db2.gz TWOCKMVPZCNBEO-UTKZUKDTSA-N 0 0 448.901 4.084 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)Oc1cccnc1Cl)C2 ZINC001164907890 721749923 /nfs/dbraw/zinc/74/99/23/721749923.db2.gz CSGNFABNCMMRSJ-UHFFFAOYSA-N 0 0 434.874 4.342 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)Oc1ccc(Cl)nc1)C2 ZINC001164907975 721750974 /nfs/dbraw/zinc/75/09/74/721750974.db2.gz FNGYZJNATGHHOF-UHFFFAOYSA-N 0 0 434.874 4.342 20 0 IIADRN COC(=O)c1ccc2nc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)ccc2c1 ZINC001164909424 721752649 /nfs/dbraw/zinc/75/26/49/721752649.db2.gz SHNMHBTXPIGMFF-UHFFFAOYSA-N 0 0 442.519 4.204 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3sc4c(c31)CCC4)C2 ZINC001164912286 721760755 /nfs/dbraw/zinc/76/07/55/721760755.db2.gz XKIWOJNHLMQXQA-UHFFFAOYSA-N 0 0 431.565 4.363 20 0 IIADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)[C@@H]2C1 ZINC001165018690 721771087 /nfs/dbraw/zinc/77/10/87/721771087.db2.gz UUJGETOSTOVYET-WMLDXEAASA-N 0 0 432.858 4.162 20 0 IIADRN F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCc2ncnc(C3CC3)c2CC1 ZINC001164914748 721804267 /nfs/dbraw/zinc/80/42/67/721804267.db2.gz FOSQPXBSIUELST-JOCHJYFZSA-N 0 0 425.895 4.197 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164915950 721805313 /nfs/dbraw/zinc/80/53/13/721805313.db2.gz MRSKXAOEPGXAHN-OXQOHEQNSA-N 0 0 432.858 4.040 20 0 IIADRN CSc1ccc(C(F)(F)N2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)nc1Cl ZINC001164915822 721806353 /nfs/dbraw/zinc/80/63/53/721806353.db2.gz LHJQXSCIQXQVDB-KBXCAEBGSA-N 0 0 427.904 4.214 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164914254 721807572 /nfs/dbraw/zinc/80/75/72/721807572.db2.gz BMKIUFGHMCCJOP-CXAGYDPISA-N 0 0 432.254 4.025 20 0 IIADRN Cc1cc(C(F)(F)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)cc(Cl)n1 ZINC001164916789 721808642 /nfs/dbraw/zinc/80/86/42/721808642.db2.gz JLUKYJAIHAJPMV-DDUZABMNSA-N 0 0 429.920 4.245 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164918235 721809777 /nfs/dbraw/zinc/80/97/77/721809777.db2.gz PTDJVVCFFKFEST-NORZTCDRSA-N 0 0 433.883 4.076 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)c1 ZINC001164915789 721810430 /nfs/dbraw/zinc/81/04/30/721810430.db2.gz BWMAWHBNUCNYQJ-HBUWYVDXSA-N 0 0 429.920 4.245 20 0 IIADRN Cc1cc(C(F)(F)N2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)nc(Cl)n1 ZINC001164926505 721898598 /nfs/dbraw/zinc/89/85/98/721898598.db2.gz BTRNNWUSRPBVON-NRFANRHFSA-N 0 0 443.885 4.119 20 0 IIADRN O=C(C1=CC2(CCN([C@H](F)Oc3ccc(Cl)nc3)CC2)c2ccccc21)N1CCCC1 ZINC001164927504 721899417 /nfs/dbraw/zinc/89/94/17/721899417.db2.gz INURIZGTRLIHPD-QHCPKHFHSA-N 0 0 441.934 4.420 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1ccnc(Cl)c1Cl)C2 ZINC001164935420 721910249 /nfs/dbraw/zinc/91/02/49/721910249.db2.gz IIMKXCUCANPPMD-RISCZKNCSA-N 0 0 430.257 4.423 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1cc(Cl)nc(Cl)c1)C2 ZINC001164934983 721910324 /nfs/dbraw/zinc/91/03/24/721910324.db2.gz BGPBFNWCELBJKB-ABAIWWIYSA-N 0 0 430.257 4.423 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1cnc(Cl)c(Cl)c1)C2 ZINC001164935764 721910498 /nfs/dbraw/zinc/91/04/98/721910498.db2.gz OODUWEHTUKKSPI-ABAIWWIYSA-N 0 0 430.257 4.423 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)C[C@H]21 ZINC001164941743 721951281 /nfs/dbraw/zinc/95/12/81/721951281.db2.gz BTKKYEJFGSRQOW-UXHICEINSA-N 0 0 448.901 4.128 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3c(C)c(Cl)nc4cc(F)cc(F)c43)C[C@@H]21 ZINC001164949936 721962506 /nfs/dbraw/zinc/96/25/06/721962506.db2.gz ZLQLMAQCNFBFMS-OALUTQOASA-N 0 0 448.901 4.169 20 0 IIADRN O=C1NCCN(Cc2ccccc2)C12CCN(c1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001164944975 721971233 /nfs/dbraw/zinc/97/12/33/721971233.db2.gz LOTPJDYTIPNPKK-UHFFFAOYSA-N 0 0 439.774 4.013 20 0 IIADRN Cc1csc2c1nc(Cl)cc2N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001164945066 721977048 /nfs/dbraw/zinc/97/70/48/721977048.db2.gz BOTYEXRUNKLAEL-UHFFFAOYSA-N 0 0 441.000 4.229 20 0 IIADRN Cc1ccc(Cl)c(O[C@H]2CCCN(C(F)(F)c3cnc(Cl)cc3C(N)=O)C2)c1 ZINC001165049606 721979877 /nfs/dbraw/zinc/97/98/77/721979877.db2.gz LAZLJXRODCTPPD-LBPRGKRZSA-N 0 0 430.282 4.388 20 0 IIADRN Cc1cc(CN(C)[C@@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)n(C)n1 ZINC001165050900 721990000 /nfs/dbraw/zinc/99/00/00/721990000.db2.gz KKJBUTSRDIZSOY-NRFANRHFSA-N 0 0 449.361 4.095 20 0 IIADRN CC1(C)C(=O)NCCN1C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl ZINC001165051635 721995280 /nfs/dbraw/zinc/99/52/80/721995280.db2.gz ILVZOSBPSDJCJG-UHFFFAOYSA-N 0 0 434.796 4.076 20 0 IIADRN FC(F)(N1CCCn2cnc(COc3cccnc3)c2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164949752 721998465 /nfs/dbraw/zinc/99/84/65/721998465.db2.gz GUVGRMNDJMWFLB-UHFFFAOYSA-N 0 0 445.901 4.436 20 0 IIADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)COc3ccnc(Cl)c3)C[C@H]21 ZINC001164954039 722003901 /nfs/dbraw/zinc/00/39/01/722003901.db2.gz VDLYTVACHJYEOD-RDJZCZTQSA-N 0 0 430.886 4.379 20 0 IIADRN Cc1nc(C(F)(F)N2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)nc(Cl)c1C ZINC001164953119 722004569 /nfs/dbraw/zinc/00/45/69/722004569.db2.gz OXWRMAPICNJDQM-CVEARBPZSA-N 0 0 429.902 4.468 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1ccnc(Cl)c1Cl ZINC001164965016 722028216 /nfs/dbraw/zinc/02/82/16/722028216.db2.gz ZATDWUDDPIODQD-GUTXKFCHSA-N 0 0 434.245 4.283 20 0 IIADRN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001164956305 722033487 /nfs/dbraw/zinc/03/34/87/722033487.db2.gz DMEGRSODJVCXFX-SIKLNZKXSA-N 0 0 442.897 4.361 20 0 IIADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C[C@H]3O2)n1 ZINC001164964918 722041701 /nfs/dbraw/zinc/04/17/01/722041701.db2.gz WEFQUDUCHLJZJU-HOTUBEGUSA-N 0 0 439.677 4.115 20 0 IIADRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4cnc(Cl)nc4Cl)C3)CC2=O)s1 ZINC001164957229 722043615 /nfs/dbraw/zinc/04/36/15/722043615.db2.gz AHDFCSLJBRKHPS-INIZCTEOSA-N 0 0 433.311 4.332 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C[C@@H]21 ZINC001164956607 722047525 /nfs/dbraw/zinc/04/75/25/722047525.db2.gz BTFYADCJAKPOCM-HOTGVXAUSA-N 0 0 444.869 4.286 20 0 IIADRN FC(F)(c1cc(Cl)ncn1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164957003 722049622 /nfs/dbraw/zinc/04/96/22/722049622.db2.gz GPFJJBJUMCFEKI-UHFFFAOYSA-N 0 0 441.873 4.164 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN([C@H](F)Oc2ccnc(Cl)c2)[C@@H]3C)c1 ZINC001164965907 722062864 /nfs/dbraw/zinc/06/28/64/722062864.db2.gz MFHXHSQJMPAFGQ-VFNWGFHPSA-N 0 0 431.899 4.060 20 0 IIADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164967667 722078381 /nfs/dbraw/zinc/07/83/81/722078381.db2.gz IIBONVPRDANBGM-UHFFFAOYSA-N 0 0 426.294 4.392 20 0 IIADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C[C@@H]2C1 ZINC001164978323 722084930 /nfs/dbraw/zinc/08/49/30/722084930.db2.gz YRUGIZQNZLCKTN-STQMWFEESA-N 0 0 438.881 4.098 20 0 IIADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C[C@H]2C1 ZINC001164972553 722085764 /nfs/dbraw/zinc/08/57/64/722085764.db2.gz LQLOEZFSBUWWIW-BMCPXHGSSA-N 0 0 444.938 4.056 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@@H]21 ZINC001164984694 722098339 /nfs/dbraw/zinc/09/83/39/722098339.db2.gz TZFKVMTUINHTSO-CMKODMSKSA-N 0 0 446.929 4.401 20 0 IIADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C2)C1=O ZINC001164983260 722162690 /nfs/dbraw/zinc/16/26/90/722162690.db2.gz ZXETVPSZUYPNBJ-QFIPXVFZSA-N 0 0 440.881 4.466 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cnc(Cl)cc4C)CC[C@H]32)cs1 ZINC001164990582 722182079 /nfs/dbraw/zinc/18/20/79/722182079.db2.gz OFFNSTJDAPJVSJ-MSOLQXFVSA-N 0 0 442.963 4.223 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)cc(C(C)(C)C)n4)CC[C@H]32)cs1 ZINC001164992366 722184589 /nfs/dbraw/zinc/18/45/89/722184589.db2.gz VZUDCCGAGNGXFI-SJORKVTESA-N 0 0 436.025 4.062 20 0 IIADRN CCc1ccc(-c2ccc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)nn2)cc1 ZINC001164991797 722185735 /nfs/dbraw/zinc/18/57/35/722185735.db2.gz UVPLCATWMXXXFY-BJKOFHAPSA-N 0 0 449.624 4.341 20 0 IIADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccc(SC)c(Cl)n1)CC2 ZINC001164991401 722187583 /nfs/dbraw/zinc/18/75/83/722187583.db2.gz OXYOHWOAVXYTPW-CQSZACIVSA-N 0 0 447.979 4.103 20 0 IIADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccc(SC)c(Cl)n1)CC2 ZINC001164991396 722187602 /nfs/dbraw/zinc/18/76/02/722187602.db2.gz OXYOHWOAVXYTPW-AWEZNQCLSA-N 0 0 447.979 4.103 20 0 IIADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)CC2 ZINC001164998341 722222019 /nfs/dbraw/zinc/22/20/19/722222019.db2.gz IPXVVGVPHKNKFA-FQEVSTJZSA-N 0 0 447.913 4.098 20 0 IIADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cc(Cl)ncc2Cl)n1 ZINC001165001315 722226087 /nfs/dbraw/zinc/22/60/87/722226087.db2.gz ZAWNJUAQZGNSGZ-CQSZACIVSA-N 0 0 432.302 4.147 20 0 IIADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2ccc3cnc(Cl)nc3c2)n1 ZINC001165000593 722226770 /nfs/dbraw/zinc/22/67/70/722226770.db2.gz UNWNGYXRHJSRPV-QGZVFWFLSA-N 0 0 448.905 4.042 20 0 IIADRN CC(C)CN1c2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)CC[C@H]21 ZINC001165003274 722245811 /nfs/dbraw/zinc/24/58/11/722245811.db2.gz IXFKACCWQSOSHL-QFBILLFUSA-N 0 0 434.918 4.217 20 0 IIADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001165000404 722247487 /nfs/dbraw/zinc/24/74/87/722247487.db2.gz HUVHIZMUVGOSBQ-UHFFFAOYSA-N 0 0 440.237 4.131 20 0 IIADRN FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001165006836 722272037 /nfs/dbraw/zinc/27/20/37/722272037.db2.gz RGKNMDCSOHSMCJ-JKSUJKDBSA-N 0 0 433.890 4.119 20 0 IIADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)c2ccc(Cl)nc2)CC3)cs1 ZINC001165004591 722272191 /nfs/dbraw/zinc/27/21/91/722272191.db2.gz BZCCRWOPDYVVQJ-INIZCTEOSA-N 0 0 429.920 4.390 20 0 IIADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)c2ccc(Cl)nc2)CC3)cs1 ZINC001165004593 722272348 /nfs/dbraw/zinc/27/23/48/722272348.db2.gz BZCCRWOPDYVVQJ-MRXNPFEDSA-N 0 0 429.920 4.390 20 0 IIADRN C[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC001123268184 939817993 /nfs/dbraw/zinc/81/79/93/939817993.db2.gz PVOBXBSPRVEXRN-SBUREZEXSA-N 0 0 448.485 4.435 20 0 IIADRN O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000426739911 1126085405 /nfs/dbraw/zinc/08/54/05/1126085405.db2.gz FMLMJMMRMNAMRX-MRXNPFEDSA-N 0 0 445.140 4.476 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000426724366 1126082818 /nfs/dbraw/zinc/08/28/18/1126082818.db2.gz RTMRMCTYKKXIQF-QGZVFWFLSA-N 0 0 435.318 4.497 20 0 IIADRN O=C([O-])[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000426724365 1126082951 /nfs/dbraw/zinc/08/29/51/1126082951.db2.gz RTMRMCTYKKXIQF-KRWDZBQOSA-N 0 0 435.318 4.497 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000426725177 1126083137 /nfs/dbraw/zinc/08/31/37/1126083137.db2.gz ATESGFLVRNBXIO-INIZCTEOSA-N 0 0 440.721 4.049 20 0 IIADRN O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426730289 1126084126 /nfs/dbraw/zinc/08/41/26/1126084126.db2.gz KSKHFUAYVTZSFJ-MRXNPFEDSA-N 0 0 443.693 4.152 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1ncc(Br)cc1Br ZINC000426732099 1126084302 /nfs/dbraw/zinc/08/43/02/1126084302.db2.gz RMAKJSPTGUDASG-ZDUSSCGKSA-N 0 0 448.542 4.046 20 0 IIADRN CCOc1c(OC)cc(C[NH2+][C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1OC ZINC000426736393 1126084871 /nfs/dbraw/zinc/08/48/71/1126084871.db2.gz XQDMRJPEYFOMEA-MRXNPFEDSA-N 0 0 428.312 4.195 20 0 IIADRN CCOc1c(Br)cc(C[NH2+][C@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1OC ZINC000426738185 1126085221 /nfs/dbraw/zinc/08/52/21/1126085221.db2.gz UCMUGSGAJKTIBP-MRXNPFEDSA-N 0 0 442.737 4.295 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000426758779 1126088414 /nfs/dbraw/zinc/08/84/14/1126088414.db2.gz UICRFVLKWWDBQS-SFHVURJKSA-N 0 0 447.354 4.270 20 0 IIADRN COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000426763967 1126089052 /nfs/dbraw/zinc/08/90/52/1126089052.db2.gz UXJVNIYDQMRCNE-FQEVSTJZSA-N 0 0 441.325 4.305 20 0 IIADRN COc1cccc(C[C@H]([NH2+]Cc2csc(-c3cccc(Br)c3)n2)C(=O)[O-])c1 ZINC000426767678 1126089213 /nfs/dbraw/zinc/08/92/13/1126089213.db2.gz PHEAJKBFPANPSH-SFHVURJKSA-N 0 0 447.354 4.367 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000426773172 1126089699 /nfs/dbraw/zinc/08/96/99/1126089699.db2.gz NRXGIAVPOBUJRM-HXUWFJFHSA-N 0 0 427.403 4.271 20 0 IIADRN COc1ccc(C[NH2+][C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])cc1OCc1cccnc1 ZINC000426741252 1126085648 /nfs/dbraw/zinc/08/56/48/1126085648.db2.gz DXCJTNQTOKJKRB-FQEVSTJZSA-N 0 0 444.890 4.247 20 0 IIADRN COc1cc(C[NH2+][C@@H](Cc2ccc(F)cc2)C(=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000426745726 1126086234 /nfs/dbraw/zinc/08/62/34/1126086234.db2.gz HVQSNRIQAQDVBM-NRFANRHFSA-N 0 0 427.447 4.338 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000426747343 1126086465 /nfs/dbraw/zinc/08/64/65/1126086465.db2.gz OOMXXQDSYPEVLU-OAHLLOKOSA-N 0 0 431.099 4.136 20 0 IIADRN CCOc1cc(C[NH2+][C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])ccc1OC ZINC000426795906 1126091055 /nfs/dbraw/zinc/09/10/55/1126091055.db2.gz ZMYVJLZNEVIKMM-SFHVURJKSA-N 0 0 447.329 4.123 20 0 IIADRN CCn1nc(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])c2ccccc21 ZINC000426805145 1126091459 /nfs/dbraw/zinc/09/14/59/1126091459.db2.gz ZHDUWWZLKCLXPN-GOSISDBHSA-N 0 0 441.329 4.086 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000426805805 1126091538 /nfs/dbraw/zinc/09/15/38/1126091538.db2.gz FUBKIHCCSHTMDB-INIZCTEOSA-N 0 0 427.220 4.133 20 0 IIADRN CC(=O)N(c1nc(CN[C@@H](CO)Cc2c[nH]c3ccccc23)cs1)c1ccc(C)cc1 ZINC000537297672 1126096833 /nfs/dbraw/zinc/09/68/33/1126096833.db2.gz ONNDQKSBAXWUIP-LJQANCHMSA-N 0 0 434.565 4.311 20 0 IIADRN O[C@H]([C@H](Cc1ccccc1)NCc1csc(-c2ccc3c(c2)OCO3)n1)C(F)(F)F ZINC000604765786 1126099438 /nfs/dbraw/zinc/09/94/38/1126099438.db2.gz IIUWVCDLMIHNNO-QFBILLFUSA-N 0 0 436.455 4.163 20 0 IIADRN CC(=O)N(c1nc(CN[C@@H](CO)Cc2c[nH]c3ccccc23)cs1)c1ccc(F)cc1 ZINC000604766604 1126100408 /nfs/dbraw/zinc/10/04/08/1126100408.db2.gz KAGKJWAKXGCFFX-GOSISDBHSA-N 0 0 438.528 4.141 20 0 IIADRN O=c1nc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)[nH]c2scc(-c3ccco3)c21 ZINC001560099999 1126207458 /nfs/dbraw/zinc/20/74/58/1126207458.db2.gz CAVMBVVTPVDZAH-KBXCAEBGSA-N 0 0 449.454 4.281 20 0 IIADRN CC(=O)N(c1nc(CN[C@H](CO)Cc2ccccc2C)cs1)c1cccc(Cl)c1 ZINC001560761446 1126214131 /nfs/dbraw/zinc/21/41/31/1126214131.db2.gz IHSYFDXXSLVMTH-IBGZPJMESA-N 0 0 429.973 4.483 20 0 IIADRN CCCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1CC ZINC000003250239 562933357 /nfs/dbraw/zinc/93/33/57/562933357.db2.gz NXQDHCVPYDJUSD-UHFFFAOYSA-N 0 0 432.476 4.120 20 0 IIADRN C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@@]5(CCOC5)C4)c23)C1 ZINC001164392116 718807847 /nfs/dbraw/zinc/80/78/47/718807847.db2.gz YDPAWZMDKACICC-MZNJEOGPSA-N 0 0 426.630 4.419 20 0 IIADRN OCC[C@H]1CC12CCN(C(F)(F)Oc1cccc(COc3cncc(Cl)n3)c1)CC2 ZINC001164390603 718812002 /nfs/dbraw/zinc/81/20/02/718812002.db2.gz AMQNSHKEBPYFAY-INIZCTEOSA-N 0 0 439.890 4.123 20 0 IIADRN Cc1sc2nc(CN3CCCC3)nc(N3C[C@@H]4C(=O)Nc5ccccc5[C@H]4C3)c2c1C ZINC001164407555 718858380 /nfs/dbraw/zinc/85/83/80/718858380.db2.gz YZEZLNZTOWJIDU-MSOLQXFVSA-N 0 0 433.581 4.076 20 0 IIADRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(F)(F)c1cccc(Cl)n1)CC2 ZINC001164427147 718952249 /nfs/dbraw/zinc/95/22/49/718952249.db2.gz BNJABRRGXOHDHR-GOSISDBHSA-N 0 0 449.929 4.281 20 0 IIADRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164431646 718974465 /nfs/dbraw/zinc/97/44/65/718974465.db2.gz ADSVQEYOLWUZKD-KDOFPFPSSA-N 0 0 446.281 4.030 20 0 IIADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc(-c5cc(Cl)ncn5)cc4)C[C@H]3O2)n1 ZINC001164656733 719298513 /nfs/dbraw/zinc/29/85/13/719298513.db2.gz YLCASIDQMUNSHC-FHLIZLRMSA-N 0 0 447.873 4.390 20 0 IIADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cccc(-c5ccc(Cl)nn5)c4)C[C@@H]3O2)n1 ZINC001164646373 719300740 /nfs/dbraw/zinc/30/07/40/719300740.db2.gz ATJJNPTYQGJMQN-JLSDUUJJSA-N 0 0 447.873 4.390 20 0 IIADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(-c5ccccc5)nnc4Cl)C[C@@H]3O2)n1 ZINC001164652484 719300873 /nfs/dbraw/zinc/30/08/73/719300873.db2.gz NBMCIMXRWNTDES-JLSDUUJJSA-N 0 0 447.873 4.390 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)C[C@H]2CCCO[C@H]21 ZINC001164651875 719303024 /nfs/dbraw/zinc/30/30/24/719303024.db2.gz MOQNMTHUHKFIIR-XFQXTVEOSA-N 0 0 435.902 4.039 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1ccc3c(Cl)ncnc3c1)CC2 ZINC001164649561 719308580 /nfs/dbraw/zinc/30/85/80/719308580.db2.gz UPFMXAYESFQUFD-UHFFFAOYSA-N 0 0 434.922 4.230 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CC2 ZINC001164648816 719312201 /nfs/dbraw/zinc/31/22/01/719312201.db2.gz LWXXTKNFJIORRZ-UHFFFAOYSA-N 0 0 434.922 4.230 20 0 IIADRN COC(=O)c1ccc(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@@H]32)nc1Cl ZINC001164662764 719342668 /nfs/dbraw/zinc/34/26/68/719342668.db2.gz RPPGTQJMSDZUAC-JZXOWHBKSA-N 0 0 444.906 4.010 20 0 IIADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@H]21 ZINC001164663201 719342713 /nfs/dbraw/zinc/34/27/13/719342713.db2.gz WFZFSBAIKKRIMZ-LMMKCTJWSA-N 0 0 444.906 4.010 20 0 IIADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001164659978 719343776 /nfs/dbraw/zinc/34/37/76/719343776.db2.gz HAHXRFVFGKCMOM-IYOUNJFTSA-N 0 0 436.330 4.357 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)cc(SC)n1)CC2 ZINC001164663417 719350717 /nfs/dbraw/zinc/35/07/17/719350717.db2.gz GIZTXPDIJGQURM-UHFFFAOYSA-N 0 0 434.613 4.202 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(F)c3cc[nH]c31)CC2 ZINC001164658491 719352168 /nfs/dbraw/zinc/35/21/68/719352168.db2.gz HQCYGZXYQVTRHS-UHFFFAOYSA-N 0 0 430.531 4.397 20 0 IIADRN CCc1cc(Cl)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)n1 ZINC001164665768 719355027 /nfs/dbraw/zinc/35/50/27/719355027.db2.gz YUXUJMSJWWSXSS-UHFFFAOYSA-N 0 0 436.991 4.387 20 0 IIADRN CCOC[C@@H]1CN(C(F)(F)c2cc(Cl)nc(SC)n2)Cc2nn(CC3CC3)cc21 ZINC001164665078 719362676 /nfs/dbraw/zinc/36/26/76/719362676.db2.gz USWAYXWVPKGULY-ZDUSSCGKSA-N 0 0 443.951 4.144 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2ccnc(Cl)c2F)CC3)cc1 ZINC001164665715 719494238 /nfs/dbraw/zinc/49/42/38/719494238.db2.gz BAKIKTBMYWYNHJ-UHFFFAOYSA-N 0 0 443.872 4.430 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2ncnc4c(Cl)cccc42)CC3)cc1 ZINC001164674408 719498486 /nfs/dbraw/zinc/49/84/86/719498486.db2.gz WMEYODRQFJODRQ-UHFFFAOYSA-N 0 0 426.923 4.294 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2nccc(OCc4ccccc4)n2)CC3)cc1 ZINC001164674399 719507759 /nfs/dbraw/zinc/50/77/59/719507759.db2.gz WBAXUZKQYLOUBC-UHFFFAOYSA-N 0 0 448.542 4.066 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2ccc(-c4cccc(F)c4)nn2)CC3)cc1 ZINC001164678747 719525443 /nfs/dbraw/zinc/52/54/43/719525443.db2.gz NAHOXJCWNLBHRA-UHFFFAOYSA-N 0 0 436.506 4.293 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2c(F)ccc4c(Cl)ncnc42)CC3)cc1 ZINC001164678593 719532978 /nfs/dbraw/zinc/53/29/78/719532978.db2.gz MAOVSRYDHLQFLP-UHFFFAOYSA-N 0 0 444.913 4.433 20 0 IIADRN O=C([C@@H]1C[C@H]2OCC[C@@H]2N(C(F)(F)c2cccc3ccnc(Cl)c32)C1)N1CCCC1 ZINC001164679002 719539896 /nfs/dbraw/zinc/53/98/96/719539896.db2.gz QCWZROCTLSXCIB-BPQIPLTHSA-N 0 0 435.902 4.039 20 0 IIADRN O=C([C@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)CC12CCOCC2)N1CC=CC1 ZINC001164678257 719558583 /nfs/dbraw/zinc/55/85/83/719558583.db2.gz WLUXMTVJXAYMFQ-LJQANCHMSA-N 0 0 447.913 4.065 20 0 IIADRN O=C([C@H]1CN(C(F)(F)c2ccc3c(Cl)nccc3c2)CC12CCOCC2)N1CC=CC1 ZINC001164676899 719560871 /nfs/dbraw/zinc/56/08/71/719560871.db2.gz IBTGWCHKUUENLT-LJQANCHMSA-N 0 0 447.913 4.065 20 0 IIADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2nc(Cl)ccc2F)CC3)cs1 ZINC001164688636 719593974 /nfs/dbraw/zinc/59/39/74/719593974.db2.gz ZAUXVEACEWRTOY-UHFFFAOYSA-N 0 0 444.910 4.346 20 0 IIADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cccc3c(Cl)nccc32)N1Cc1cccnc1 ZINC001164690647 719770140 /nfs/dbraw/zinc/77/01/40/719770140.db2.gz GNXIUKFXRBHLFV-RBUKOAKNSA-N 0 0 428.870 4.208 20 0 IIADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cc3ccccc3nc2Cl)N1Cc1cccnc1 ZINC001164690725 719770688 /nfs/dbraw/zinc/77/06/88/719770688.db2.gz HMNOSRUZIGUTSP-RTBURBONSA-N 0 0 428.870 4.208 20 0 IIADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2ccc(Cl)nc2C(F)(F)F)N1Cc1cccnc1 ZINC001164692073 719775187 /nfs/dbraw/zinc/77/51/87/719775187.db2.gz RKDDHOOZPWGCBU-ZIAGYGMSSA-N 0 0 446.807 4.074 20 0 IIADRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CC2 ZINC001164697051 719786383 /nfs/dbraw/zinc/78/63/83/719786383.db2.gz XWEHHLWVAURNGB-UHFFFAOYSA-N 0 0 434.874 4.464 20 0 IIADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2cnc(Cl)c(N)c2)CC3)cs1 ZINC001164691588 719812800 /nfs/dbraw/zinc/81/28/00/719812800.db2.gz ICFIEOBRMRFFJG-UHFFFAOYSA-N 0 0 427.952 4.262 20 0 IIADRN COC[C@@H]1CN(C(F)(F)Oc2ccc(-c3ccnc(Cl)c3)cc2)Cc2cn(C)nc21 ZINC001164696420 719831959 /nfs/dbraw/zinc/83/19/59/719831959.db2.gz TUXQQFXRRBNQDX-KRWDZBQOSA-N 0 0 434.874 4.310 20 0 IIADRN Cc1noc([C@@]23COC[C@@H]2CN(C(F)(F)c2ccc(-c4ccnc(Cl)c4)cc2)C3)n1 ZINC001164805478 720056050 /nfs/dbraw/zinc/05/60/50/720056050.db2.gz OORFUAIBNXCUGT-PXNSSMCTSA-N 0 0 432.858 4.043 20 0 IIADRN Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)cn1 ZINC001164712173 720069670 /nfs/dbraw/zinc/06/96/70/720069670.db2.gz JZMZZLUYZRYBKL-MOPGFXCFSA-N 0 0 443.885 4.065 20 0 IIADRN Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)cn1 ZINC001164710966 720078216 /nfs/dbraw/zinc/07/82/16/720078216.db2.gz LDMQMIPOWXNQRG-HOTGVXAUSA-N 0 0 449.914 4.126 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)cnc2Cl)cs1 ZINC001164816577 720250760 /nfs/dbraw/zinc/25/07/60/720250760.db2.gz KLMWHOQHDAEPSV-LSDHHAIUSA-N 0 0 447.338 4.468 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)ccc2C)cs1 ZINC001164815633 720255957 /nfs/dbraw/zinc/25/59/57/720255957.db2.gz CXIOAAFXZWJMJP-GJZGRUSLSA-N 0 0 426.920 4.123 20 0 IIADRN CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cc2ccccc2nc1Cl ZINC001164721954 720315627 /nfs/dbraw/zinc/31/56/27/720315627.db2.gz JCVQEMDALLCKLZ-LJQANCHMSA-N 0 0 447.917 4.450 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(F)c3)[C@H]3CCCO[C@H]23)cs1 ZINC001164823557 720389259 /nfs/dbraw/zinc/38/92/59/720389259.db2.gz OFWAYTNGOWOBHV-XHSDSOJGSA-N 0 0 433.883 4.137 20 0 IIADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)O2)n1 ZINC001164830541 720404746 /nfs/dbraw/zinc/40/47/46/720404746.db2.gz SBJNLJKNBPAVKD-ILXRZTDVSA-N 0 0 439.825 4.158 20 0 IIADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3ccc([Si](C)(C)C)c(Cl)n3)O2)n1 ZINC001164829192 720407062 /nfs/dbraw/zinc/40/70/62/720407062.db2.gz LZMKQSZMYCUMIU-IHRRRGAJSA-N 0 0 442.970 4.016 20 0 IIADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cccc(Cl)n2)C3)c1 ZINC001164725792 720490447 /nfs/dbraw/zinc/49/04/47/720490447.db2.gz KGYMADSFIYATNT-QRWLVFNGSA-N 0 0 441.881 4.143 20 0 IIADRN COc1ccc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COc3ccccn3)C2)nc1Cl ZINC001164735833 720539295 /nfs/dbraw/zinc/53/92/95/720539295.db2.gz RYYCAMIQZKRKRQ-QRWLVFNGSA-N 0 0 439.890 4.138 20 0 IIADRN CC[C@@H]1N(c2nc(CN3CCCCC3)nc3sc(C)c(C)c32)CCC[C@@]12CCC(=O)N2 ZINC001164848920 720755666 /nfs/dbraw/zinc/75/56/66/720755666.db2.gz QYRPLTDIOLFARM-MHECFPHRSA-N 0 0 441.645 4.322 20 0 IIADRN O=C1CC[C@@H]2[C@H](CCN2C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)N1c1ccccc1 ZINC001164843846 720762792 /nfs/dbraw/zinc/76/27/92/720762792.db2.gz AWHDWRQMGIGCIM-SJORKVTESA-N 0 0 447.917 4.049 20 0 IIADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164850741 720770825 /nfs/dbraw/zinc/77/08/25/720770825.db2.gz XSGXUEMLAZBVOS-KKUMJFAQSA-N 0 0 445.297 4.066 20 0 IIADRN Fc1ccc(C(F)(F)N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)nc1Cl ZINC001164844303 720771746 /nfs/dbraw/zinc/77/17/46/720771746.db2.gz BLCKNZBFOIOLNW-OIISXLGYSA-N 0 0 427.854 4.157 20 0 IIADRN COc1ccc(C(F)(F)N2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)c(Cl)n1 ZINC001164850057 720807497 /nfs/dbraw/zinc/80/74/97/720807497.db2.gz IDZBXDARTDBXNB-NRFANRHFSA-N 0 0 435.902 4.226 20 0 IIADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164756979 721026688 /nfs/dbraw/zinc/02/66/88/721026688.db2.gz CANHVJDWCUEHEC-KBXCAEBGSA-N 0 0 445.297 4.068 20 0 IIADRN COc1ccc(C(F)(F)N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1Cl ZINC001164770517 721028785 /nfs/dbraw/zinc/02/87/85/721028785.db2.gz YJVHRGFXNBZSOZ-OXJNMPFZSA-N 0 0 439.890 4.028 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cccc5ccnc(Cl)c54)C[C@H]32)N=C1C ZINC001164870193 721230486 /nfs/dbraw/zinc/23/04/86/721230486.db2.gz GGNDYTOAOIQQQS-LUQKVYGDSA-N 0 0 432.902 4.299 20 0 IIADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164872661 721246374 /nfs/dbraw/zinc/24/63/74/721246374.db2.gz DYVMMZJRNDKYOE-DBVUQKKJSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164872663 721246411 /nfs/dbraw/zinc/24/64/11/721246411.db2.gz DYVMMZJRNDKYOE-UXPWSPDFSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164874111 721250548 /nfs/dbraw/zinc/25/05/48/721250548.db2.gz JGZNXHLGYHLFMT-ZACQAIPSSA-N 0 0 434.874 4.362 20 0 IIADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164770654 721274104 /nfs/dbraw/zinc/27/41/04/721274104.db2.gz WFNLBNCIQIHRNR-ZDUSSCGKSA-N 0 0 440.281 4.240 20 0 IIADRN Cc1ccc(C(F)(F)N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@H]3C2)nc1Cl ZINC001164877324 721297283 /nfs/dbraw/zinc/29/72/83/721297283.db2.gz MKSTXIVFVMTBCW-ZBFHGGJFSA-N 0 0 441.931 4.017 20 0 IIADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164875201 721310817 /nfs/dbraw/zinc/31/08/17/721310817.db2.gz CRTKPBAZGJCVGM-UHOFOFEASA-N 0 0 430.282 4.391 20 0 IIADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164873152 721313132 /nfs/dbraw/zinc/31/31/32/721313132.db2.gz ALPXGKUMAXNXQV-NIKGAXFTSA-N 0 0 446.885 4.286 20 0 IIADRN FC(F)(N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21)C1(c2ccnc(Cl)c2)CC1 ZINC001164878479 721315180 /nfs/dbraw/zinc/31/51/80/721315180.db2.gz OQIWGYLZFHEMEK-RYQLBKOJSA-N 0 0 435.902 4.313 20 0 IIADRN Cc1nc(C(F)(F)N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)nc(Cl)c1C ZINC001164779402 721315512 /nfs/dbraw/zinc/31/55/12/721315512.db2.gz XRIHVHRQTDXONF-UHFFFAOYSA-N 0 0 433.865 4.493 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164879910 721316100 /nfs/dbraw/zinc/31/61/00/721316100.db2.gz UJBFUNLNGMZGJE-OAHLLOKOSA-N 0 0 426.294 4.434 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164875324 721317130 /nfs/dbraw/zinc/31/71/30/721317130.db2.gz DZEOVDNHGKQCQW-QGZVFWFLSA-N 0 0 442.897 4.328 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164877221 721317426 /nfs/dbraw/zinc/31/74/26/721317426.db2.gz KAMPSFZQWMSJBI-AWEZNQCLSA-N 0 0 426.294 4.434 20 0 IIADRN CCN1CC[C@@]2(CN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)C[C@@H]2C)C1=O ZINC001164779379 721318843 /nfs/dbraw/zinc/31/88/43/721318843.db2.gz XKSMZZVAANSIKI-VOJFVSQTSA-N 0 0 429.298 4.176 20 0 IIADRN CCN1CC[C@@]2(CN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)C[C@H]2C)C1=O ZINC001164776973 721318938 /nfs/dbraw/zinc/31/89/38/721318938.db2.gz HXNCRVWDGGXSLG-ZMZPIMSZSA-N 0 0 429.298 4.176 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)C[C@@H]2C)C1=O ZINC001164778940 721318983 /nfs/dbraw/zinc/31/89/83/721318983.db2.gz RVECXQOQNCFMIG-BBATYDOGSA-N 0 0 429.298 4.176 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)C[C@H]2C)C1=O ZINC001164776970 721319070 /nfs/dbraw/zinc/31/90/70/721319070.db2.gz HXNCRVWDGGXSLG-ADLMAVQZSA-N 0 0 429.298 4.176 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)C[C@H]2C)C1=O ZINC001164778939 721319130 /nfs/dbraw/zinc/31/91/30/721319130.db2.gz RVECXQOQNCFMIG-ADLMAVQZSA-N 0 0 429.298 4.176 20 0 IIADRN CCN1CC[C@@]2(CN(C(F)(F)c3cc(-c4cccc(C)c4)nnc3Cl)C[C@H]2C)C1=O ZINC001164775879 721323181 /nfs/dbraw/zinc/32/31/81/721323181.db2.gz AHJFAXTZLCDDFV-VFNWGFHPSA-N 0 0 434.918 4.345 20 0 IIADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1ccnc(Cl)c1F)CC2 ZINC001164778974 721325073 /nfs/dbraw/zinc/32/50/73/721325073.db2.gz SJXYYNKKQTXHLF-GFCCVEGCSA-N 0 0 431.817 4.160 20 0 IIADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164777914 721325751 /nfs/dbraw/zinc/32/57/51/721325751.db2.gz MWHPMSNXOWGOMV-LBPRGKRZSA-N 0 0 431.817 4.160 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cnc4cccc(Cl)c4n3)C2)C1 ZINC001164776431 721340786 /nfs/dbraw/zinc/34/07/86/721340786.db2.gz BGMGJIAGJNLHFF-QHCPKHFHSA-N 0 0 441.963 4.007 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(Cl)cc(C(C)(C)C)n3)C2)C1 ZINC001164780805 721363080 /nfs/dbraw/zinc/36/30/80/721363080.db2.gz HRNGCXMSUHJBJJ-HSZRJFAPSA-N 0 0 448.011 4.151 20 0 IIADRN O=C1CO[C@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C[C@H]2N1c1cccc(F)c1 ZINC001164881270 721366925 /nfs/dbraw/zinc/36/69/25/721366925.db2.gz ATPALDJAGVZNAV-MOPGFXCFSA-N 0 0 447.844 4.193 20 0 IIADRN COCCN1CCN(C(F)(F)c2cc(Cl)c(Cl)nc2Cl)Cc2cccnc21 ZINC001164888746 721369413 /nfs/dbraw/zinc/36/94/13/721369413.db2.gz WMJNIYNBNWFECO-UHFFFAOYSA-N 0 0 437.705 4.455 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(C(C)C)nc(Cl)c3C)C2)C1 ZINC001164779817 721373875 /nfs/dbraw/zinc/37/38/75/721373875.db2.gz CKYJMKDQYLBNMH-HSZRJFAPSA-N 0 0 448.011 4.286 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164782998 721384409 /nfs/dbraw/zinc/38/44/09/721384409.db2.gz MTOWTSKFSPNJKF-UZLBHIALSA-N 0 0 441.881 4.406 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164789593 721433580 /nfs/dbraw/zinc/43/35/80/721433580.db2.gz VUDIKMKNFZXQRO-HZPDHXFCSA-N 0 0 447.942 4.367 20 0 IIADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2cc(Cl)ncn2)CCO3)cs1 ZINC001164786395 721442822 /nfs/dbraw/zinc/44/28/22/721442822.db2.gz UXJZEFCFNOXIDK-RDTXWAMCSA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4cc(C)nc(Cl)c4)C3)C2=O)cs1 ZINC001164888385 721460394 /nfs/dbraw/zinc/46/03/94/721460394.db2.gz LUXGERCKJMUEGV-LJQANCHMSA-N 0 0 440.947 4.372 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)CC[C@@H]21 ZINC001164894778 721464605 /nfs/dbraw/zinc/46/46/05/721464605.db2.gz YNYRKXXJGJXDCX-SJORKVTESA-N 0 0 434.918 4.425 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)CC[C@@H]21 ZINC001164894182 721465849 /nfs/dbraw/zinc/46/58/49/721465849.db2.gz WEFLUENHTVQSJT-CJNGLKHVSA-N 0 0 440.947 4.487 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001164889726 721469287 /nfs/dbraw/zinc/46/92/87/721469287.db2.gz IFRWJILBPIZZPZ-MRXNPFEDSA-N 0 0 433.890 4.033 20 0 IIADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1ccc(Cl)c(Cl)n1 ZINC001164891020 721474959 /nfs/dbraw/zinc/47/49/59/721474959.db2.gz ADBGBDDFXLTFHP-LJQANCHMSA-N 0 0 441.309 4.490 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)Cc2cnn(C)c21 ZINC001164793505 721477121 /nfs/dbraw/zinc/47/71/21/721477121.db2.gz WLOAFTJUWYTJSJ-GFCCVEGCSA-N 0 0 442.297 4.355 20 0 IIADRN FC(F)(c1cccc2ccnc(Cl)c21)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164898063 721486609 /nfs/dbraw/zinc/48/66/09/721486609.db2.gz VHSBDVBDHOPEHK-OAHLLOKOSA-N 0 0 428.874 4.163 20 0 IIADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164899106 721487238 /nfs/dbraw/zinc/48/72/38/721487238.db2.gz XZHGTAZOXHMATA-LLVKDONJSA-N 0 0 447.704 4.316 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001164893219 721488131 /nfs/dbraw/zinc/48/81/31/721488131.db2.gz BTGQJSUQQPBFNP-HNNXBMFYSA-N 0 0 444.873 4.270 20 0 IIADRN CSc1ccc(C(F)(F)N2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)nc1Cl ZINC001164897197 721489631 /nfs/dbraw/zinc/48/96/31/721489631.db2.gz CEADWYDKKTXLSI-CYBMUJFWSA-N 0 0 445.963 4.046 20 0 IIADRN O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001164898524 721504646 /nfs/dbraw/zinc/50/46/46/721504646.db2.gz SRQRWBFTAOJUDC-SFHVURJKSA-N 0 0 442.897 4.471 20 0 IIADRN COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@]3(COc3ccccn3)C2)c(Cl)n1 ZINC001164794935 721506147 /nfs/dbraw/zinc/50/61/47/721506147.db2.gz GHAHKLYRCZCQJS-XOBRGWDASA-N 0 0 437.874 4.147 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1C[C@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164795533 721506150 /nfs/dbraw/zinc/50/61/50/721506150.db2.gz KZUMSWZWAJMFLU-JLTOFOAXSA-N 0 0 431.874 4.304 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2Cl)[C@H]2CCCO[C@H]12 ZINC001164808374 721529944 /nfs/dbraw/zinc/52/99/44/721529944.db2.gz RRRKXARQWDUUBA-SCTDSRPQSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164804475 721530227 /nfs/dbraw/zinc/53/02/27/721530227.db2.gz JYSRCECGQRWYDD-FRQCXROJSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3c(Cl)ccnc32)[C@@H]2CCCO[C@@H]12 ZINC001164805051 721551469 /nfs/dbraw/zinc/55/14/69/721551469.db2.gz KQAYNAPWHKAVJV-DBXWQHBBSA-N 0 0 444.366 4.200 20 0 IIADRN C[C@@H]1CCc2c(sc3ncnc(N4C[C@H](N(C)Cc5cccnc5)[C@H]5OCCC[C@@H]54)c32)C1 ZINC001164807215 721552283 /nfs/dbraw/zinc/55/22/83/721552283.db2.gz QNRCZNKHTTXRJA-LLPLAXKASA-N 0 0 449.624 4.079 20 0 IIADRN C[C@@H]1CCc2c(sc3ncnc(N4C[C@H](N(C)Cc5cccnc5)[C@@H]5OCCC[C@H]54)c32)C1 ZINC001164807216 721552500 /nfs/dbraw/zinc/55/25/00/721552500.db2.gz QNRCZNKHTTXRJA-LOODEUFTSA-N 0 0 449.624 4.079 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3Cl)nn2)[C@@H]2CCCO[C@H]12 ZINC001164798637 721566470 /nfs/dbraw/zinc/56/64/70/721566470.db2.gz BROBOJWNLZUDGY-AKFKNWHVSA-N 0 0 435.959 4.060 20 0 IIADRN Cc1nc2sc3c(c2c(N2C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]42)n1)CCCC3 ZINC001164807328 721575861 /nfs/dbraw/zinc/57/58/61/721575861.db2.gz SRNXQMFTABYQSG-ZRCGQRJVSA-N 0 0 449.624 4.142 20 0 IIADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cccnc1Cl ZINC001164901132 721577367 /nfs/dbraw/zinc/57/73/67/721577367.db2.gz CEEDJUOJNAZQAJ-GOSISDBHSA-N 0 0 440.922 4.043 20 0 IIADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1ccc(Cl)nc1 ZINC001164905041 721577401 /nfs/dbraw/zinc/57/74/01/721577401.db2.gz XNHZAPBEXZARMP-GOSISDBHSA-N 0 0 440.922 4.043 20 0 IIADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)COc2ccc(Cl)nn2)C3)c1 ZINC001164799760 721601426 /nfs/dbraw/zinc/60/14/26/721601426.db2.gz KCWKMDPSYQIYGQ-XLIONFOSSA-N 0 0 438.906 4.124 20 0 IIADRN CCOC(=O)c1cc(Cl)nc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c1 ZINC001164912114 721743560 /nfs/dbraw/zinc/74/35/60/721743560.db2.gz LQUCHYVQICMPEG-UHFFFAOYSA-N 0 0 440.931 4.094 20 0 IIADRN COc1ccccc1-c1ccc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nn1 ZINC001164912563 721760758 /nfs/dbraw/zinc/76/07/58/721760758.db2.gz ZZQYYCNNHGGFSB-UHFFFAOYSA-N 0 0 441.535 4.335 20 0 IIADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3cccc4c(Cl)ncnc43)[C@@H]2C1 ZINC001165018996 721772759 /nfs/dbraw/zinc/77/27/59/721772759.db2.gz VIWSRYUNIBWJMZ-XJKSGUPXSA-N 0 0 432.858 4.162 20 0 IIADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164915861 721807541 /nfs/dbraw/zinc/80/75/41/721807541.db2.gz LVAPNOBOOVZOKH-PBHICJAKSA-N 0 0 432.254 4.025 20 0 IIADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164915864 721807754 /nfs/dbraw/zinc/80/77/54/721807754.db2.gz LVAPNOBOOVZOKH-WMLDXEAASA-N 0 0 432.254 4.025 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(c2c(C)c(Cl)nc3cc(F)cc(F)c32)CC1 ZINC001164919210 721821358 /nfs/dbraw/zinc/82/13/58/721821358.db2.gz OCVOTEFCMRHJDA-UHFFFAOYSA-N 0 0 431.918 4.421 20 0 IIADRN CCOC(=O)C1(F)CCN(C(F)(F)Oc2ccc3nc(Cl)c(Cl)nc3c2)CC1 ZINC001165017335 721834751 /nfs/dbraw/zinc/83/47/51/721834751.db2.gz KPOBFCWWSZHTIM-UHFFFAOYSA-N 0 0 438.233 4.233 20 0 IIADRN CCOC(=O)C1(F)CCN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)CC1 ZINC001165018525 721834997 /nfs/dbraw/zinc/83/49/97/721834997.db2.gz TWCMPWCUDQFIAQ-UHFFFAOYSA-N 0 0 446.592 4.038 20 0 IIADRN Fc1ccc(OC2CCN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)CC2)c(Cl)c1 ZINC001165032868 721880309 /nfs/dbraw/zinc/88/03/09/721880309.db2.gz GMPFAXXPYRQAOC-UHFFFAOYSA-N 0 0 432.233 4.343 20 0 IIADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC[C@H]3[C@H]2CCC(=O)N3C)c2ccccc21 ZINC001164932121 721892406 /nfs/dbraw/zinc/89/24/06/721892406.db2.gz GULRMRCXCIDJCP-ZWKOTPCHSA-N 0 0 445.901 4.033 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@@H]21)NC1CCC1 ZINC001164931208 721895907 /nfs/dbraw/zinc/89/59/07/721895907.db2.gz DOPXNTNGKMBVPS-QSFXBCCZSA-N 0 0 449.929 4.333 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC[C@H]21)NC1CCC1 ZINC001164936478 721897512 /nfs/dbraw/zinc/89/75/12/721897512.db2.gz YWFYDCDYZWYFIQ-CVAIRZPRSA-N 0 0 449.929 4.333 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC[C@@H]21)NC1CCC1 ZINC001164936476 721897519 /nfs/dbraw/zinc/89/75/19/721897519.db2.gz YWFYDCDYZWYFIQ-BPAFIMBUSA-N 0 0 449.929 4.333 20 0 IIADRN FC(F)(c1ccc(Cl)nc1)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164936747 721897971 /nfs/dbraw/zinc/89/79/71/721897971.db2.gz ZZFMXSVFVIFLBC-NRFANRHFSA-N 0 0 428.870 4.415 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC[C@@H]21)NC1CCC1 ZINC001164929876 721898002 /nfs/dbraw/zinc/89/80/02/721898002.db2.gz ALVZBQXRFRPBGV-LJHODMEESA-N 0 0 439.934 4.057 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncnc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164943228 721940433 /nfs/dbraw/zinc/94/04/33/721940433.db2.gz ONONIVRIEVDEKC-SFTDATJTSA-N 0 0 447.564 4.053 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C[C@@H]21 ZINC001164943406 721943529 /nfs/dbraw/zinc/94/35/29/721943529.db2.gz OEGUJFHGSHUMIZ-PMACEKPBSA-N 0 0 448.901 4.128 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@@H]21 ZINC001164948062 721951895 /nfs/dbraw/zinc/95/18/95/721951895.db2.gz RIXDFNBYUOVWOI-PMACEKPBSA-N 0 0 448.901 4.128 20 0 IIADRN O=C(c1cccnc1N1CCCC[C@@H]1c1cccnc1)N1CCN(Cc2ccccc2)CC1 ZINC001165046052 721963224 /nfs/dbraw/zinc/96/32/24/721963224.db2.gz HLSRDGFUGDCLCH-RUZDIDTESA-N 0 0 441.579 4.166 20 0 IIADRN Cc1ccc2cc(Cl)nc(N3CCC4(CC3)C(=O)NCCN4Cc3ccccc3)c2c1 ZINC001164947739 721976298 /nfs/dbraw/zinc/97/62/98/721976298.db2.gz RVHSMAXPURUGKD-UHFFFAOYSA-N 0 0 434.971 4.168 20 0 IIADRN Cc1ccc(Cl)c(O[C@@H]2CCCN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C2)c1 ZINC001165050547 721979802 /nfs/dbraw/zinc/97/98/02/721979802.db2.gz UWDFQUBNJPQHMM-GFCCVEGCSA-N 0 0 430.282 4.388 20 0 IIADRN FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CCC4(C3)OCCO4)c(Cl)nn2)c1 ZINC001165048142 721986041 /nfs/dbraw/zinc/98/60/41/721986041.db2.gz JYOMDJMVJRQKDW-UHFFFAOYSA-N 0 0 435.780 4.314 20 0 IIADRN CC1(C)C(=O)NCCN1c1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001165051556 721994956 /nfs/dbraw/zinc/99/49/56/721994956.db2.gz JASAFEGYOCICDP-UHFFFAOYSA-N 0 0 441.626 4.121 20 0 IIADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164949756 721998734 /nfs/dbraw/zinc/99/87/34/721998734.db2.gz GYPHLYPAUBXQPB-UHFFFAOYSA-N 0 0 445.901 4.349 20 0 IIADRN COc1ccc(C(F)(F)N2C[C@@H]3Cc4c(c(-c5ccccc5)nn4C)[C@@H]3C2)c(Cl)n1 ZINC001164953739 722004119 /nfs/dbraw/zinc/00/41/19/722004119.db2.gz UFDLUPHKHMTAJJ-LSDHHAIUSA-N 0 0 430.886 4.465 20 0 IIADRN Cc1nc(C(F)(F)N2C[C@@H]3Cc4c(c(-c5ccccc5)nn4C)[C@@H]3C2)nc(Cl)c1C ZINC001164953131 722004521 /nfs/dbraw/zinc/00/45/21/722004521.db2.gz OXWRMAPICNJDQM-JKSUJKDBSA-N 0 0 429.902 4.468 20 0 IIADRN Clc1cccc(Oc2nc(Cl)ncc2N2CCN(CCc3ccccn3)CC2)c1 ZINC001165055202 722019683 /nfs/dbraw/zinc/01/96/83/722019683.db2.gz LWGBVSXLNOBHGV-UHFFFAOYSA-N 0 0 430.339 4.335 20 0 IIADRN Cc1ccc(-c2cc(C(F)(F)N3CCN(CCc4ccccn4)CC3)c(Cl)nn2)cc1 ZINC001165056198 722020335 /nfs/dbraw/zinc/02/03/35/722020335.db2.gz ZQAUMZYCRBKKGO-UHFFFAOYSA-N 0 0 443.929 4.410 20 0 IIADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN([C@H](F)Oc2ccc(Cl)nc2)C3)n1 ZINC001164957161 722026608 /nfs/dbraw/zinc/02/66/08/722026608.db2.gz ADLYIPHNWKSZJN-ILWGZMRPSA-N 0 0 435.927 4.158 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001164963388 722027980 /nfs/dbraw/zinc/02/79/80/722027980.db2.gz SRWKSZDFFNMIMT-RBSFLKMASA-N 0 0 434.245 4.283 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1c[nH]c2nc(Cl)ccc12 ZINC001164956279 722028772 /nfs/dbraw/zinc/02/87/72/722028772.db2.gz DEOJFYWLNXLXTR-BFYDXBDKSA-N 0 0 438.837 4.111 20 0 IIADRN CSc1ccc(C(F)(F)N2CCO[C@@H]3[C@H](Oc4ncccc4F)CC[C@H]32)nc1Cl ZINC001164957887 722029049 /nfs/dbraw/zinc/02/90/49/722029049.db2.gz NRTUIHUKJATLFG-IOASZLSFSA-N 0 0 445.894 4.351 20 0 IIADRN Cc1cc(C(F)(F)N2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)cc(Cl)n1 ZINC001164962910 722038529 /nfs/dbraw/zinc/03/85/29/722038529.db2.gz OQULRHABKJJLOT-RTHVDDQRSA-N 0 0 439.959 4.471 20 0 IIADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C[C@H]3O2)n1 ZINC001164959130 722043268 /nfs/dbraw/zinc/04/32/68/722043268.db2.gz HHHHLLVOKYVBHR-QWQRMKEZSA-N 0 0 438.906 4.077 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C[C@H]21 ZINC001164960407 722048478 /nfs/dbraw/zinc/04/84/78/722048478.db2.gz VYSQJTOERUKDLU-MAUKXSAKSA-N 0 0 444.869 4.286 20 0 IIADRN O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001164966142 722064424 /nfs/dbraw/zinc/06/44/24/722064424.db2.gz OQQWRPFDNJLMKG-SJORKVTESA-N 0 0 434.899 4.383 20 0 IIADRN CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001164965983 722066312 /nfs/dbraw/zinc/06/63/12/722066312.db2.gz UXPJJRKAVFHDFN-UHFFFAOYSA-N 0 0 449.354 4.381 20 0 IIADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164967862 722077993 /nfs/dbraw/zinc/07/79/93/722077993.db2.gz LIDBHQUALQKTGT-UHFFFAOYSA-N 0 0 426.294 4.392 20 0 IIADRN O=C1CC2(CCN(C(F)(F)c3nccnc3Cl)CC2)c2ccccc2N1CC1CC1 ZINC001164976246 722161212 /nfs/dbraw/zinc/16/12/12/722161212.db2.gz VVEDKYYNOIOQDL-UHFFFAOYSA-N 0 0 432.902 4.360 20 0 IIADRN COc1ccc2nc(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)c(C)cc2c1 ZINC001164983564 722174316 /nfs/dbraw/zinc/17/43/16/722174316.db2.gz BIXUNXYFECDUAV-GOTSBHOMSA-N 0 0 438.597 4.187 20 0 IIADRN CSc1nc2sccc2c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1 ZINC001164990841 722176214 /nfs/dbraw/zinc/17/62/14/722176214.db2.gz WNEGFHKIHTXSAH-DLBZAZTESA-N 0 0 447.655 4.048 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)nc5c6ccccc6oc54)CC[C@@H]32)cs1 ZINC001164986530 722183902 /nfs/dbraw/zinc/18/39/02/722183902.db2.gz DKTUQCNEVKPMFS-PZJWPPBQSA-N 0 0 449.580 4.319 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(-c5cccc(C)c5)nn4)CC[C@H]32)cs1 ZINC001164986134 722185263 /nfs/dbraw/zinc/18/52/63/722185263.db2.gz DEZMLRMTCGTTNY-PKTZIBPZSA-N 0 0 435.597 4.087 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(-c5cc(C)ccc5C)nn4)CC[C@H]32)cs1 ZINC001164990707 722185485 /nfs/dbraw/zinc/18/54/85/722185485.db2.gz RUWCZYYLDVVACJ-DNQXCXABSA-N 0 0 449.624 4.395 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(C)nc(-c5ccsc5)n4)CC[C@H]32)cs1 ZINC001164985316 722185766 /nfs/dbraw/zinc/18/57/66/722185766.db2.gz BDCANYDUKWCTQC-WOJBJXKFSA-N 0 0 441.626 4.148 20 0 IIADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164989756 722187453 /nfs/dbraw/zinc/18/74/53/722187453.db2.gz JNVBWNIGVRTMQX-HNNXBMFYSA-N 0 0 436.330 4.035 20 0 IIADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001164992488 722187462 /nfs/dbraw/zinc/18/74/62/722187462.db2.gz UJJQBVDGXOCIST-CQSZACIVSA-N 0 0 436.330 4.035 20 0 IIADRN CC(=O)N1CC2(CCN(C(F)(F)c3c4c(nnc3Cl)CCC4)CC2)c2cc(C)ccc21 ZINC001164987861 722189640 /nfs/dbraw/zinc/18/96/40/722189640.db2.gz BWEFGLACPYEXGX-UHFFFAOYSA-N 0 0 446.929 4.377 20 0 IIADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2nc3ccccc3nc2Cl)n1 ZINC001164998830 722226830 /nfs/dbraw/zinc/22/68/30/722226830.db2.gz FNNYUHQJDUNION-MRXNPFEDSA-N 0 0 448.905 4.042 20 0 IIADRN CC(C)CN1c2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)CC[C@@H]21 ZINC001165003272 722245619 /nfs/dbraw/zinc/24/56/19/722245619.db2.gz IXFKACCWQSOSHL-APWZRJJASA-N 0 0 434.918 4.217 20 0 IIADRN FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@@H](OCC2CC2)[C@H]1Cc1ccccc1 ZINC001165005219 722272087 /nfs/dbraw/zinc/27/20/87/722272087.db2.gz FXLBCGSPUAWNTQ-HZPDHXFCSA-N 0 0 433.890 4.119 20 0 IIADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)c2cccnc2Cl)CC3)cs1 ZINC001165005212 722272342 /nfs/dbraw/zinc/27/23/42/722272342.db2.gz FUVZHOOFYGKVJY-OAHLLOKOSA-N 0 0 429.920 4.390 20 0 IIADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)Oc2ccnc(Cl)c2)CC3)cs1 ZINC001165008575 722273171 /nfs/dbraw/zinc/27/31/71/722273171.db2.gz LDUUUFAHPFRXRD-MRXNPFEDSA-N 0 0 445.919 4.269 20 0 IIADRN C[C@H](CC(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC001123268550 939817773 /nfs/dbraw/zinc/81/77/73/939817773.db2.gz SJAZQDPLGCANLM-UZUQRXQVSA-N 0 0 448.485 4.435 20 0 IIADRN Cc1ccc(-c2ncc(C(=O)N[C@@]3(C(=O)[O-])CCC[N@H+](Cc4ccccc4)C3)s2)c(C)c1 ZINC001123372134 939821846 /nfs/dbraw/zinc/82/18/46/939821846.db2.gz JNBGWAPOOBMFPZ-VWLOTQADSA-N 0 0 449.576 4.276 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000426665527 1126081537 /nfs/dbraw/zinc/08/15/37/1126081537.db2.gz XDEOSQWWEYOBHZ-QGZVFWFLSA-N 0 0 433.327 4.064 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000426723705 1126082640 /nfs/dbraw/zinc/08/26/40/1126082640.db2.gz NCLXDRHVDFRZPK-MRXNPFEDSA-N 0 0 440.721 4.049 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000426725178 1126083151 /nfs/dbraw/zinc/08/31/51/1126083151.db2.gz ATESGFLVRNBXIO-MRXNPFEDSA-N 0 0 440.721 4.049 20 0 IIADRN COc1ccc(C[NH2+][C@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])cc1OC ZINC000426729101 1126083835 /nfs/dbraw/zinc/08/38/35/1126083835.db2.gz ZZAGCPGMYMZUJP-QGZVFWFLSA-N 0 0 432.929 4.266 20 0 IIADRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000426729000 1126083893 /nfs/dbraw/zinc/08/38/93/1126083893.db2.gz ZDIHBKKCJCIAQB-CQSZACIVSA-N 0 0 447.335 4.424 20 0 IIADRN Cc1cc(C)cc(-c2ccc(C[NH2+][C@H](Cc3cn(-c4ccccc4)nn3)C(=O)[O-])cc2)c1 ZINC000426734830 1126084642 /nfs/dbraw/zinc/08/46/42/1126084642.db2.gz RGVOREWOLHCACS-RUZDIDTESA-N 0 0 426.520 4.337 20 0 IIADRN O=C([O-])[C@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1cccc2c1OCCO2 ZINC000426738154 1126085191 /nfs/dbraw/zinc/08/51/91/1126085191.db2.gz TWHXIFDPINPDIC-KRWDZBQOSA-N 0 0 430.913 4.020 20 0 IIADRN Cc1ccc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])c(Br)c1 ZINC000426760231 1126088612 /nfs/dbraw/zinc/08/86/12/1126088612.db2.gz ZEXVDHXZJPURQH-MRXNPFEDSA-N 0 0 427.136 4.306 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000426770406 1126089381 /nfs/dbraw/zinc/08/93/81/1126089381.db2.gz ROVDGEIXVXJYNR-HSZRJFAPSA-N 0 0 428.467 4.431 20 0 IIADRN COc1ccc(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])c(Cl)c1 ZINC000426802085 1126091197 /nfs/dbraw/zinc/09/11/97/1126091197.db2.gz UNMYNVWNKBDXPC-GOSISDBHSA-N 0 0 437.721 4.378 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000426789429 1126090770 /nfs/dbraw/zinc/09/07/70/1126090770.db2.gz UPHMBWVZFOLPQU-IBGZPJMESA-N 0 0 430.277 4.336 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000426793725 1126090870 /nfs/dbraw/zinc/09/08/70/1126090870.db2.gz RHAGKVJBHJWEHQ-LJQANCHMSA-N 0 0 430.277 4.336 20 0 IIADRN COc1c(Br)cccc1C[NH2+][C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000426748040 1126086476 /nfs/dbraw/zinc/08/64/76/1126086476.db2.gz UKXCSTLHPCCSCJ-HNNXBMFYSA-N 0 0 443.135 4.006 20 0 IIADRN CCOc1c(Cl)cc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])cc1OC ZINC000426746843 1126086589 /nfs/dbraw/zinc/08/65/89/1126086589.db2.gz KZAIBKCIZMZBHA-MRXNPFEDSA-N 0 0 442.737 4.295 20 0 IIADRN Cc1cc(Br)ccc1C[NH2+][C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000426748988 1126086823 /nfs/dbraw/zinc/08/68/23/1126086823.db2.gz BSXAXBOXFNXUBI-INIZCTEOSA-N 0 0 427.136 4.306 20 0 IIADRN COc1cc(C)c(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cc1OC ZINC000426753427 1126087482 /nfs/dbraw/zinc/08/74/82/1126087482.db2.gz IGEBZPOSUCTEAZ-QGZVFWFLSA-N 0 0 447.329 4.042 20 0 IIADRN C[C@H]1CCc2nc(C[NH2+][C@H](Cc3c[nH]c4ccc(Br)cc34)C(=O)[O-])sc2C1 ZINC000426800823 1126091259 /nfs/dbraw/zinc/09/12/59/1126091259.db2.gz PFABUOBUAOVPOY-APPDUMDISA-N 0 0 448.386 4.297 20 0 IIADRN C[C@@H]1CCc2nc(C[NH2+][C@H](Cc3c[nH]c4ccc(Br)cc34)C(=O)[O-])sc2C1 ZINC000426800826 1126091303 /nfs/dbraw/zinc/09/13/03/1126091303.db2.gz PFABUOBUAOVPOY-PIGZYNQJSA-N 0 0 448.386 4.297 20 0 IIADRN Cc1cc(C)cc(C[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C(=O)[O-])c1 ZINC000426806353 1126091425 /nfs/dbraw/zinc/09/14/25/1126091425.db2.gz BQBWMBZYZPDRDV-GOSISDBHSA-N 0 0 434.330 4.013 20 0 IIADRN O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(Br)cc1Cl ZINC000426818285 1126092596 /nfs/dbraw/zinc/09/25/96/1126092596.db2.gz VBKNHEYALKBYBO-HNNXBMFYSA-N 0 0 434.664 4.489 20 0 IIADRN CCOc1cc(C[NH2+][C@H](Cc2cc(C)cc(C)c2)C(=O)[O-])cc(Br)c1OC ZINC000426824047 1126092808 /nfs/dbraw/zinc/09/28/08/1126092808.db2.gz GFSRLHXYZRTFTB-GOSISDBHSA-N 0 0 436.346 4.259 20 0 IIADRN CC1(C)Cc2cc(C[NH2+][C@@H](Cc3c[nH]c4ccc(Br)cc34)C(=O)[O-])ccc2O1 ZINC000756333243 1126107168 /nfs/dbraw/zinc/10/71/68/1126107168.db2.gz PRJQZBXPEQKLIF-IBGZPJMESA-N 0 0 443.341 4.429 20 0 IIADRN Cc1ccc(C)c(NC(=O)Cc2nc(CN[C@@](C)(CO)Cc3ccccc3F)cs2)c1 ZINC001460855704 1126192149 /nfs/dbraw/zinc/19/21/49/1126192149.db2.gz CVTMUWLSAHLROB-XMMPIXPASA-N 0 0 441.572 4.164 20 0 IIADRN Cc1c(=O)c2cccc(C(=O)OCC(=O)c3ccc(O)cc3O)c2oc1-c1ccccc1 ZINC000013004720 556434505 /nfs/dbraw/zinc/43/45/05/556434505.db2.gz PURUVRUITXPVIQ-UHFFFAOYSA-N 0 0 430.412 4.219 20 0 IIADRN COc1cc(CC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc(OC)c1OC ZINC000018235229 563022375 /nfs/dbraw/zinc/02/23/75/563022375.db2.gz XFMGNNWDEWESGX-UHFFFAOYSA-N 0 0 442.415 4.402 20 0 IIADRN O=S(=O)(NCCc1ccc(F)cc1)c1cc(C(F)(F)F)ccc1Br ZINC000061943372 563151024 /nfs/dbraw/zinc/15/10/24/563151024.db2.gz ZANPTWAXKNCRQH-UHFFFAOYSA-N 0 0 426.229 4.128 20 0 IIADRN O=C(NCC(=O)N1CCC(c2noc3cc(F)ccc32)CC1)Nc1cccc(Cl)c1 ZINC000095593951 563190845 /nfs/dbraw/zinc/19/08/45/563190845.db2.gz PCXBJHVCLYVGFJ-UHFFFAOYSA-N 0 0 430.867 4.148 20 0 IIADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)n1 ZINC001164402691 718858476 /nfs/dbraw/zinc/85/84/76/718858476.db2.gz LHRQFWGEKMZZMR-MSOLQXFVSA-N 0 0 435.597 4.322 20 0 IIADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)C2 ZINC001164407921 718866914 /nfs/dbraw/zinc/86/69/14/718866914.db2.gz KXWJEYRDYUSWAX-UHFFFAOYSA-N 0 0 447.873 4.125 20 0 IIADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164410144 718867087 /nfs/dbraw/zinc/86/70/87/718867087.db2.gz XKXRPUSRJQKKKG-UHFFFAOYSA-N 0 0 439.677 4.370 20 0 IIADRN FC(F)(c1cccnc1Cl)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164421767 718889551 /nfs/dbraw/zinc/88/95/51/718889551.db2.gz XYSIWBYXJQJGLV-ZDUSSCGKSA-N 0 0 443.679 4.268 20 0 IIADRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164431857 718974452 /nfs/dbraw/zinc/97/44/52/718974452.db2.gz CBQMUVRLIOMSPS-NQIIRXRSSA-N 0 0 436.886 4.495 20 0 IIADRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164434813 718976044 /nfs/dbraw/zinc/97/60/44/718976044.db2.gz VUGFAPDDGADEPJ-KDOFPFPSSA-N 0 0 446.281 4.030 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)COc4ccnc(Cl)c4)C[C@@H]3O2)n1 ZINC001164635084 719261080 /nfs/dbraw/zinc/26/10/80/719261080.db2.gz HPYYBKGQLHCOCX-WBAXXEDZSA-N 0 0 438.906 4.472 20 0 IIADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164650644 719292139 /nfs/dbraw/zinc/29/21/39/719292139.db2.gz ZLFJNKIAMIXRKZ-RYRKJORJSA-N 0 0 430.282 4.281 20 0 IIADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc(-c5cc(Cl)ncn5)cc4)C[C@H]3O2)n1 ZINC001164656734 719298579 /nfs/dbraw/zinc/29/85/79/719298579.db2.gz YLCASIDQMUNSHC-JCGIZDLHSA-N 0 0 447.873 4.390 20 0 IIADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C[C@@H]3O2)n1 ZINC001164655369 719301328 /nfs/dbraw/zinc/30/13/28/719301328.db2.gz SYTKLIFJDQBKET-KKXDTOCCSA-N 0 0 447.873 4.390 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)C[C@H]2CCCO[C@H]21 ZINC001164655412 719303193 /nfs/dbraw/zinc/30/31/93/719303193.db2.gz UGVSWSOMCNYOJS-FQELHTAISA-N 0 0 435.902 4.039 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)C[C@@H]2CCCO[C@@H]12 ZINC001164647297 719304347 /nfs/dbraw/zinc/30/43/47/719304347.db2.gz DKMMBNODZDDHDL-QKYXUNIQSA-N 0 0 435.902 4.039 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)C[C@@H]2CCCO[C@@H]12 ZINC001164654247 719305329 /nfs/dbraw/zinc/30/53/29/719305329.db2.gz QXIKRKRZJXKZSQ-QKYXUNIQSA-N 0 0 435.902 4.039 20 0 IIADRN CSc1ccc(C(F)(F)N2CCc3c(CN(C)C)nn(C(C)C)c3C2)nc1Cl ZINC001164647520 719312169 /nfs/dbraw/zinc/31/21/69/719312169.db2.gz CBXKGLYWLQUQDM-UHFFFAOYSA-N 0 0 429.968 4.404 20 0 IIADRN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCO[C@@H]2[C@@H](OCC3CCCC3)CC[C@@H]21 ZINC001164663241 719343670 /nfs/dbraw/zinc/34/36/70/719343670.db2.gz XFPGIKNFQJJTTH-LNLFQRSKSA-N 0 0 438.906 4.166 20 0 IIADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001164662600 719344171 /nfs/dbraw/zinc/34/41/71/719344171.db2.gz QDBXBJCDLGYWPK-OTWHNJEPSA-N 0 0 427.923 4.495 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C)c(NC3CC3)n1)CC2 ZINC001164662876 719345030 /nfs/dbraw/zinc/34/50/30/719345030.db2.gz UYNTYAZPQWFCPA-UHFFFAOYSA-N 0 0 443.599 4.054 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(C)nc(C)nc1Cl)CC2 ZINC001164664504 719348917 /nfs/dbraw/zinc/34/89/17/719348917.db2.gz WJVFSLUUYFVUGN-UHFFFAOYSA-N 0 0 436.991 4.442 20 0 IIADRN CCN(CC)c1cncc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)n1 ZINC001164660489 719352672 /nfs/dbraw/zinc/35/26/72/719352672.db2.gz UGQKYFKEEKGVIK-UHFFFAOYSA-N 0 0 445.615 4.018 20 0 IIADRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)c1cc(-c3cccc(C)c3)nnc1Cl)C2 ZINC001164664418 719362415 /nfs/dbraw/zinc/36/24/15/719362415.db2.gz PVELYRQQUXLPBR-OAHLLOKOSA-N 0 0 448.905 4.012 20 0 IIADRN CCOC[C@@H]1CN(c2nc(Cl)ccc2CN2CCCC2)Cc2nn(CC3CC3)cc21 ZINC001164665463 719363515 /nfs/dbraw/zinc/36/35/15/719363515.db2.gz XAYROBQBNVENAL-IBGZPJMESA-N 0 0 429.996 4.078 20 0 IIADRN CCOC[C@@H]1CN(C(F)(F)c2nc(C)c(C)c(Cl)n2)Cc2nn(CC3CC3)cc21 ZINC001164664411 719363626 /nfs/dbraw/zinc/36/36/26/719363626.db2.gz PQRLKKJLMRELSN-HNNXBMFYSA-N 0 0 425.911 4.039 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2cc4ccc(Cl)nc4cn2)CC3)cc1 ZINC001164671541 719510871 /nfs/dbraw/zinc/51/08/71/719510871.db2.gz FRBRORUGFWMBQD-UHFFFAOYSA-N 0 0 426.923 4.294 20 0 IIADRN Cc1nc2c(nc(Cl)nc2N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)s1 ZINC001164674092 719511496 /nfs/dbraw/zinc/51/14/96/719511496.db2.gz ZREQEMQRQPQVNQ-UHFFFAOYSA-N 0 0 447.967 4.059 20 0 IIADRN CC(C)(C)c1cc(Cl)nc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1 ZINC001164674003 719520362 /nfs/dbraw/zinc/52/03/62/719520362.db2.gz YLNBQTGIFSCPHN-UHFFFAOYSA-N 0 0 432.971 4.438 20 0 IIADRN O=C([C@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)CC12CCOCC2)N1CC=CC1 ZINC001164676692 719559329 /nfs/dbraw/zinc/55/93/29/719559329.db2.gz FCKSCADYWQCFAO-GOSISDBHSA-N 0 0 447.913 4.065 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1ccc(Cl)nc1Cl)C[C@H]2COc1cccnc1 ZINC001164683483 719595496 /nfs/dbraw/zinc/59/54/96/719595496.db2.gz GEGMUVFQZIAGCI-LBPRGKRZSA-N 0 0 440.281 4.245 20 0 IIADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cccc3ccnc(Cl)c32)N1Cc1cccnc1 ZINC001164692847 719769411 /nfs/dbraw/zinc/76/94/11/719769411.db2.gz VYIXGOYLXZKLEW-MSOLQXFVSA-N 0 0 428.870 4.208 20 0 IIADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2ccc4cnc(Cl)nc4c2)CC3)cn1 ZINC001164695826 719825799 /nfs/dbraw/zinc/82/57/99/719825799.db2.gz GAHJAPBOXBLADU-OAHLLOKOSA-N 0 0 433.890 4.105 20 0 IIADRN COC[C@H]1CN(C(F)(F)c2cc(-c3ccc(C)cc3)nnc2Cl)Cc2cn(C)nc21 ZINC001164696380 719833751 /nfs/dbraw/zinc/83/37/51/719833751.db2.gz SSKXWXJDYIHXPZ-MRXNPFEDSA-N 0 0 433.890 4.134 20 0 IIADRN O=C1COC2(CCN(C(F)(F)c3cc(Cl)ncc3Cl)CC2)CN1c1ccccc1 ZINC001164696843 719836022 /nfs/dbraw/zinc/83/60/22/719836022.db2.gz VNNIWLUMMUELQH-UHFFFAOYSA-N 0 0 442.293 4.336 20 0 IIADRN FC(F)(c1cccc2c(Cl)nccc21)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164803897 720049627 /nfs/dbraw/zinc/04/96/27/720049627.db2.gz KYXCXSCJTQBHRU-IERDGZPVSA-N 0 0 448.901 4.084 20 0 IIADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001164710626 720091995 /nfs/dbraw/zinc/09/19/95/720091995.db2.gz KFQQBDHMMMFOAJ-UHFFFAOYSA-N 0 0 446.933 4.053 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)ncc2Cl)cs1 ZINC001164817801 720250770 /nfs/dbraw/zinc/25/07/70/720250770.db2.gz UPMRTHQKFFJGNU-HUUCEWRRSA-N 0 0 447.338 4.468 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2nc(Cl)ccc2C)cs1 ZINC001164815637 720256273 /nfs/dbraw/zinc/25/62/73/720256273.db2.gz CXIOAAFXZWJMJP-LSDHHAIUSA-N 0 0 426.920 4.123 20 0 IIADRN O=C1N(CC2CC2)CC[C@]12CCCN(C(F)(F)c1nc3ccsc3c(Cl)n1)C2 ZINC001164820829 720277416 /nfs/dbraw/zinc/27/74/16/720277416.db2.gz XUTFSZCPMYFFLM-SFHVURJKSA-N 0 0 426.920 4.119 20 0 IIADRN O=C1N(CC2CC2)CC[C@@]12CCCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164818132 720282896 /nfs/dbraw/zinc/28/28/96/720282896.db2.gz IJEKNGHRJNAEEH-DHIUTWEWSA-N 0 0 444.938 4.153 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3F)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164826073 720386928 /nfs/dbraw/zinc/38/69/28/720386928.db2.gz WKUIYAOUHVXOJE-IIAWOOMASA-N 0 0 433.883 4.137 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3F)[C@@H]3CCCO[C@H]23)cs1 ZINC001164820791 720389269 /nfs/dbraw/zinc/38/92/69/720389269.db2.gz CNECQGOXBVGMAO-INMHGKMJSA-N 0 0 433.883 4.137 20 0 IIADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3[C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)O2)n1 ZINC001164830580 720409347 /nfs/dbraw/zinc/40/93/47/720409347.db2.gz SHQWNRBWYOCLET-DCXXXQMHSA-N 0 0 445.882 4.115 20 0 IIADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C[C@H]21 ZINC001164827658 720422892 /nfs/dbraw/zinc/42/28/92/720422892.db2.gz VABWUPKVOPSAPY-GJYPPUQNSA-N 0 0 437.918 4.047 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)CC[C@@H]21)N1CCCCC1 ZINC001164834100 720498010 /nfs/dbraw/zinc/49/80/10/720498010.db2.gz RMCLEAWTTIIISC-KEYYUXOJSA-N 0 0 448.341 4.177 20 0 IIADRN O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164732214 720504370 /nfs/dbraw/zinc/50/43/70/720504370.db2.gz SLVHXGQBDHBFJQ-WIYYLYMNSA-N 0 0 448.901 4.176 20 0 IIADRN FC(F)(c1cnc(Cl)nc1Cl)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164733671 720536582 /nfs/dbraw/zinc/53/65/82/720536582.db2.gz DZOUZCOZHGWRTD-SCLBCKFNSA-N 0 0 445.297 4.178 20 0 IIADRN O=C1CC[C@@H]2[C@H](CCN2C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)N1c1ccccc1 ZINC001164850967 720767301 /nfs/dbraw/zinc/76/73/01/720767301.db2.gz YKYQXMRPRCJIQB-CVEARBPZSA-N 0 0 445.857 4.104 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164848587 720769856 /nfs/dbraw/zinc/76/98/56/720769856.db2.gz PYDDHYSWGKYBJY-ILXRZTDVSA-N 0 0 445.297 4.066 20 0 IIADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164844467 720774339 /nfs/dbraw/zinc/77/43/39/720774339.db2.gz BZOJNKJSLPEOIF-MNEFBYGVSA-N 0 0 448.901 4.499 20 0 IIADRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@H]2CN1Cc1ccncc1 ZINC001164854118 720814977 /nfs/dbraw/zinc/81/49/77/720814977.db2.gz SLKQUFSRTYWFJY-CRAIPNDOSA-N 0 0 444.869 4.030 20 0 IIADRN Cc1ccc(C(F)(F)N2CC[C@@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)nc1Cl ZINC001164855392 720899550 /nfs/dbraw/zinc/89/95/50/720899550.db2.gz BJSMGGLKHIJLQA-UWJYYQICSA-N 0 0 435.902 4.146 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@H]32)N=C1C ZINC001164869092 721228661 /nfs/dbraw/zinc/22/86/61/721228661.db2.gz BOZIVWDIIZEITD-LUQKVYGDSA-N 0 0 432.902 4.299 20 0 IIADRN O=C(N1CCCC1)C12CC(C1)CN2C(F)(F)c1cccc2c(Cl)nc(Cl)nc21 ZINC001164872050 721237148 /nfs/dbraw/zinc/23/71/48/721237148.db2.gz JNZUZADOAZFDHA-UHFFFAOYSA-N 0 0 427.282 4.073 20 0 IIADRN C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)Oc1ccc2c(Cl)ncnc2c1 ZINC001164875745 721241779 /nfs/dbraw/zinc/24/17/79/721241779.db2.gz WLXVAPMPJPCMCG-CYBMUJFWSA-N 0 0 449.889 4.412 20 0 IIADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164874108 721250491 /nfs/dbraw/zinc/25/04/91/721250491.db2.gz JGZNXHLGYHLFMT-ULQDDVLXSA-N 0 0 434.874 4.362 20 0 IIADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3cccc(Cl)n3)C2)O1)c1ccccc1 ZINC001164871881 721253702 /nfs/dbraw/zinc/25/37/02/721253702.db2.gz BCOLAPSSSKBEJF-UWJYYQICSA-N 0 0 435.902 4.228 20 0 IIADRN Clc1ccc(CN2CCCC2)c(N2CCc3c(COCc4ccccn4)cncc3C2)n1 ZINC001164764678 721270533 /nfs/dbraw/zinc/27/05/33/721270533.db2.gz HVMFKCWIJVNEIM-UHFFFAOYSA-N 0 0 449.986 4.400 20 0 IIADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164763702 721271880 /nfs/dbraw/zinc/27/18/80/721271880.db2.gz FGQCLSAHSIFRTP-CYBMUJFWSA-N 0 0 440.281 4.240 20 0 IIADRN FC(F)(c1ccc(Cl)nc1Cl)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164762952 721272205 /nfs/dbraw/zinc/27/22/05/721272205.db2.gz AWOXVHJEBMZROD-ZDUSSCGKSA-N 0 0 440.281 4.240 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2CN(C(=O)c3ccsc3)CCO[C@@H]2C1 ZINC001164874863 721297258 /nfs/dbraw/zinc/29/72/58/721297258.db2.gz DIPIMSSLVPGSGO-RHSMWYFYSA-N 0 0 441.931 4.017 20 0 IIADRN COc1ccc(C(F)(F)N2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)nc1Cl ZINC001164775185 721304443 /nfs/dbraw/zinc/30/44/43/721304443.db2.gz RRDYSPZQKFIQMM-NRFANRHFSA-N 0 0 437.918 4.473 20 0 IIADRN Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)CCO3)c1 ZINC001164775414 721305145 /nfs/dbraw/zinc/30/51/45/721305145.db2.gz WKNQOXPMVJCROP-IBGZPJMESA-N 0 0 440.947 4.148 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164879463 721311250 /nfs/dbraw/zinc/31/12/50/721311250.db2.gz MVLGWMSIPWGOPI-ZOCIIQOWSA-N 0 0 446.885 4.286 20 0 IIADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164873150 721312898 /nfs/dbraw/zinc/31/28/98/721312898.db2.gz ALPXGKUMAXNXQV-MDASCCDHSA-N 0 0 446.885 4.286 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)c1 ZINC001164881687 721314027 /nfs/dbraw/zinc/31/40/27/721314027.db2.gz XJUGWHPXLKTREV-XOKHGSTOSA-N 0 0 441.931 4.460 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CC2 ZINC001164874622 721317289 /nfs/dbraw/zinc/31/72/89/721317289.db2.gz CSEVCHMMAIBWCT-GOSISDBHSA-N 0 0 442.897 4.328 20 0 IIADRN CCN1CC[C@@]2(CN(C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)C[C@@H]2C)C1=O ZINC001164779580 721323108 /nfs/dbraw/zinc/32/31/08/721323108.db2.gz ZFUAUKQVOWYTMF-RBZFPXEDSA-N 0 0 438.881 4.176 20 0 IIADRN Cc1ccc(C(F)(F)N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)nc1Cl ZINC001164776975 721326254 /nfs/dbraw/zinc/32/62/54/721326254.db2.gz JAQOZMGKFTWQSW-AWEZNQCLSA-N 0 0 427.854 4.329 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001164877797 721328492 /nfs/dbraw/zinc/32/84/92/721328492.db2.gz WWYCCBFMNDURLT-UHFFFAOYSA-N 0 0 426.920 4.178 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cnc4cccc(Cl)c4n3)C2)C1 ZINC001164776427 721340622 /nfs/dbraw/zinc/34/06/22/721340622.db2.gz BGMGJIAGJNLHFF-HSZRJFAPSA-N 0 0 441.963 4.007 20 0 IIADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)N1c1ccsc1 ZINC001164884001 721355543 /nfs/dbraw/zinc/35/55/43/721355543.db2.gz SJGMFJSEFAWKCX-GJZGRUSLSA-N 0 0 438.862 4.413 20 0 IIADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)N1c1ccsc1 ZINC001164885075 721358233 /nfs/dbraw/zinc/35/82/33/721358233.db2.gz WPTKNFROPOGKIH-CABCVRRESA-N 0 0 447.898 4.183 20 0 IIADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cc(-c3ccco3)nnc2Cl)N1c1ccsc1 ZINC001164881276 721358360 /nfs/dbraw/zinc/35/83/60/721358360.db2.gz AVBJNLJFYPLCEN-HUUCEWRRSA-N 0 0 436.871 4.381 20 0 IIADRN O=C1CO[C@@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C[C@@H]2N1c1cccc(F)c1 ZINC001164881272 721367180 /nfs/dbraw/zinc/36/71/80/721367180.db2.gz ATPALDJAGVZNAV-RBUKOAKNSA-N 0 0 447.844 4.193 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc(C(C)C)nc(Cl)c3C)C2)C1 ZINC001164779818 721373441 /nfs/dbraw/zinc/37/34/41/721373441.db2.gz CKYJMKDQYLBNMH-QHCPKHFHSA-N 0 0 448.011 4.286 20 0 IIADRN Fc1ccc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)nc1Cl ZINC001164784538 721383273 /nfs/dbraw/zinc/38/32/73/721383273.db2.gz PZGOOCWEMNJHMD-OXJNMPFZSA-N 0 0 441.881 4.406 20 0 IIADRN Cc1nc2sc3c(c2c(N2C[C@@H]4CN(Cc5nccs5)C[C@H]4C2)n1)CCCCC3 ZINC001164789687 721427381 /nfs/dbraw/zinc/42/73/81/721427381.db2.gz WIWLREYPGXBLKZ-HOTGVXAUSA-N 0 0 425.627 4.293 20 0 IIADRN COc1cccc(-c2nc3ccccc3c(N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)n2)c1 ZINC001164786615 721431313 /nfs/dbraw/zinc/43/13/13/721431313.db2.gz PDGXZVGOYNHLKU-RTBURBONSA-N 0 0 443.576 4.330 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN([C@@H](F)Oc2cccc(Cl)n2)CCO3)cs1 ZINC001164786756 721443966 /nfs/dbraw/zinc/44/39/66/721443966.db2.gz WCKLHCMPZJHHIF-CWFSZBLJSA-N 0 0 441.956 4.220 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)CC[C@H]21 ZINC001164887600 721463915 /nfs/dbraw/zinc/46/39/15/721463915.db2.gz CRHWLMRKRSAGRN-MLGOLLRUSA-N 0 0 426.870 4.050 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC[C@@H]21 ZINC001164894678 721467361 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/nfs/dbraw/zinc/02/78/46/722027846.db2.gz ZOBPVQPCKSAQIJ-SQWLQELKSA-N 0 0 434.245 4.283 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cc(Cl)nc(Cl)c1 ZINC001164959938 722027914 /nfs/dbraw/zinc/02/79/14/722027914.db2.gz JQWNYKDDTMNVCC-XJKCOSOUSA-N 0 0 434.245 4.283 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cc(Cl)cnc1Cl ZINC001164960581 722028162 /nfs/dbraw/zinc/02/81/62/722028162.db2.gz LAFUVQYGGVKHFF-KFWWJZLASA-N 0 0 434.245 4.283 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1ccc(Cl)c(Cl)n1 ZINC001164959835 722028646 /nfs/dbraw/zinc/02/86/46/722028646.db2.gz SLOQDBOZVGHXEN-GUTXKFCHSA-N 0 0 434.245 4.283 20 0 IIADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C[C@@H]3O2)n1 ZINC001164959129 722043263 /nfs/dbraw/zinc/04/32/63/722043263.db2.gz HHHHLLVOKYVBHR-GLJUWKHASA-N 0 0 438.906 4.077 20 0 IIADRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4nc(Cl)ncc4Cl)C3)CC2=O)s1 ZINC001164964883 722043957 /nfs/dbraw/zinc/04/39/57/722043957.db2.gz VXKIUKBBNFFYGH-MRXNPFEDSA-N 0 0 433.311 4.332 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C[C@@H]21 ZINC001164957035 722048688 /nfs/dbraw/zinc/04/86/88/722048688.db2.gz HBQHBFUMBKAAAI-QAPCUYQASA-N 0 0 444.869 4.286 20 0 IIADRN F[C@@H](Oc1ccc(Cl)nc1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164961335 722049810 /nfs/dbraw/zinc/04/98/10/722049810.db2.gz YQZJUXDTQCFJLY-JOCHJYFZSA-N 0 0 438.894 4.351 20 0 IIADRN O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc2ccccc2nc1Cl ZINC001164965589 722064914 /nfs/dbraw/zinc/06/49/14/722064914.db2.gz KUXPCADRUKWYKM-IRXDYDNUSA-N 0 0 434.899 4.383 20 0 IIADRN CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164965874 722066340 /nfs/dbraw/zinc/06/63/40/722066340.db2.gz QGFHBAKJUJRSDX-UHFFFAOYSA-N 0 0 449.354 4.381 20 0 IIADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CC2 ZINC001164967643 722078282 /nfs/dbraw/zinc/07/82/82/722078282.db2.gz HLRFWACTEFBBLI-UHFFFAOYSA-N 0 0 442.897 4.287 20 0 IIADRN CC(=O)N1CCC[C@]2(C1)CN(C(F)(F)c1cnc(Cl)c(-c3cccc(C)c3)c1)CCO2 ZINC001164970412 722084365 /nfs/dbraw/zinc/08/43/65/722084365.db2.gz YANLDVMRUIZCKB-QFIPXVFZSA-N 0 0 449.929 4.473 20 0 IIADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C[C@H]2C1 ZINC001164978317 722084873 /nfs/dbraw/zinc/08/48/73/722084873.db2.gz YRUGIZQNZLCKTN-CHWSQXEVSA-N 0 0 438.881 4.098 20 0 IIADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CC2 ZINC001164978823 722091619 /nfs/dbraw/zinc/09/16/19/722091619.db2.gz YCCYJQNWUPKFIT-OAHLLOKOSA-N 0 0 449.933 4.136 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)C[C@H]21 ZINC001164984880 722096906 /nfs/dbraw/zinc/09/69/06/722096906.db2.gz XODODSNABLWTDV-BFYDXBDKSA-N 0 0 441.309 4.479 20 0 IIADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C2)C1=O ZINC001164983202 722161884 /nfs/dbraw/zinc/16/18/84/722161884.db2.gz ZJTSZCFKUCETMX-JOCHJYFZSA-N 0 0 440.881 4.466 20 0 IIADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C2)C1=O ZINC001164979800 722162866 /nfs/dbraw/zinc/16/28/66/722162866.db2.gz LACPTJBFLNVPGA-JOCHJYFZSA-N 0 0 440.881 4.466 20 0 IIADRN NC(=O)c1ccc(C(F)(F)N2C[C@@H]3c4ccccc4[C@@H](OCC4CC4)[C@@H]3C2)nc1Cl ZINC001164975368 722170378 /nfs/dbraw/zinc/17/03/78/722170378.db2.gz HZTCJTSKOTWGDE-ZHALLVOQSA-N 0 0 433.886 4.080 20 0 IIADRN CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3[C@@H](OCC4CC4)c4ccccc4[C@H]3C2)n1 ZINC001164976932 722170482 /nfs/dbraw/zinc/17/04/82/722170482.db2.gz KXSCAGRVCAZDRA-UWVAXJGDSA-N 0 0 434.918 4.442 20 0 IIADRN NC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2[C@@H](OCC3CC3)c3ccccc3[C@H]2C1 ZINC001164978801 722171242 /nfs/dbraw/zinc/17/12/42/722171242.db2.gz SHKLMOKHSORFTL-UWVAXJGDSA-N 0 0 433.886 4.080 20 0 IIADRN CSc1nc2sccc2c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)n1 ZINC001164990855 722176198 /nfs/dbraw/zinc/17/61/98/722176198.db2.gz WNEGFHKIHTXSAH-IAGOWNOFSA-N 0 0 447.655 4.048 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5c(C)cccc54)CC[C@@H]32)cs1 ZINC001164991930 722179347 /nfs/dbraw/zinc/17/93/47/722179347.db2.gz ZFEANLYWZBHVNI-RBUKOAKNSA-N 0 0 444.004 4.226 20 0 IIADRN CSc1cc(Cl)ncc1N1CC[C@@H]2[C@H](CC1)OCCN2Cc1csc(C)n1 ZINC001164989210 722180095 /nfs/dbraw/zinc/18/00/95/722180095.db2.gz LMBAMYVFCDAXIR-WBVHZDCISA-N 0 0 425.023 4.092 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4c(Cl)ncc(Cl)c4C)CC[C@H]32)cs1 ZINC001164985657 722184631 /nfs/dbraw/zinc/18/46/31/722184631.db2.gz BNFYGATUICMQAD-IAGOWNOFSA-N 0 0 427.401 4.332 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(C5CCCCC5)nc(C)n4)CC[C@@H]32)cs1 ZINC001164987641 722184765 /nfs/dbraw/zinc/18/47/65/722184765.db2.gz LCZQREPXCZGAGM-GOTSBHOMSA-N 0 0 441.645 4.467 20 0 IIADRN CC(=O)N1CC2(CCN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)CC2)c2cc(C)ccc21 ZINC001164990401 722189732 /nfs/dbraw/zinc/18/97/32/722189732.db2.gz SJBQCHFHQRELJV-UHFFFAOYSA-N 0 0 445.901 4.369 20 0 IIADRN Nc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)c1 ZINC001164998648 722221318 /nfs/dbraw/zinc/22/13/18/722221318.db2.gz KZLXNHADRCPDIL-HXUWFJFHSA-N 0 0 446.929 4.442 20 0 IIADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)Oc1cnc(Cl)cn1)CC2 ZINC001165000411 722221910 /nfs/dbraw/zinc/22/19/10/722221910.db2.gz XLTCNONXLFECIX-IBGZPJMESA-N 0 0 448.901 4.135 20 0 IIADRN CC(C)CN1c2ccccc2[C@@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)CC[C@H]21 ZINC001165004037 722245685 /nfs/dbraw/zinc/24/56/85/722245685.db2.gz MNCBABUOFNAUPF-GOEBONIOSA-N 0 0 432.906 4.341 20 0 IIADRN FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@@H](OCC2CC2)[C@H]1Cc1ccccc1 ZINC001165006835 722272115 /nfs/dbraw/zinc/27/21/15/722272115.db2.gz RGKNMDCSOHSMCJ-HZPDHXFCSA-N 0 0 433.890 4.119 20 0 IIADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)c2cc(C)nc(Cl)n2)CC3)cs1 ZINC001165007702 722272580 /nfs/dbraw/zinc/27/25/80/722272580.db2.gz XLCPLCDMVGYLSI-OAHLLOKOSA-N 0 0 444.935 4.093 20 0 IIADRN C[C@@H]1CN(C(F)(F)c2cccnc2Cl)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165008942 722273581 /nfs/dbraw/zinc/27/35/81/722273581.db2.gz MDKSRMYOWZCSLF-WIBUTAKZSA-N 0 0 436.890 4.078 20 0 IIADRN C[C@H](CC(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC001123268185 939817923 /nfs/dbraw/zinc/81/79/23/939817923.db2.gz PVOBXBSPRVEXRN-UZUQRXQVSA-N 0 0 448.485 4.435 20 0 IIADRN COc1ccc(Oc2ccc(C[NH2+][C@@H](Cc3ccc4c(c3)OCCCO4)C(=O)[O-])cc2)cc1 ZINC000426720584 1126082139 /nfs/dbraw/zinc/08/21/39/1126082139.db2.gz NTNWNRGBMGLWQN-QHCPKHFHSA-N 0 0 449.503 4.434 20 0 IIADRN COc1cc(Br)c(C[NH2+][C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])cc1OC ZINC000426723682 1126082605 /nfs/dbraw/zinc/08/26/05/1126082605.db2.gz ZVRYEDXSSFMPGK-HNNXBMFYSA-N 0 0 446.700 4.044 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000426723178 1126082699 /nfs/dbraw/zinc/08/26/99/1126082699.db2.gz KQTUGNUNKKQHQN-GOSISDBHSA-N 0 0 429.419 4.172 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000426733042 1126084476 /nfs/dbraw/zinc/08/44/76/1126084476.db2.gz LGKFXLXQSWOIBU-MRXNPFEDSA-N 0 0 429.822 4.306 20 0 IIADRN COc1cccc(C[NH2+][C@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])c1OC ZINC000426735617 1126084823 /nfs/dbraw/zinc/08/48/23/1126084823.db2.gz GAUARAXCJDHJSC-QGZVFWFLSA-N 0 0 432.929 4.266 20 0 IIADRN O=C([O-])[C@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000426736441 1126084902 /nfs/dbraw/zinc/08/49/02/1126084902.db2.gz IZNYCNCZTBWHCG-FQEVSTJZSA-N 0 0 438.940 4.435 20 0 IIADRN O=C([O-])[C@@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000426736442 1126084975 /nfs/dbraw/zinc/08/49/75/1126084975.db2.gz IZNYCNCZTBWHCG-HXUWFJFHSA-N 0 0 438.940 4.435 20 0 IIADRN CCOc1c(OC)cc(C[NH2+][C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1OC ZINC000426736392 1126085006 /nfs/dbraw/zinc/08/50/06/1126085006.db2.gz XQDMRJPEYFOMEA-INIZCTEOSA-N 0 0 428.312 4.195 20 0 IIADRN CCn1nc(C[NH2+][C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])c2ccccc21 ZINC000426758861 1126088411 /nfs/dbraw/zinc/08/84/11/1126088411.db2.gz JURXJHNQBGLPDS-KRWDZBQOSA-N 0 0 441.329 4.086 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000426773936 1126089644 /nfs/dbraw/zinc/08/96/44/1126089644.db2.gz RNMZHEBWUMVLBI-KRWDZBQOSA-N 0 0 444.281 4.223 20 0 IIADRN COc1cc(C)c(C[NH2+][C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])cc1OC ZINC000426791455 1126090742 /nfs/dbraw/zinc/09/07/42/1126090742.db2.gz IPLNBDNIYIBXEP-SFHVURJKSA-N 0 0 447.329 4.042 20 0 IIADRN COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H](Cc3ccc(F)cc3)C(=O)[O-])cc2)c1 ZINC000426743947 1126086036 /nfs/dbraw/zinc/08/60/36/1126086036.db2.gz VLXYSPPZAZVMOG-HSZRJFAPSA-N 0 0 425.456 4.421 20 0 IIADRN CCn1nc(C[NH2+][C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])c2ccccc21 ZINC000426805146 1126091500 /nfs/dbraw/zinc/09/15/00/1126091500.db2.gz ZHDUWWZLKCLXPN-SFHVURJKSA-N 0 0 441.329 4.086 20 0 IIADRN OC[C@@]1(NCc2cnc(-c3ccc(Br)cc3)s2)CCOc2ccccc21 ZINC000441343947 1126093378 /nfs/dbraw/zinc/09/33/78/1126093378.db2.gz CWAWOZDRHHHRGA-FQEVSTJZSA-N 0 0 431.355 4.333 20 0 IIADRN C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)c([O-])c(Br)c1 ZINC001462473095 1126197563 /nfs/dbraw/zinc/19/75/63/1126197563.db2.gz NADLZIMAQINOPR-KRWDZBQOSA-N 0 0 447.142 4.140 20 0 IIADRN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1nnc(-c2cccc(Cl)c2)o1 ZINC001473840380 1126200938 /nfs/dbraw/zinc/20/09/38/1126200938.db2.gz WTRDDWHULPSMDO-IBGZPJMESA-N 0 0 436.737 4.236 20 0 IIADRN F[C@@H](c1ccnc(Cl)c1)N1CCO[C@@H](c2ncn3c2cccc3Br)C1 ZINC001164416213 718890100 /nfs/dbraw/zinc/89/01/00/718890100.db2.gz CCJXMPJWFRYUTD-CXAGYDPISA-N 0 0 425.689 4.187 20 0 IIADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2C[C@@H]3OCC(F)(F)[C@H]3C2)cc1 ZINC001164424299 718926904 /nfs/dbraw/zinc/92/69/04/718926904.db2.gz MVXZRALVOAAMLY-GJZGRUSLSA-N 0 0 444.812 4.204 20 0 IIADRN FC1(F)CO[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164424762 718928300 /nfs/dbraw/zinc/92/83/00/718928300.db2.gz PISIPHGDUIBFNX-HZPDHXFCSA-N 0 0 434.556 4.026 20 0 IIADRN O=C1CC2(CCN([C@@](F)(COc3cncc(Cl)n3)C(F)F)CC2)c2cc(F)ccc21 ZINC001164423696 718939124 /nfs/dbraw/zinc/93/91/24/718939124.db2.gz JTRRIZDUWXKDRS-FQEVSTJZSA-N 0 0 443.828 4.199 20 0 IIADRN O=C1CC2(CCN([C@](F)(COc3cncc(Cl)n3)C(F)F)CC2)c2cc(F)ccc21 ZINC001164423698 718939241 /nfs/dbraw/zinc/93/92/41/718939241.db2.gz JTRRIZDUWXKDRS-HXUWFJFHSA-N 0 0 443.828 4.199 20 0 IIADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)C2 ZINC001164434623 718976070 /nfs/dbraw/zinc/97/60/70/718976070.db2.gz UNFDEIKQUJBQMS-KBXCAEBGSA-N 0 0 446.281 4.030 20 0 IIADRN Cc1ncc2n1CCN(C(F)(F)c1cnc(Cl)nc1-c1cn(C)c3ccccc13)C2 ZINC001164441259 718990035 /nfs/dbraw/zinc/99/00/35/718990035.db2.gz XUBPKEHGKOZODS-UHFFFAOYSA-N 0 0 428.874 4.359 20 0 IIADRN O=c1[nH]c2ccccc2n1C1CCN(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)CC1 ZINC001164622605 719127808 /nfs/dbraw/zinc/12/78/08/719127808.db2.gz PMYTZPKXWCOGJE-UHFFFAOYSA-N 0 0 448.905 4.172 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C[C@H]3O2)n1 ZINC001164638725 719262218 /nfs/dbraw/zinc/26/22/18/719262218.db2.gz OWQSMMOZRYBEAB-KWCYVHTRSA-N 0 0 441.935 4.234 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C[C@H]3O2)n1 ZINC001164632765 719263053 /nfs/dbraw/zinc/26/30/53/719263053.db2.gz BBCLDHYEOLJYCQ-UHOFOFEASA-N 0 0 448.905 4.426 20 0 IIADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164647006 719292008 /nfs/dbraw/zinc/29/20/08/719292008.db2.gz QHPGULWWRJLVMP-ZOBUZTSGSA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164650682 719293025 /nfs/dbraw/zinc/29/30/25/719293025.db2.gz ZYCPFXLMPQOUAP-AQNXPRMDSA-N 0 0 446.885 4.176 20 0 IIADRN CSc1ccc(C(F)(F)N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@@H]32)nc1Cl ZINC001164645726 719293744 /nfs/dbraw/zinc/29/37/44/719293744.db2.gz LHOUEJOQLZGLME-DAYGRLMNSA-N 0 0 441.931 4.350 20 0 IIADRN FC(F)(N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21)C1(c2ccnc(Cl)c2)CC1 ZINC001164656725 719295724 /nfs/dbraw/zinc/29/57/24/719295724.db2.gz YKRJHALLNIXUFL-BJLQDIEVSA-N 0 0 435.902 4.203 20 0 IIADRN FC(F)(N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21)C1(c2ccnc(Cl)c2)CC1 ZINC001164656726 719295798 /nfs/dbraw/zinc/29/57/98/719295798.db2.gz YKRJHALLNIXUFL-GGPKGHCWSA-N 0 0 435.902 4.203 20 0 IIADRN FC(F)(N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21)C1(c2ccc(Cl)nc2)CC1 ZINC001164656122 719295808 /nfs/dbraw/zinc/29/58/08/719295808.db2.gz WFAWZXQCHYKVRW-GGPKGHCWSA-N 0 0 435.902 4.203 20 0 IIADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164656092 719296140 /nfs/dbraw/zinc/29/61/40/719296140.db2.gz VYNMMSWXHISTGN-ZVDOUQERSA-N 0 0 435.902 4.117 20 0 IIADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C[C@H]3O2)n1 ZINC001164655368 719301135 /nfs/dbraw/zinc/30/11/35/719301135.db2.gz SYTKLIFJDQBKET-JEBQAFNWSA-N 0 0 447.873 4.390 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CC2 ZINC001164653554 719316056 /nfs/dbraw/zinc/31/60/56/719316056.db2.gz VKGYFUFIJYPJLX-UHFFFAOYSA-N 0 0 428.943 4.338 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccnc1OC1CCC1)CC2 ZINC001164658550 719355088 /nfs/dbraw/zinc/35/50/88/719355088.db2.gz IURCAFFNMOIIIL-UHFFFAOYSA-N 0 0 444.583 4.103 20 0 IIADRN CCOC[C@@H]1CN(C(Cl)(Cl)Oc2ccc(Cl)nc2)Cc2nn(CC3CC3)cc21 ZINC001164662670 719364397 /nfs/dbraw/zinc/36/43/97/719364397.db2.gz DCHVEKKMCZZAKY-AWEZNQCLSA-N 0 0 445.778 4.445 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2ncc4cc(Cl)ccc4n2)CC3)cc1 ZINC001164671661 719510628 /nfs/dbraw/zinc/51/06/28/719510628.db2.gz GYNBTLVAGOOLEO-UHFFFAOYSA-N 0 0 426.923 4.294 20 0 IIADRN Cc1nc(-c2ccccn2)nc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1C ZINC001164679118 719528383 /nfs/dbraw/zinc/52/83/83/719528383.db2.gz TTXVFHUULBXLMC-UHFFFAOYSA-N 0 0 447.558 4.166 20 0 IIADRN CCc1nc(Cl)nc(Cl)c1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164679247 719530372 /nfs/dbraw/zinc/53/03/72/719530372.db2.gz WGSLNTBMVHKRHB-UHFFFAOYSA-N 0 0 439.362 4.356 20 0 IIADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001164677443 719567048 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IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164717958 720066223 /nfs/dbraw/zinc/06/62/23/720066223.db2.gz ZPOGJUJASBFCOT-KURKYZTESA-N 0 0 427.854 4.254 20 0 IIADRN Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)cn1 ZINC001164713867 720077780 /nfs/dbraw/zinc/07/77/80/720077780.db2.gz UZRGZIIMKDUMBU-RTBURBONSA-N 0 0 449.933 4.445 20 0 IIADRN Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)cn1 ZINC001164713862 720078280 /nfs/dbraw/zinc/07/82/80/720078280.db2.gz UZRGZIIMKDUMBU-OALUTQOASA-N 0 0 449.933 4.445 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(Cl)c2)cs1 ZINC001164816879 720249469 /nfs/dbraw/zinc/24/94/69/720249469.db2.gz NJUUYAJQEKGVRH-CABCVRRESA-N 0 0 447.338 4.468 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(Cl)c2)cs1 ZINC001164816883 720249555 /nfs/dbraw/zinc/24/95/55/720249555.db2.gz NJUUYAJQEKGVRH-HUUCEWRRSA-N 0 0 447.338 4.468 20 0 IIADRN 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ZINC001164726997 720446839 /nfs/dbraw/zinc/44/68/39/720446839.db2.gz CPEYLBMNWKTVIG-ROUUACIJSA-N 0 0 431.874 4.183 20 0 IIADRN CC(C)(c1ccnc(Cl)c1)N1CCOC[C@]2(C[C@H](CNc3cccc(F)c3)CO2)C1 ZINC001164731589 720497855 /nfs/dbraw/zinc/49/78/55/720497855.db2.gz WPIRSQDRSGJYMX-HXOBKFHXSA-N 0 0 433.955 4.329 20 0 IIADRN CC[C@H]1N(c2nc(CN3CCCCC3)nc3sc(C)c(C)c32)CCC[C@]12CCC(=O)N2 ZINC001164848919 720755308 /nfs/dbraw/zinc/75/53/08/720755308.db2.gz QYRPLTDIOLFARM-KOSHJBKYSA-N 0 0 441.645 4.322 20 0 IIADRN Fc1ccc(C(F)(F)N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@H]32)nc1Cl ZINC001164844306 720771026 /nfs/dbraw/zinc/77/10/26/720771026.db2.gz BLCKNZBFOIOLNW-UAGQMJEPSA-N 0 0 427.854 4.157 20 0 IIADRN Fc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164847459 720773550 /nfs/dbraw/zinc/77/35/50/720773550.db2.gz MLWWJFRZJZXXEB-OLMNPRSZSA-N 0 0 427.854 4.157 20 0 IIADRN Clc1ccc(CN2CCCC2)c(N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)n1 ZINC001164845095 720774349 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PPUUPAOZCWDXLU-SFHVURJKSA-N 0 0 449.889 4.092 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cc5ccccc5nc4Cl)C[C@@H]32)N=C1C ZINC001164875129 721231632 /nfs/dbraw/zinc/23/16/32/721231632.db2.gz WLWALKXGRHSDBS-LDBYXDLTSA-N 0 0 432.902 4.299 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164879806 721246057 /nfs/dbraw/zinc/24/60/57/721246057.db2.gz ZGXGUYVYGYWEQI-AHRSYUTCSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164877246 721247436 /nfs/dbraw/zinc/24/74/36/721247436.db2.gz QJMZMDUWZJNUEY-DBVUQKKJSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164877248 721247739 /nfs/dbraw/zinc/24/77/39/721247739.db2.gz QJMZMDUWZJNUEY-VDGAXYAQSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164872245 721248533 /nfs/dbraw/zinc/24/85/33/721248533.db2.gz CSIHHRLOMXVSCQ-JLSDUUJJSA-N 0 0 434.874 4.362 20 0 IIADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164871899 721251167 /nfs/dbraw/zinc/25/11/67/721251167.db2.gz BRQIEXXDHXKXAU-MNEFBYGVSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21)C1(c2ccc(Cl)nc2)CC1 ZINC001164873329 721252819 /nfs/dbraw/zinc/25/28/19/721252819.db2.gz HQCVLKKLRKIUHM-FHWLQOOXSA-N 0 0 435.902 4.455 20 0 IIADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3ccc(Cl)nc3)C2)O1)c1ccccc1 ZINC001164876714 721253736 /nfs/dbraw/zinc/25/37/36/721253736.db2.gz PBHFPWHFZMDRHU-NQIIRXRSSA-N 0 0 435.902 4.228 20 0 IIADRN FC(F)(c1ccc(Cl)nc1Cl)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164762947 721272599 /nfs/dbraw/zinc/27/25/99/721272599.db2.gz AWOXVHJEBMZROD-CYBMUJFWSA-N 0 0 440.281 4.240 20 0 IIADRN FC(F)(N1Cc2cncn2C[C@H](COc2cccnc2)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164767111 721277012 /nfs/dbraw/zinc/27/70/12/721277012.db2.gz GLJRQJIUTBGDFI-INIZCTEOSA-N 0 0 445.901 4.162 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2CN(C(=O)c3ccsc3)CCO[C@H]2C1 ZINC001164874861 721297298 /nfs/dbraw/zinc/29/72/98/721297298.db2.gz DIPIMSSLVPGSGO-PBHICJAKSA-N 0 0 441.931 4.017 20 0 IIADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164874125 721310969 /nfs/dbraw/zinc/31/09/69/721310969.db2.gz BGEFGMFZLLDVLH-ZTFGCOKTSA-N 0 0 446.885 4.286 20 0 IIADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164882119 721311328 /nfs/dbraw/zinc/31/13/28/721311328.db2.gz ZHRLQHKMFFBZCA-AEGPPILISA-N 0 0 430.282 4.391 20 0 IIADRN Fc1ccc(-c2ncnc3c2CCN(C(F)(F)c2nc4ccc(Cl)nc4[nH]2)CC3)cc1 ZINC001164777605 721315965 /nfs/dbraw/zinc/31/59/65/721315965.db2.gz LSHLDHRSVWNDNB-UHFFFAOYSA-N 0 0 444.848 4.358 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164875319 721317435 /nfs/dbraw/zinc/31/74/35/721317435.db2.gz DZEOVDNHGKQCQW-KRWDZBQOSA-N 0 0 442.897 4.328 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)Oc1ccc(Cl)nc1Cl)CC2 ZINC001164878930 721318967 /nfs/dbraw/zinc/31/89/67/721318967.db2.gz QUYOYPRTNGTVTR-CQSZACIVSA-N 0 0 442.293 4.313 20 0 IIADRN CCN1CC[C@@]2(CN(c3nc(CN(C)C)nc4scc(-c5ccccc5)c43)C[C@@H]2C)C1=O ZINC001164779015 721321903 /nfs/dbraw/zinc/32/19/03/721321903.db2.gz TVXXNQZTPJUTJA-GKVSMKOHSA-N 0 0 449.624 4.115 20 0 IIADRN CCN1CC[C@@]2(CN(C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)C[C@H]2C)C1=O ZINC001164779582 721322973 /nfs/dbraw/zinc/32/29/73/721322973.db2.gz ZFUAUKQVOWYTMF-XCLFUZPHSA-N 0 0 438.881 4.176 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)C[C@@H]2C)C1=O ZINC001164777510 721322993 /nfs/dbraw/zinc/32/29/93/721322993.db2.gz KHXPRCWYGFTLPN-RNODOKPDSA-N 0 0 438.881 4.176 20 0 IIADRN CN(C)C1=NOC2(C1)CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001164878906 721325257 /nfs/dbraw/zinc/32/52/57/721325257.db2.gz QJBCHXKZZCVIBA-UHFFFAOYSA-N 0 0 430.286 4.116 20 0 IIADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(F)c1)CC2 ZINC001164776876 721325916 /nfs/dbraw/zinc/32/59/16/721325916.db2.gz FRKKNOHVPFPYAE-ZDUSSCGKSA-N 0 0 431.817 4.160 20 0 IIADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)ncc1F)CC2 ZINC001164776507 721325980 /nfs/dbraw/zinc/32/59/80/721325980.db2.gz DSOHQMDWHUKBRX-GFCCVEGCSA-N 0 0 431.817 4.160 20 0 IIADRN COc1ccc(C(F)(F)N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)nc1Cl ZINC001164777600 721326287 /nfs/dbraw/zinc/32/62/87/721326287.db2.gz OPQKHTFHTIIWLM-ZDUSSCGKSA-N 0 0 443.853 4.030 20 0 IIADRN O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001164876342 721328205 /nfs/dbraw/zinc/32/82/05/721328205.db2.gz OVTBFKRMKVKOEE-UHFFFAOYSA-N 0 0 430.883 4.008 20 0 IIADRN Nc1cc(C(F)(F)N2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)cnc1Cl ZINC001164776342 721328822 /nfs/dbraw/zinc/32/88/22/721328822.db2.gz DTHCFLUPFVDSSC-UHFFFAOYSA-N 0 0 438.950 4.427 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(Cl)cc(Cl)n3)C2)C1 ZINC001164777439 721333574 /nfs/dbraw/zinc/33/35/74/721333574.db2.gz NHQIZAWNZYFQFF-HXUWFJFHSA-N 0 0 425.360 4.112 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cnc4ccc(Cl)cc4n3)C2)C1 ZINC001164778277 721347212 /nfs/dbraw/zinc/34/72/12/721347212.db2.gz LYHORCURXVIBOH-HSZRJFAPSA-N 0 0 441.963 4.007 20 0 IIADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2nc(Cl)c3cccc(F)c3n2)N1c1ccsc1 ZINC001164885195 721354903 /nfs/dbraw/zinc/35/49/03/721354903.db2.gz XKPXSQVYPPSEMZ-KGLIPLIRSA-N 0 0 438.862 4.413 20 0 IIADRN Cc1sc2nc(-c3cccnc3)nc(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)c2c1C ZINC001164781929 721426666 /nfs/dbraw/zinc/42/66/66/721426666.db2.gz DVECGTCNSDVLCJ-ROUUACIJSA-N 0 0 448.621 4.395 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2ccnc(Cl)n2)CCO3)cs1 ZINC001164781990 721442952 /nfs/dbraw/zinc/44/29/52/721442952.db2.gz HWTZQBPRDWLUIU-KSSFIOAISA-N 0 0 444.935 4.032 20 0 IIADRN CCOC[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3ccncc3)c2)Cc2cnn(C)c21 ZINC001164792043 721477929 /nfs/dbraw/zinc/47/79/29/721477929.db2.gz LAYQTWHUFUUATD-INIZCTEOSA-N 0 0 433.890 4.216 20 0 IIADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164897320 721486229 /nfs/dbraw/zinc/48/62/29/721486229.db2.gz RVXFALLAXMKBEQ-OAHLLOKOSA-N 0 0 428.874 4.163 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2C[C@H]3COC[C@]3(COc3ncccc3F)C2)c1 ZINC001164791161 721487515 /nfs/dbraw/zinc/48/75/15/721487515.db2.gz BRWPVDLTWDCKRT-SGTLLEGYSA-N 0 0 445.894 4.068 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2C[C@@H]3COC[C@@]3(COc3ncccc3F)C2)c1 ZINC001164791160 721487608 /nfs/dbraw/zinc/48/76/08/721487608.db2.gz BRWPVDLTWDCKRT-KZULUSFZSA-N 0 0 445.894 4.068 20 0 IIADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3cc(C)nnc3Cl)CC2)c2ccc(C)cc21 ZINC001164899375 721492526 /nfs/dbraw/zinc/49/25/26/721492526.db2.gz KDDVEONYGZWAFO-SFHVURJKSA-N 0 0 449.933 4.204 20 0 IIADRN O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1cc3ccccc3nc1Cl)CC2 ZINC001164898007 721504743 /nfs/dbraw/zinc/50/47/43/721504743.db2.gz PLLJDBJQWDGBLC-KRWDZBQOSA-N 0 0 442.897 4.471 20 0 IIADRN c1ccc(CN2CCc3ncnc(N4C[C@@H]5CCC[C@]5(COc5ccccn5)C4)c3C2)cc1 ZINC001164796628 721505204 /nfs/dbraw/zinc/50/52/04/721505204.db2.gz URLGWTILGMWHJJ-WXVAWEFUSA-N 0 0 441.579 4.115 20 0 IIADRN COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@]3(COc3ccccn3)C2)nc1Cl ZINC001164795727 721505670 /nfs/dbraw/zinc/50/56/70/721505670.db2.gz MNMHBHVGUINJLW-XOBRGWDASA-N 0 0 437.874 4.147 20 0 IIADRN COC(=O)c1ccc(C(F)(F)N2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)c(Cl)n1 ZINC001164794933 721505986 /nfs/dbraw/zinc/50/59/86/721505986.db2.gz GHAHKLYRCZCQJS-VLIAUNLRSA-N 0 0 437.874 4.147 20 0 IIADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164795795 721506993 /nfs/dbraw/zinc/50/69/93/721506993.db2.gz NHKFMAHNEYBYGR-JLTOFOAXSA-N 0 0 437.874 4.147 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)cc3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164800645 721533981 /nfs/dbraw/zinc/53/39/81/721533981.db2.gz CVEKKJIKFPGTGW-WMTXJRDZSA-N 0 0 435.959 4.060 20 0 IIADRN CN(C)C(=O)[C@@H]1CC12CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001164906828 721569073 /nfs/dbraw/zinc/56/90/73/721569073.db2.gz KZZCSLUGAWJTKV-ZDUSSCGKSA-N 0 0 429.298 4.176 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2-c2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164803365 721583120 /nfs/dbraw/zinc/58/31/20/721583120.db2.gz HTBSDXFLNQBMNL-MZKRTTBSSA-N 0 0 435.959 4.060 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CC3)c2)[C@H]2CCCO[C@@H]12 ZINC001164803393 721591672 /nfs/dbraw/zinc/59/16/72/721591672.db2.gz HXXIGQXDVBLHLM-PWRODBHTSA-N 0 0 448.945 4.421 20 0 IIADRN COc1nc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@]2(COCc2cncc(C)c2)C1 ZINC001164799737 721601499 /nfs/dbraw/zinc/60/14/99/721601499.db2.gz JZBNIZDOKHXQFJ-OXJNMPFZSA-N 0 0 438.906 4.210 20 0 IIADRN Cc1cc(C(F)(F)N2CCC3(CCOC[C@H]3COc3cccnc3)CC2)nc(Cl)n1 ZINC001164799370 721603638 /nfs/dbraw/zinc/60/36/38/721603638.db2.gz JWTYUCAXBXHVQT-INIZCTEOSA-N 0 0 438.906 4.080 20 0 IIADRN COc1cc(C(F)(F)N2CCc3c(CN(C)Cc4ccco4)cncc3C2)cc(Cl)n1 ZINC001164909452 721747628 /nfs/dbraw/zinc/74/76/28/721747628.db2.gz UNWCDAXAAFKOBV-UHFFFAOYSA-N 0 0 448.901 4.471 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nccc(OCc3ccccc3)n1)C2 ZINC001164909523 721754385 /nfs/dbraw/zinc/75/43/85/721754385.db2.gz GTKJGUIZEJFVRH-UHFFFAOYSA-N 0 0 441.535 4.238 20 0 IIADRN COc1ccc(C(F)(F)N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc1Cl ZINC001164909003 721756357 /nfs/dbraw/zinc/75/63/57/721756357.db2.gz BTWZKTHVQZJRFB-UHFFFAOYSA-N 0 0 448.901 4.471 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(C(C)(C)C)nc3[nH]ccc31)C2 ZINC001164910668 721759189 /nfs/dbraw/zinc/75/91/89/721759189.db2.gz PKXOWZYWWOCKCP-UHFFFAOYSA-N 0 0 430.556 4.438 20 0 IIADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@H](OCC2CC2)[C@@H]2COC[C@@H]21 ZINC001165016533 721760779 /nfs/dbraw/zinc/76/07/79/721760779.db2.gz XFBCBWGMWDDJCJ-KBMXLJTQSA-N 0 0 430.282 4.112 20 0 IIADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1C[C@H](OCC2CC2)[C@H]2COC[C@@H]21 ZINC001165015610 721762370 /nfs/dbraw/zinc/76/23/70/721762370.db2.gz SPEQMKVDJCKYGG-QEJZJMRPSA-N 0 0 430.282 4.112 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(-c3ccncc3)n1)C2 ZINC001164912195 721765472 /nfs/dbraw/zinc/76/54/72/721765472.db2.gz VDZOPSGEVGZSKH-UHFFFAOYSA-N 0 0 446.942 4.375 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3ccc4cnc(Cl)nc4c3)[C@H]2C1 ZINC001165018685 721771280 /nfs/dbraw/zinc/77/12/80/721771280.db2.gz UUJGETOSTOVYET-PBHICJAKSA-N 0 0 432.858 4.162 20 0 IIADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3nc4ccccc4nc3Cl)[C@@H]2C1 ZINC001165014220 721771306 /nfs/dbraw/zinc/77/13/06/721771306.db2.gz AZBWCEBUGLSBOS-XJKSGUPXSA-N 0 0 432.858 4.162 20 0 IIADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)Oc3ccc(Cl)nc3Cl)[C@@H]2C1 ZINC001165014873 721772964 /nfs/dbraw/zinc/77/29/64/721772964.db2.gz GSNQQWPLGWTTAA-NWDGAFQWSA-N 0 0 432.254 4.147 20 0 IIADRN O=C1[C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@@H]2CN1c1cccnc1 ZINC001165024181 721789932 /nfs/dbraw/zinc/78/99/32/721789932.db2.gz QVSDZROMSZWXMF-YLJYHZDGSA-N 0 0 440.881 4.441 20 0 IIADRN Cc1ccc(C(F)(F)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)nc1Cl ZINC001164918647 721810188 /nfs/dbraw/zinc/81/01/88/721810188.db2.gz SLRNWQRXGMPSNN-CKEIUWERSA-N 0 0 429.920 4.245 20 0 IIADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1cccc3c(Cl)ncnc31)CC2 ZINC001165022546 721833158 /nfs/dbraw/zinc/83/31/58/721833158.db2.gz POWYHFDZLDDFTN-UHFFFAOYSA-N 0 0 432.833 4.458 20 0 IIADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2cccc(Cl)n2)CC1 ZINC001165020433 721837590 /nfs/dbraw/zinc/83/75/90/721837590.db2.gz IWXMASMVDWGIRD-UHFFFAOYSA-N 0 0 425.907 4.398 20 0 IIADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164924401 721838881 /nfs/dbraw/zinc/83/88/81/721838881.db2.gz MJFVRVRXABOYEA-GCJKJVERSA-N 0 0 445.897 4.498 20 0 IIADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3C)c2ccccc21 ZINC001164932120 721892507 /nfs/dbraw/zinc/89/25/07/721892507.db2.gz GULRMRCXCIDJCP-ROUUACIJSA-N 0 0 445.901 4.033 20 0 IIADRN FC(F)(c1ccnc(Cl)c1)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164936685 721897968 /nfs/dbraw/zinc/89/79/68/721897968.db2.gz ZNXBOVAQDHZBTI-NRFANRHFSA-N 0 0 428.870 4.415 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4ccsc4)nc4ccccc43)C[C@@H]21 ZINC001164947267 721957148 /nfs/dbraw/zinc/95/71/48/721957148.db2.gz PIHOGMUKVUASHV-VXKWHMMOSA-N 0 0 447.564 4.053 20 0 IIADRN F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCN(CCOc2ccccc2)CC1 ZINC001165045540 721960933 /nfs/dbraw/zinc/96/09/33/721960933.db2.gz XILGBKLNMQUFFV-HSZRJFAPSA-N 0 0 442.922 4.126 20 0 IIADRN c1cncc([C@@H]2CCCCN2c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC001165047651 721963650 /nfs/dbraw/zinc/96/36/50/721963650.db2.gz WPKCAKLPJSHEQQ-IBGZPJMESA-N 0 0 435.597 4.139 20 0 IIADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cc(Cl)nc(Cl)n3)C[C@H]12 ZINC001164946314 721965239 /nfs/dbraw/zinc/96/52/39/721965239.db2.gz MZMJRKNTRHSNQR-LPHOPBHVSA-N 0 0 441.309 4.097 20 0 IIADRN Cc1sc2nc(CN3CCCC3)nc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)c2c1C ZINC001165052049 721993623 /nfs/dbraw/zinc/99/36/23/721993623.db2.gz QDERHCPNELEJML-KRWDZBQOSA-N 0 0 430.618 4.462 20 0 IIADRN FC(F)(Sc1ccc(Cl)nc1)N1CCCn2cnc(COc3cccnc3)c2C1 ZINC001164952692 721998280 /nfs/dbraw/zinc/99/82/80/721998280.db2.gz SWSOVQDVKYRISO-UHFFFAOYSA-N 0 0 437.903 4.454 20 0 IIADRN FC(F)(F)c1nnc(N2CCN(C(F)(F)c3cc(Cl)cnc3Cl)CC2)s1 ZINC001165052094 721999495 /nfs/dbraw/zinc/99/94/95/721999495.db2.gz MQUAFXPJSBCERP-UHFFFAOYSA-N 0 0 434.221 4.130 20 0 IIADRN COc1ccc(C(F)(F)N2C[C@@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)nc1Cl ZINC001164951074 722004514 /nfs/dbraw/zinc/00/45/14/722004514.db2.gz GOYQPGNLROXFGK-GJZGRUSLSA-N 0 0 430.886 4.465 20 0 IIADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3c4c(nnc3Cl)CCC4)C[C@H]21 ZINC001164951224 722005185 /nfs/dbraw/zinc/00/51/85/722005185.db2.gz HLCXBNPEKBJRBX-HOCLYGCPSA-N 0 0 441.913 4.340 20 0 IIADRN COc1ccc(C(F)(F)N2CCN(Cc3cccnc3)c3nc(C)ccc3C2)c(Cl)n1 ZINC001164954526 722006228 /nfs/dbraw/zinc/00/62/28/722006228.db2.gz XMHYKNUFPUPBAW-UHFFFAOYSA-N 0 0 445.901 4.414 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1c[nH]c2nc(Cl)ccc12 ZINC001164956280 722028727 /nfs/dbraw/zinc/02/87/27/722028727.db2.gz DEOJFYWLNXLXTR-INMHGKMJSA-N 0 0 438.837 4.111 20 0 IIADRN COc1ccc(C(F)(F)N2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)nc1Cl ZINC001164962538 722044231 /nfs/dbraw/zinc/04/42/31/722044231.db2.gz PEUSJDBJKKVRAU-SFHVURJKSA-N 0 0 427.904 4.292 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN([C@H](F)Oc2ccc(Cl)nc2)[C@H]3C)c1 ZINC001164965658 722062963 /nfs/dbraw/zinc/06/29/63/722062963.db2.gz LKMVZJJWYAFOKT-BTYIYWSLSA-N 0 0 431.899 4.060 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)Oc2ccnc(Cl)c2)[C@@H]3C)c1 ZINC001164964339 722063485 /nfs/dbraw/zinc/06/34/85/722063485.db2.gz FVLVUAWZMRBTJV-OAHLLOKOSA-N 0 0 449.889 4.358 20 0 IIADRN O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc2ccccc2nc1Cl ZINC001164965586 722065055 /nfs/dbraw/zinc/06/50/55/722065055.db2.gz KUXPCADRUKWYKM-IAGOWNOFSA-N 0 0 434.899 4.383 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1CCc2nc(C(=O)NCC(C)C)sc2CC1 ZINC001164965916 722066494 /nfs/dbraw/zinc/06/64/94/722066494.db2.gz RULILUVYTRVQFD-UHFFFAOYSA-N 0 0 428.936 4.036 20 0 IIADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)cnc2Cl)c1 ZINC001164967384 722076417 /nfs/dbraw/zinc/07/64/17/722076417.db2.gz CVCOWYJYSWXNTD-KDURUIRLSA-N 0 0 437.893 4.385 20 0 IIADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164970366 722082834 /nfs/dbraw/zinc/08/28/34/722082834.db2.gz WXUBSLQJKIZBTA-UHFFFAOYSA-N 0 0 443.841 4.353 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)C[C@@H]21 ZINC001164984887 722096918 /nfs/dbraw/zinc/09/69/18/722096918.db2.gz XODODSNABLWTDV-YQQAZPJKSA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C[C@@H]21 ZINC001164986622 722097868 /nfs/dbraw/zinc/09/78/68/722097868.db2.gz ZPYGVXPYQQHWQN-JTDSTZFVSA-N 0 0 445.901 4.307 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)C[C@@H]21 ZINC001164986068 722097952 /nfs/dbraw/zinc/09/79/52/722097952.db2.gz XVGIJSVWKDWYRQ-TXPKVOOTSA-N 0 0 447.917 4.098 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)C[C@@H]21 ZINC001164980712 722098687 /nfs/dbraw/zinc/09/86/87/722098687.db2.gz JYLNKEVJBOOOEQ-LLGFUMIMSA-N 0 0 446.929 4.315 20 0 IIADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C2)C1=O ZINC001164981910 722162716 /nfs/dbraw/zinc/16/27/16/722162716.db2.gz TUNOJJKCNJWJES-KRWDZBQOSA-N 0 0 431.792 4.423 20 0 IIADRN COc1cc(C(F)(F)N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)nc(Cl)n1 ZINC001164977417 722166285 /nfs/dbraw/zinc/16/62/85/722166285.db2.gz NLMGVFHSHUZODC-HNAYVOBHSA-N 0 0 431.911 4.018 20 0 IIADRN CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@H]3[C@H](C2)c2ccccc2[C@H]3OCC2CC2)n1 ZINC001164976929 722170320 /nfs/dbraw/zinc/17/03/20/722170320.db2.gz KXSCAGRVCAZDRA-FUHIMQAGSA-N 0 0 434.918 4.442 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5c4CCCCC5)CC[C@@H]32)cs1 ZINC001164989910 722180984 /nfs/dbraw/zinc/18/09/84/722180984.db2.gz MMJBLLLYRZXSKJ-VQTJNVASSA-N 0 0 448.036 4.034 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cc(Cl)ncc4F)CC[C@@H]32)cs1 ZINC001164985959 722181371 /nfs/dbraw/zinc/18/13/71/722181371.db2.gz CTLVBJUCYRBEPZ-IRXDYDNUSA-N 0 0 446.926 4.054 20 0 IIADRN COc1ccc2nc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)cc(C)c2c1 ZINC001164994579 722181817 /nfs/dbraw/zinc/18/18/17/722181817.db2.gz ZJWNXAWLMNEYPE-XZOQPEGZSA-N 0 0 438.597 4.187 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4ccc(C)c(Cl)n4)CC[C@@H]32)cs1 ZINC001164994113 722182548 /nfs/dbraw/zinc/18/25/48/722182548.db2.gz YAQJDJXCWSJKMR-IRXDYDNUSA-N 0 0 442.963 4.223 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)c(Cl)cc4Cl)CC[C@H]32)cs1 ZINC001164990132 722184641 /nfs/dbraw/zinc/18/46/41/722184641.db2.gz QPAZSZQBNFDOHN-MSOLQXFVSA-N 0 0 427.401 4.332 20 0 IIADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)nc1)CC2 ZINC001164999461 722221133 /nfs/dbraw/zinc/22/11/33/722221133.db2.gz RMAGLRXTOYZDCA-SFHVURJKSA-N 0 0 432.902 4.255 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)C2(c3ccc(Cl)nc3)CC2)n1 ZINC001164999001 722227440 /nfs/dbraw/zinc/22/74/40/722227440.db2.gz GPWZYXYAZVCNNU-INIZCTEOSA-N 0 0 437.922 4.069 20 0 IIADRN CC(C)CN1c2ccccc2[C@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)CC[C@H]21 ZINC001165004035 722245701 /nfs/dbraw/zinc/24/57/01/722245701.db2.gz MNCBABUOFNAUPF-GDBMZVCRSA-N 0 0 432.906 4.341 20 0 IIADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1cc(Cl)ncc1Cl)CCO2 ZINC001165001131 722248448 /nfs/dbraw/zinc/24/84/48/722248448.db2.gz MQAWCFREYVYYJF-SFHVURJKSA-N 0 0 446.281 4.038 20 0 IIADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1ccc(Cl)nc1Cl)CCO2 ZINC001164999839 722248517 /nfs/dbraw/zinc/24/85/17/722248517.db2.gz CZZGQNPUQCOWMZ-SFHVURJKSA-N 0 0 446.281 4.038 20 0 IIADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164999768 722248682 /nfs/dbraw/zinc/24/86/82/722248682.db2.gz BUPCMHMPGDQFBY-UHFFFAOYSA-N 0 0 445.857 4.355 20 0 IIADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)c2cccc(Cl)n2)CC3)cs1 ZINC001165006380 722272264 /nfs/dbraw/zinc/27/22/64/722272264.db2.gz NXXRTFXCLZCLMW-OAHLLOKOSA-N 0 0 429.920 4.390 20 0 IIADRN C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C(=O)[O-])c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576636 939137058 /nfs/dbraw/zinc/13/70/58/939137058.db2.gz BTKJTQWZKAXGTR-IHPCNDPISA-N 0 0 449.473 4.213 20 0 IIADRN O=C([O-])[C@@]1(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC001123372266 939822328 /nfs/dbraw/zinc/82/23/28/939822328.db2.gz KIRUMNKKCGKEDR-ZRCGQRJVSA-N 0 0 447.362 4.333 20 0 IIADRN COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c2)cc1 ZINC000426648108 1126081063 /nfs/dbraw/zinc/08/10/63/1126081063.db2.gz RLFUINUGWXATHL-DEOSSOPVSA-N 0 0 443.503 4.214 20 0 IIADRN COc1ccc(Br)c(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])c1 ZINC000426714052 1126081456 /nfs/dbraw/zinc/08/14/56/1126081456.db2.gz BJRLCYQHUSVKFL-MRXNPFEDSA-N 0 0 443.135 4.006 20 0 IIADRN COc1c(Br)cc(Br)cc1C[NH2+][C@H](Cc1ccccc1)C(=O)[O-] ZINC000426691574 1126081508 /nfs/dbraw/zinc/08/15/08/1126081508.db2.gz JETAXMHZXGAHJQ-OAHLLOKOSA-N 0 0 443.135 4.006 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000426717858 1126081748 /nfs/dbraw/zinc/08/17/48/1126081748.db2.gz SLPKGXOMMCASDA-QGZVFWFLSA-N 0 0 435.318 4.497 20 0 IIADRN COc1ccc(C[NH2+][C@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1OCc1cccnc1 ZINC000426719447 1126082050 /nfs/dbraw/zinc/08/20/50/1126082050.db2.gz GRIBIHMARAZCQL-HXUWFJFHSA-N 0 0 426.900 4.108 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000426727983 1126083538 /nfs/dbraw/zinc/08/35/38/1126083538.db2.gz RVDNJZWPVSSZHM-AWEZNQCLSA-N 0 0 434.664 4.489 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000426729290 1126083882 /nfs/dbraw/zinc/08/38/82/1126083882.db2.gz BMIVGTQXGZUIET-MRXNPFEDSA-N 0 0 429.822 4.306 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1ncc(Br)cc1Br ZINC000426732098 1126084249 /nfs/dbraw/zinc/08/42/49/1126084249.db2.gz RMAKJSPTGUDASG-CYBMUJFWSA-N 0 0 448.542 4.046 20 0 IIADRN O=C([O-])[C@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000426735213 1126084728 /nfs/dbraw/zinc/08/47/28/1126084728.db2.gz DMDSIFMGYXZHSB-FQEVSTJZSA-N 0 0 438.940 4.435 20 0 IIADRN Cc1cc(C)cc(-c2ccc(C[NH2+][C@@H](Cc3cn(-c4ccccc4)nn3)C(=O)[O-])cc2)c1 ZINC000426734831 1126084831 /nfs/dbraw/zinc/08/48/31/1126084831.db2.gz RGVOREWOLHCACS-VWLOTQADSA-N 0 0 426.520 4.337 20 0 IIADRN COc1ccc(C[NH2+][C@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])c(OC)c1 ZINC000426737478 1126085204 /nfs/dbraw/zinc/08/52/04/1126085204.db2.gz OJOCCGDSXHUAPC-GOSISDBHSA-N 0 0 432.929 4.266 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000426756597 1126088226 /nfs/dbraw/zinc/08/82/26/1126088226.db2.gz LGVWLYDFIOEQIU-SFHVURJKSA-N 0 0 430.277 4.336 20 0 IIADRN Cc1ccc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])c(Br)c1 ZINC000426760229 1126088543 /nfs/dbraw/zinc/08/85/43/1126088543.db2.gz ZEXVDHXZJPURQH-INIZCTEOSA-N 0 0 427.136 4.306 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(Br)cc1F ZINC000426762280 1126088821 /nfs/dbraw/zinc/08/88/21/1126088821.db2.gz IWLCNCIMPOXAJF-OAHLLOKOSA-N 0 0 431.099 4.136 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000426767597 1126089221 /nfs/dbraw/zinc/08/92/21/1126089221.db2.gz OMGIEXDLFUZRJK-LJQANCHMSA-N 0 0 446.404 4.297 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000426774590 1126089941 /nfs/dbraw/zinc/08/99/41/1126089941.db2.gz VNXSTVFVEYYYOW-CQSZACIVSA-N 0 0 435.320 4.238 20 0 IIADRN COc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])cc1Cl ZINC000426799850 1126091159 /nfs/dbraw/zinc/09/11/59/1126091159.db2.gz JNFDRQYBKXKPPL-KRWDZBQOSA-N 0 0 437.721 4.378 20 0 IIADRN CC(C)(C)c1ncc(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])s1 ZINC000426789185 1126090605 /nfs/dbraw/zinc/09/06/05/1126090605.db2.gz SJXKTYVSQLKASI-MRXNPFEDSA-N 0 0 436.375 4.470 20 0 IIADRN COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](Cc3cccc(Cl)c3)C(=O)[O-])c2)cc1 ZINC000426742792 1126085832 /nfs/dbraw/zinc/08/58/32/1126085832.db2.gz KYVSGCKQCQJODD-JOCHJYFZSA-N 0 0 438.911 4.386 20 0 IIADRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000426751592 1126087278 /nfs/dbraw/zinc/08/72/78/1126087278.db2.gz WUKIRRZSIWXBKM-AWEZNQCLSA-N 0 0 447.335 4.424 20 0 IIADRN Cc1cc(C)cc(C[C@@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C(=O)[O-])c1 ZINC000426809439 1126091671 /nfs/dbraw/zinc/09/16/71/1126091671.db2.gz DIMDGHRQUHPEGB-OAQYLSRUSA-N 0 0 431.458 4.353 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000426816309 1126092393 /nfs/dbraw/zinc/09/23/93/1126092393.db2.gz OFYGOVXNXQZNFH-IBGZPJMESA-N 0 0 442.288 4.403 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000426816599 1126092451 /nfs/dbraw/zinc/09/24/51/1126092451.db2.gz PUECNZLOJIETQW-OAQYLSRUSA-N 0 0 437.446 4.412 20 0 IIADRN CC1(C)Cc2cc(C[NH2+][C@@H](Cc3c[nH]c4cccc(Br)c34)C(=O)[O-])ccc2O1 ZINC000756380703 1126108080 /nfs/dbraw/zinc/10/80/80/1126108080.db2.gz FWYPTBAHKOVALQ-SFHVURJKSA-N 0 0 443.341 4.429 20 0 IIADRN CCOC(=O)c1c(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)occ1C(F)(F)F ZINC001460687217 1126191467 /nfs/dbraw/zinc/19/14/67/1126191467.db2.gz DHPWQUHVMZAZQS-CZUORRHYSA-N 0 0 439.352 4.099 20 0 IIADRN O[C@H]([C@@H](Cc1ccccc1)NCc1nc2cc(Br)ccc2o1)C(F)(F)F ZINC001620534678 1126240522 /nfs/dbraw/zinc/24/05/22/1126240522.db2.gz SLRWVKZWPKKVSL-RHSMWYFYSA-N 0 0 429.236 4.214 20 0 IIADRN O[C@@H]([C@@H](Cc1ccccc1)NCc1nc2cc(Br)ccc2o1)C(F)(F)F ZINC001620534677 1126240659 /nfs/dbraw/zinc/24/06/59/1126240659.db2.gz SLRWVKZWPKKVSL-PBHICJAKSA-N 0 0 429.236 4.214 20 0 IIADRN Nc1c(Br)cc(Br)cc1CNCc1ccc2c(n1)CCCC2 ZINC000446909289 370693719 /nfs/dbraw/zinc/69/37/19/370693719.db2.gz XFLOLSRTGNJJGR-UHFFFAOYSA-N 0 0 425.168 4.357 20 0 IIADRN Cc1cccc(-n2c3nnc(SCCc4ccncc4)n3c3ccccc3c2=O)c1C ZINC000012609128 524139810 /nfs/dbraw/zinc/13/98/10/524139810.db2.gz URLVFRUXRWPCRH-UHFFFAOYSA-N 0 0 427.533 4.380 20 0 IIADRN CCOc1cc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(Br)c1OC ZINC000040721622 556647602 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ZINC001164784699 721426767 /nfs/dbraw/zinc/42/67/67/721426767.db2.gz LRBOXTSZACVZRI-NHCUHLMSSA-N 0 0 444.608 4.121 20 0 IIADRN Fc1ccc(Oc2nc(Cl)ncc2N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)cc1 ZINC001164789685 721427910 /nfs/dbraw/zinc/42/79/10/721427910.db2.gz WCTQTRDVTLVJRJ-OKILXGFUSA-N 0 0 431.924 4.086 20 0 IIADRN Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164784215 721436933 /nfs/dbraw/zinc/43/69/33/721436933.db2.gz KVIGBYPMQFSHAM-IYBDPMFKSA-N 0 0 427.961 4.255 20 0 IIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)CC[C@@H]21 ZINC001164894776 721464561 /nfs/dbraw/zinc/46/45/61/721464561.db2.gz YNYRKXXJGJXDCX-IRXDYDNUSA-N 0 0 434.918 4.425 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)CC[C@@H]21 ZINC001164892454 721466813 /nfs/dbraw/zinc/46/68/13/721466813.db2.gz QNTQBKJYJNKGIR-GTCCEBARSA-N 0 0 432.927 4.008 20 0 IIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC[C@@H]21 ZINC001164894680 721467156 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COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3CCC[C@]3(COc3ccccn3)C2)c1 ZINC001164795299 721506599 /nfs/dbraw/zinc/50/65/99/721506599.db2.gz KIWPUMOTCBQCJH-MGPUTAFESA-N 0 0 437.874 4.147 20 0 IIADRN O=C1CCC2(CCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)CC2)N1Cc1ccncc1 ZINC001164902059 721506941 /nfs/dbraw/zinc/50/69/41/721506941.db2.gz YWCFWMUMUVHAJG-UHFFFAOYSA-N 0 0 446.929 4.412 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2c[nH]c3nc(Cl)ccc23)[C@@H]2CCCO[C@H]12 ZINC001164804668 721555053 /nfs/dbraw/zinc/55/50/53/721555053.db2.gz LTDOLDWBQDZBQL-GGPKGHCWSA-N 0 0 447.917 4.024 20 0 IIADRN Cc1cc2nc(Cl)c(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2cc1C ZINC001164804657 721565873 /nfs/dbraw/zinc/56/58/73/721565873.db2.gz LHVPAGSBVZLPFK-FDFHNCONSA-N 0 0 437.975 4.163 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cccc(F)c32)[C@H]2CCCO[C@@H]12 ZINC001164810880 721591559 /nfs/dbraw/zinc/59/15/59/721591559.db2.gz WONNLJWQLPCTLS-NNMXDRDESA-N 0 0 426.923 4.291 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164797475 721600096 /nfs/dbraw/zinc/60/00/96/721600096.db2.gz BAKMOZIINOZCCB-UHFFFAOYSA-N 0 0 445.901 4.485 20 0 IIADRN COc1cc(C(F)(F)N2C[C@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)nc(Cl)n1 ZINC001164805014 721601918 /nfs/dbraw/zinc/60/19/18/721601918.db2.gz ZKJKPEBVRHEAQZ-UZLBHIALSA-N 0 0 438.906 4.210 20 0 IIADRN COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2CCC[C@@]2(COCc2cncc(C)c2)C1 ZINC001164803434 721601930 /nfs/dbraw/zinc/60/19/30/721601930.db2.gz UOWXMFXGUIWWHR-JXFKEZNVSA-N 0 0 438.906 4.210 20 0 IIADRN Cc1ccc(Oc2nc(Cl)ncc2N2CCCn3c(CN(C)C(C)C)nnc3C2)cc1 ZINC001165012035 721720658 /nfs/dbraw/zinc/72/06/58/721720658.db2.gz ZFUCLIGVALBZQX-UHFFFAOYSA-N 0 0 441.967 4.073 20 0 IIADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@]4(CCCN4C(=O)C(C)C)C3)c2c1C ZINC001165009485 721726437 /nfs/dbraw/zinc/72/64/37/721726437.db2.gz XGKSUVMFSMAZMM-XMMPIXPASA-N 0 0 441.645 4.131 20 0 IIADRN COc1ccc2nc(C(F)(F)N3CC[C@@]4(CCCN4C(=O)C(C)C)C3)nc(Cl)c2c1 ZINC001165007629 721727408 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ZINC001164917229 721809751 /nfs/dbraw/zinc/80/97/51/721809751.db2.gz LSZVJFYCCGTLLR-PZSREKOKSA-N 0 0 433.883 4.076 20 0 IIADRN Fc1cnc(Cl)cc1C(F)(F)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164917225 721809854 /nfs/dbraw/zinc/80/98/54/721809854.db2.gz LSZVJFYCCGTLLR-HYSWKAIVSA-N 0 0 433.883 4.076 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164919523 721810220 /nfs/dbraw/zinc/81/02/20/721810220.db2.gz ZBTWIYBNOROZQD-DDUZABMNSA-N 0 0 429.920 4.245 20 0 IIADRN COc1ccc2c(Cl)cc(Cl)nc2c1N1CCC2(CC1)c1ncc(C)n1CCN2C ZINC001164918279 721817510 /nfs/dbraw/zinc/81/75/10/721817510.db2.gz LOZVPAZTHXIELY-UHFFFAOYSA-N 0 0 446.382 4.496 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(c2cc(F)ccc2Oc2ccc(Cl)nn2)CC1 ZINC001164917272 721818862 /nfs/dbraw/zinc/81/88/62/721818862.db2.gz FVIHALGWMNWWAT-UHFFFAOYSA-N 0 0 442.926 4.007 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(c2nnc(Cc3ccccc3)c3ccccc32)CC1 ZINC001164917149 721818880 /nfs/dbraw/zinc/81/88/80/721818880.db2.gz 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O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC[C@H]12)NC1CCC1 ZINC001164929873 721898031 /nfs/dbraw/zinc/89/80/31/721898031.db2.gz ALVZBQXRFRPBGV-FNHZYXHNSA-N 0 0 439.934 4.057 20 0 IIADRN FC(F)(Oc1cccc(Cl)n1)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164926990 721898587 /nfs/dbraw/zinc/89/85/87/721898587.db2.gz DYBPAGZNNYVYLA-OAQYLSRUSA-N 0 0 444.869 4.295 20 0 IIADRN FC(F)(Oc1cccc(Cl)n1)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164926986 721898640 /nfs/dbraw/zinc/89/86/40/721898640.db2.gz DYBPAGZNNYVYLA-NRFANRHFSA-N 0 0 444.869 4.295 20 0 IIADRN FC(F)(Oc1ccnc(Cl)c1)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164928809 721899129 /nfs/dbraw/zinc/89/91/29/721899129.db2.gz PSNRDPUVYUVQEO-NRFANRHFSA-N 0 0 444.869 4.295 20 0 IIADRN Cn1ccc(CN2CCOCC23CCN(c2ccc4c(Cl)ccc(Cl)c4n2)CC3)n1 ZINC001164936658 721909610 /nfs/dbraw/zinc/90/96/10/721909610.db2.gz ZBJOGEUIHRLMRF-UHFFFAOYSA-N 0 0 446.382 4.147 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C[C@H]21 ZINC001164943407 721943639 /nfs/dbraw/zinc/94/36/39/721943639.db2.gz OEGUJFHGSHUMIZ-UXHICEINSA-N 0 0 448.901 4.128 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C[C@H]21 ZINC001164943409 721943645 /nfs/dbraw/zinc/94/36/45/721943645.db2.gz OEGUJFHGSHUMIZ-WOJBJXKFSA-N 0 0 448.901 4.128 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@H]21 ZINC001164948066 721951982 /nfs/dbraw/zinc/95/19/82/721951982.db2.gz RIXDFNBYUOVWOI-WOJBJXKFSA-N 0 0 448.901 4.128 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4ccsc4)nc4ccccc43)C[C@@H]21 ZINC001164947259 721957243 /nfs/dbraw/zinc/95/72/43/721957243.db2.gz PIHOGMUKVUASHV-FCHUYYIVSA-N 0 0 447.564 4.053 20 0 IIADRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CCC3(C2)OCCO3)c(Cl)nn1 ZINC001165049325 721986083 /nfs/dbraw/zinc/98/60/83/721986083.db2.gz XNCCPWCXWAEZHJ-UHFFFAOYSA-N 0 0 435.780 4.314 20 0 IIADRN COC[C@@]12COC[C@@H]1CN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)C2 ZINC001164953354 721993333 /nfs/dbraw/zinc/99/33/33/721993333.db2.gz RRUKIOGJZFEBFA-FVMDXXJSSA-N 0 0 438.689 4.234 20 0 IIADRN FC(F)(F)c1nnc(N2CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)CC2)s1 ZINC001165053010 721999524 /nfs/dbraw/zinc/99/95/24/721999524.db2.gz ZEWBYNZFEADTMQ-UHFFFAOYSA-N 0 0 439.841 4.052 20 0 IIADRN COc1ccc(C(F)(F)N2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)nc1Cl ZINC001164951072 722004213 /nfs/dbraw/zinc/00/42/13/722004213.db2.gz GOYQPGNLROXFGK-CABCVRRESA-N 0 0 430.886 4.465 20 0 IIADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3c4c(nnc3Cl)CCC4)C[C@@H]21 ZINC001164951223 722005158 /nfs/dbraw/zinc/00/51/58/722005158.db2.gz HLCXBNPEKBJRBX-GOEBONIOSA-N 0 0 441.913 4.340 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001164963392 722028020 /nfs/dbraw/zinc/02/80/20/722028020.db2.gz SRWKSZDFFNMIMT-ZNMIVQPWSA-N 0 0 434.245 4.283 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001164957460 722029275 /nfs/dbraw/zinc/02/92/75/722029275.db2.gz MBFOSUFWGJTUKV-CPUCHLNUSA-N 0 0 438.837 4.111 20 0 IIADRN O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)C2 ZINC001164961472 722034910 /nfs/dbraw/zinc/03/49/10/722034910.db2.gz VVHSHEHHLDCIIU-KNQAVFIVSA-N 0 0 442.897 4.361 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C[C@@H]21 ZINC001164960409 722048356 /nfs/dbraw/zinc/04/83/56/722048356.db2.gz VYSQJTOERUKDLU-QAPCUYQASA-N 0 0 444.869 4.286 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C[C@H]21 ZINC001164956685 722048419 /nfs/dbraw/zinc/04/84/19/722048419.db2.gz CMRDLJXXBLKVPU-MAUKXSAKSA-N 0 0 444.869 4.286 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C[C@H]21 ZINC001164960405 722048499 /nfs/dbraw/zinc/04/84/99/722048499.db2.gz VYSQJTOERUKDLU-CRAIPNDOSA-N 0 0 444.869 4.286 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C[C@@H]21 ZINC001164956689 722048549 /nfs/dbraw/zinc/04/85/49/722048549.db2.gz CMRDLJXXBLKVPU-YJBOKZPZSA-N 0 0 444.869 4.286 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]21 ZINC001164961439 722048557 /nfs/dbraw/zinc/04/85/57/722048557.db2.gz ZMYJATCRUXFHHE-QAPCUYQASA-N 0 0 444.869 4.286 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)C[C@@H]21 ZINC001164959633 722049519 /nfs/dbraw/zinc/04/95/19/722049519.db2.gz QTMHXVODPGCHAW-KSSFIOAISA-N 0 0 435.902 4.493 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)C[C@H]21 ZINC001164959634 722049585 /nfs/dbraw/zinc/04/95/85/722049585.db2.gz QTMHXVODPGCHAW-RDTXWAMCSA-N 0 0 435.902 4.493 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2nc(C)cc(Cl)n2)[C@H]3C)c1 ZINC001164963770 722062788 /nfs/dbraw/zinc/06/27/88/722062788.db2.gz DBKRQJJUGNQBCJ-HNNXBMFYSA-N 0 0 448.905 4.181 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc(C)nnc2Cl)[C@H]3C)c1 ZINC001164966135 722063324 /nfs/dbraw/zinc/06/33/24/722063324.db2.gz ONZQZYZEOQXZJI-HNNXBMFYSA-N 0 0 448.905 4.181 20 0 IIADRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccc2ccnc(Cl)c2c1 ZINC001164966644 722064456 /nfs/dbraw/zinc/06/44/56/722064456.db2.gz WKTWEJMVJGXSIU-DLBZAZTESA-N 0 0 434.899 4.383 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164970368 722082835 /nfs/dbraw/zinc/08/28/35/722082835.db2.gz WYZJQUUEGDJWPW-UHFFFAOYSA-N 0 0 427.238 4.458 20 0 IIADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164968413 722083040 /nfs/dbraw/zinc/08/30/40/722083040.db2.gz CHGNXAJXEYPGFH-UHFFFAOYSA-N 0 0 443.841 4.353 20 0 IIADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C[C@H]2C1 ZINC001164974305 722085747 /nfs/dbraw/zinc/08/57/47/722085747.db2.gz QEGPMEKAOZFQDP-BJWYYQGGSA-N 0 0 446.929 4.473 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)C[C@@H]21 ZINC001164984842 722097155 /nfs/dbraw/zinc/09/71/55/722097155.db2.gz XKBWROGIMCVHQC-QWQRMKEZSA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C[C@H]21 ZINC001164982337 722098326 /nfs/dbraw/zinc/09/83/26/722098326.db2.gz NOMOBUVUSLVOSU-QWFCFKBJSA-N 0 0 446.929 4.401 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C[C@@H]21 ZINC001164982333 722098330 /nfs/dbraw/zinc/09/83/30/722098330.db2.gz NOMOBUVUSLVOSU-CMKODMSKSA-N 0 0 446.929 4.401 20 0 IIADRN O=C1CC2(CCN(C(F)(F)c3cncc(Cl)n3)CC2)c2ccccc2N1CC1CC1 ZINC001164973812 722161019 /nfs/dbraw/zinc/16/10/19/722161019.db2.gz MFOQQQHNHJKGEV-UHFFFAOYSA-N 0 0 432.902 4.360 20 0 IIADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C2)C1=O ZINC001164979465 722161861 /nfs/dbraw/zinc/16/18/61/722161861.db2.gz KTFKCKOUWZNIIK-FQEVSTJZSA-N 0 0 432.833 4.092 20 0 IIADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C2)C1=O ZINC001164981911 722162794 /nfs/dbraw/zinc/16/27/94/722162794.db2.gz TUNOJJKCNJWJES-QGZVFWFLSA-N 0 0 431.792 4.423 20 0 IIADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C2)C1=O ZINC001164983259 722162820 /nfs/dbraw/zinc/16/28/20/722162820.db2.gz ZXETVPSZUYPNBJ-JOCHJYFZSA-N 0 0 440.881 4.466 20 0 IIADRN FC(F)(c1c2c(nnc1Cl)CCC2)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164976963 722165814 /nfs/dbraw/zinc/16/58/14/722165814.db2.gz LTDANOFMVANLTO-IIBYNOLFSA-N 0 0 441.950 4.498 20 0 IIADRN CN(C)c1cc(C(F)(F)N2CCC[C@]3(C[C@H](OCC4CCCC4)CO3)C2)nc(Cl)n1 ZINC001164979009 722166282 /nfs/dbraw/zinc/16/62/82/722166282.db2.gz SWUVMJHGELXQIE-JXFKEZNVSA-N 0 0 444.954 4.076 20 0 IIADRN CN(C)c1cc(C(F)(F)N2C[C@@H]3[C@@H](OCC4CC4)c4ccccc4[C@H]3C2)nc(Cl)n1 ZINC001164978676 722171621 /nfs/dbraw/zinc/17/16/21/722171621.db2.gz ROUCUYFLBILOND-UWVAXJGDSA-N 0 0 434.918 4.442 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4ccnc(Cl)c4F)CC[C@H]32)cs1 ZINC001164982955 722175383 /nfs/dbraw/zinc/17/53/83/722175383.db2.gz AHQWEJPXCOXEDM-CVEARBPZSA-N 0 0 446.926 4.054 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5c(C)cccc54)CC[C@H]32)cs1 ZINC001164991932 722179334 /nfs/dbraw/zinc/17/93/34/722179334.db2.gz ZFEANLYWZBHVNI-RTBURBONSA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4c(Cl)ncc(Cl)c4C)CC[C@@H]32)cs1 ZINC001164985660 722184577 /nfs/dbraw/zinc/18/45/77/722184577.db2.gz BNFYGATUICMQAD-IRXDYDNUSA-N 0 0 427.401 4.332 20 0 IIADRN Cc1c[nH]c2nc(Cl)cc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)c12 ZINC001164992333 722184824 /nfs/dbraw/zinc/18/48/24/722184824.db2.gz VVWYETRITAFRHH-FUHWJXTLSA-N 0 0 431.993 4.159 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5ccc(C(C)C)cc54)CC[C@@H]32)cs1 ZINC001164989079 722185333 /nfs/dbraw/zinc/18/53/33/722185333.db2.gz OEIMFQSQHNRPIB-XZOQPEGZSA-N 0 0 437.613 4.388 20 0 IIADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164993440 722187458 /nfs/dbraw/zinc/18/74/58/722187458.db2.gz ZQWDZUWZQLWHDV-AWEZNQCLSA-N 0 0 436.330 4.035 20 0 IIADRN CCc1ccc(-c2ccc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@@H]4CC3)nn2)cc1 ZINC001164991798 722185711 /nfs/dbraw/zinc/18/57/11/722185711.db2.gz UVPLCATWMXXXFY-DNQXCXABSA-N 0 0 449.624 4.341 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nnc(Cl)c5ccc(F)cc54)CC[C@@H]32)cs1 ZINC001164991382 722185967 /nfs/dbraw/zinc/18/59/67/722185967.db2.gz UCOAGIDDWLWREU-RBUKOAKNSA-N 0 0 447.967 4.057 20 0 IIADRN CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)n1 ZINC001164989524 722186816 /nfs/dbraw/zinc/18/68/16/722186816.db2.gz OUWCZMYMVTXLBF-CWFSZBLJSA-N 0 0 440.617 4.106 20 0 IIADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164987724 722187568 /nfs/dbraw/zinc/18/75/68/722187568.db2.gz ATILCCMELTXUJZ-ZDUSSCGKSA-N 0 0 436.330 4.035 20 0 IIADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3cnnc(Cl)c3)CC2)c2ccccc21 ZINC001164997937 722220675 /nfs/dbraw/zinc/22/06/75/722220675.db2.gz DZXQNWIICSACJB-UHFFFAOYSA-N 0 0 444.913 4.136 20 0 IIADRN Nc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@@H]2c1ccccc1 ZINC001164999026 722221433 /nfs/dbraw/zinc/22/14/33/722221433.db2.gz NWCISXYLWABQIE-HXUWFJFHSA-N 0 0 446.929 4.442 20 0 IIADRN Nc1cc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)cnc1Cl ZINC001164999933 722221573 /nfs/dbraw/zinc/22/15/73/722221573.db2.gz UGFBPGRIPAYYIW-LJQANCHMSA-N 0 0 446.929 4.442 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2ccc3ncnc(Cl)c3c2)n1 ZINC001164999365 722226440 /nfs/dbraw/zinc/22/64/40/722226440.db2.gz LREILTDBHCWMEH-KRWDZBQOSA-N 0 0 448.905 4.042 20 0 IIADRN O=C([O-])[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000426739882 1126085418 /nfs/dbraw/zinc/08/54/18/1126085418.db2.gz FHMHZVXXOBSFRK-HNNXBMFYSA-N 0 0 431.099 4.136 20 0 IIADRN COc1ccc(OCc2nc(C[NH2+][C@H](Cc3cccc(Cl)c3)C(=O)[O-])cs2)cc1 ZINC000426740247 1126085431 /nfs/dbraw/zinc/08/54/31/1126085431.db2.gz AJHKCRHSLKFLTF-LJQANCHMSA-N 0 0 432.929 4.170 20 0 IIADRN COc1cc(Br)c(C[NH2+][C@H](Cc2c(F)cccc2Cl)C(=O)[O-])cc1OC ZINC000426723683 1126082707 /nfs/dbraw/zinc/08/27/07/1126082707.db2.gz ZVRYEDXSSFMPGK-OAHLLOKOSA-N 0 0 446.700 4.044 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000426727984 1126083557 /nfs/dbraw/zinc/08/35/57/1126083557.db2.gz RVDNJZWPVSSZHM-CQSZACIVSA-N 0 0 434.664 4.489 20 0 IIADRN O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000426733207 1126084472 /nfs/dbraw/zinc/08/44/72/1126084472.db2.gz LSIFLIZJLIVSCQ-XMMPIXPASA-N 0 0 434.540 4.012 20 0 IIADRN O=C([O-])[C@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000426735874 1126084855 /nfs/dbraw/zinc/08/48/55/1126084855.db2.gz HEPJWXKLGWGTFV-FQEVSTJZSA-N 0 0 438.940 4.435 20 0 IIADRN Cc1nc(COc2ccc(C[NH2+][C@@H](Cc3cc(Cl)cc(Cl)c3)C(=O)[O-])cc2)no1 ZINC000426737651 1126085199 /nfs/dbraw/zinc/08/51/99/1126085199.db2.gz OYJQJECAPOOHRB-SFHVURJKSA-N 0 0 436.295 4.049 20 0 IIADRN CC1(C)Cc2cccc(C[NH2+][C@@H](Cc3c[nH]c4ccc(Br)cc34)C(=O)[O-])c2O1 ZINC000426787180 1126090558 /nfs/dbraw/zinc/09/05/58/1126090558.db2.gz BOIWNVSCURAMNE-IBGZPJMESA-N 0 0 443.341 4.429 20 0 IIADRN COc1cc(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])ccc1SC ZINC000426754800 1126087670 /nfs/dbraw/zinc/08/76/70/1126087670.db2.gz UFJOUVDGPFGEJC-MRXNPFEDSA-N 0 0 449.370 4.446 20 0 IIADRN COc1cc(C[NH2+][C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])ccc1SC ZINC000426754799 1126087723 /nfs/dbraw/zinc/08/77/23/1126087723.db2.gz UFJOUVDGPFGEJC-INIZCTEOSA-N 0 0 449.370 4.446 20 0 IIADRN COc1ccc2oc(C[NH2+][C@H](Cc3c[nH]c4ccc(Br)cc34)C(=O)[O-])cc2c1 ZINC000426803200 1126091323 /nfs/dbraw/zinc/09/13/23/1126091323.db2.gz LCDYBUQIPAOBIH-LJQANCHMSA-N 0 0 443.297 4.471 20 0 IIADRN COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](Cc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000426821779 1126092822 /nfs/dbraw/zinc/09/28/22/1126092822.db2.gz WPKLMZRWPBRFRO-HXUWFJFHSA-N 0 0 428.435 4.144 20 0 IIADRN O=C([O-])[C@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000567326485 1126097631 /nfs/dbraw/zinc/09/76/31/1126097631.db2.gz PORJGNXYAQYGAN-FQEVSTJZSA-N 0 0 438.940 4.435 20 0 IIADRN CC(=O)N(c1nc(CN[C@@H](CO)Cc2ccc(C)cc2)cs1)c1cccc(Cl)c1 ZINC001621255896 1126246320 /nfs/dbraw/zinc/24/63/20/1126246320.db2.gz WJVSSWKYUAEKCF-LJQANCHMSA-N 0 0 429.973 4.483 20 0 IIADRN CC(=O)N(c1nc(CN[C@](C)(CO)Cc2ccccc2F)cs1)c1ccc(F)cc1F ZINC001621463356 1126246561 /nfs/dbraw/zinc/24/65/61/1126246561.db2.gz WFOJQVDZFRFHJP-QFIPXVFZSA-N 0 0 449.498 4.328 20 0 IIADRN COc1ccc(C(=O)Nc2ccc(I)cc2)cc1Br ZINC000012579346 523752015 /nfs/dbraw/zinc/75/20/15/523752015.db2.gz QAZNGSKBIDJVNV-UHFFFAOYSA-N 0 0 432.055 4.315 20 0 IIADRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000011211334 562978794 /nfs/dbraw/zinc/97/87/94/562978794.db2.gz LMBZWFHFLSOXMY-NRFANRHFSA-N 0 0 436.512 4.034 20 0 IIADRN CC(=O)c1c(C)[nH]c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C ZINC000012935496 562983472 /nfs/dbraw/zinc/98/34/72/562983472.db2.gz KCMSIWBQIFPNJP-UHFFFAOYSA-N 0 0 429.826 4.217 20 0 IIADRN O=C(NC(=S)Nc1ccc(Oc2ncc(Br)cn2)cc1)c1ccccc1 ZINC000028572700 563059668 /nfs/dbraw/zinc/05/96/68/563059668.db2.gz CGTCVKXMRKPBPZ-UHFFFAOYSA-N 0 0 429.299 4.158 20 0 IIADRN Cc1cc(C)c(S(=O)(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)c(C)c1 ZINC000016602386 569586859 /nfs/dbraw/zinc/58/68/59/569586859.db2.gz PQUWKQVJOLLNLU-UHFFFAOYSA-N 0 0 429.517 4.369 20 0 IIADRN COC(=O)[C@@]1(C)CCCN1C(F)(F)c1cnc(Cl)nc1-c1cn(C)c2ccccc12 ZINC001164392074 718804992 /nfs/dbraw/zinc/80/49/92/718804992.db2.gz XPNWLWNRPQDIAE-HXUWFJFHSA-N 0 0 434.874 4.366 20 0 IIADRN OCC[C@H]1CC12CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164392372 718811653 /nfs/dbraw/zinc/81/16/53/718811653.db2.gz MCOHERZPQDQWMT-KRWDZBQOSA-N 0 0 426.630 4.155 20 0 IIADRN FC(F)(c1cccnc1Cl)N1CCO[C@@H](c2ncn3c2cccc3Br)C1 ZINC001164421766 718889432 /nfs/dbraw/zinc/88/94/32/718889432.db2.gz XYSIWBYXJQJGLV-CYBMUJFWSA-N 0 0 443.679 4.268 20 0 IIADRN F[C@H](c1ccnc(Cl)c1)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164416219 718890105 /nfs/dbraw/zinc/89/01/05/718890105.db2.gz CCJXMPJWFRYUTD-GUYCJALGSA-N 0 0 425.689 4.187 20 0 IIADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)C2 ZINC001164434812 718976371 /nfs/dbraw/zinc/97/63/71/718976371.db2.gz VUGFAPDDGADEPJ-KBXCAEBGSA-N 0 0 446.281 4.030 20 0 IIADRN CCOC(=O)[C@@]12C[C@@H]1CCN2c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001164623978 719041507 /nfs/dbraw/zinc/04/15/07/719041507.db2.gz NNBYMCWBNXXDKB-UPCLLVRISA-N 0 0 440.613 4.088 20 0 IIADRN O=c1[nH]c2ccccc2n1C1CCN(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)CC1 ZINC001164620726 719128509 /nfs/dbraw/zinc/12/85/09/719128509.db2.gz JRLXUZGTISKBOG-UHFFFAOYSA-N 0 0 446.845 4.227 20 0 IIADRN O=c1[nH]c2ccccc2n1C1CCN(C(F)(F)c2cnc3c(Cl)ncnc3c2)CC1 ZINC001164622302 719128589 /nfs/dbraw/zinc/12/85/89/719128589.db2.gz OLFITJATILTOCP-UHFFFAOYSA-N 0 0 430.846 4.120 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4c5c(nnc4Cl)CCC5)C[C@H]3O2)n1 ZINC001164635747 719262375 /nfs/dbraw/zinc/26/23/75/719262375.db2.gz IEKDXADVZTXMNQ-JEBQAFNWSA-N 0 0 449.933 4.434 20 0 IIADRN CN(C)c1cc(C(F)(F)N2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)nc(Cl)n1 ZINC001164648515 719290823 /nfs/dbraw/zinc/29/08/23/719290823.db2.gz URSSCZZFKSNRJS-IACUBPJLSA-N 0 0 441.935 4.041 20 0 IIADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164650658 719291883 /nfs/dbraw/zinc/29/18/83/719291883.db2.gz ZOYHJAHDGLYAKS-BQFCYCMXSA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164646728 719293284 /nfs/dbraw/zinc/29/32/84/719293284.db2.gz PUTBTULAGAABHA-DYXWJJEUSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164648686 719293738 /nfs/dbraw/zinc/29/37/38/719293738.db2.gz WCRWLZNZGMXAKL-UFYCRDLUSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164656908 719295531 /nfs/dbraw/zinc/29/55/31/719295531.db2.gz ZFZGJHQPJZXOFL-VKJFTORMSA-N 0 0 446.281 4.161 20 0 IIADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C[C@H]3O2)n1 ZINC001164655656 719298434 /nfs/dbraw/zinc/29/84/34/719298434.db2.gz UMJHCJVWGFIWCP-DDTOSNHZSA-N 0 0 439.825 4.015 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1cnc(Cl)nc1Oc1ccc(F)cc1)CC2 ZINC001164651972 719315547 /nfs/dbraw/zinc/31/55/47/719315547.db2.gz LDTLCRCNTDWTBG-UHFFFAOYSA-N 0 0 444.942 4.463 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1cccc3c(Cl)ncnc31)CC2 ZINC001164653587 719315665 /nfs/dbraw/zinc/31/56/65/719315665.db2.gz WXBLXPZDNJLMSV-UHFFFAOYSA-N 0 0 434.922 4.230 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1cc(-c3ccc(Cl)nn3)ccc1F)CC2 ZINC001164652898 719315983 /nfs/dbraw/zinc/31/59/83/719315983.db2.gz SVXUQRBOFQHEHX-UHFFFAOYSA-N 0 0 428.943 4.338 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)CC2 ZINC001164654919 719317600 /nfs/dbraw/zinc/31/76/00/719317600.db2.gz SUZIGWYVNXBDEX-UHFFFAOYSA-N 0 0 434.318 4.215 20 0 IIADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCC1CCCC1 ZINC001164659976 719343840 /nfs/dbraw/zinc/34/38/40/719343840.db2.gz HAHXRFVFGKCMOM-GLJUWKHASA-N 0 0 436.330 4.357 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1CCCC3)CC2 ZINC001164662980 719349335 /nfs/dbraw/zinc/34/93/35/719349335.db2.gz BQOPQWMVQWPHPW-UHFFFAOYSA-N 0 0 428.584 4.050 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)c(C)nc1Cl)CC2 ZINC001164660605 719350177 /nfs/dbraw/zinc/35/01/77/719350177.db2.gz VXOOYUIIYGOEQA-UHFFFAOYSA-N 0 0 436.991 4.442 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ccc1OC)CC2 ZINC001164658511 719351293 /nfs/dbraw/zinc/35/12/93/719351293.db2.gz HWPAZCRCTPPODK-UHFFFAOYSA-N 0 0 437.975 4.438 20 0 IIADRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)c1cc(-c3ccc(C)cc3)nnc1Cl)C2 ZINC001164663297 719362407 /nfs/dbraw/zinc/36/24/07/719362407.db2.gz JAOGVJPZXSSXFC-OAHLLOKOSA-N 0 0 448.905 4.012 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2ncnc4[nH]c5ccccc5c42)CC3)cc1 ZINC001164670232 719513304 /nfs/dbraw/zinc/51/33/04/719513304.db2.gz BUQKSRHEUFRRNN-UHFFFAOYSA-N 0 0 431.515 4.122 20 0 IIADRN COc1ccccc1-c1cc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)ncn1 ZINC001164671543 719522727 /nfs/dbraw/zinc/52/27/27/719522727.db2.gz FRVAEEKBNUVNRA-UHFFFAOYSA-N 0 0 448.542 4.163 20 0 IIADRN CCc1nc2sccc2c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1 ZINC001164679275 719528246 /nfs/dbraw/zinc/52/82/46/719528246.db2.gz WVHYAFJJZLPLNZ-UHFFFAOYSA-N 0 0 426.561 4.264 20 0 IIADRN O=C([C@@H]1C[C@@H]2OCC[C@H]2N(C(F)(F)c2cccc3c(Cl)nccc32)C1)N1CCCC1 ZINC001164679260 719540593 /nfs/dbraw/zinc/54/05/93/719540593.db2.gz WLBTUWVXMBNZBQ-ZMYBRWDISA-N 0 0 435.902 4.039 20 0 IIADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2ccc(F)c(Cl)n2)CC3)cs1 ZINC001164688095 719593363 /nfs/dbraw/zinc/59/33/63/719593363.db2.gz TWARFGFGVMQPNY-UHFFFAOYSA-N 0 0 444.910 4.346 20 0 IIADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cc(Cl)c(Cl)nc2Cl)N1Cc1cccnc1 ZINC001164693173 719772370 /nfs/dbraw/zinc/77/23/70/719772370.db2.gz YHAIFEVCUBPUCP-KBPBESRZSA-N 0 0 447.700 4.362 20 0 IIADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2ccc4ncc(Cl)nc4c2)CC3)cn1 ZINC001164696893 719825331 /nfs/dbraw/zinc/82/53/31/719825331.db2.gz LWFSQZYCEMMZHN-AWEZNQCLSA-N 0 0 433.890 4.105 20 0 IIADRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)Oc2ccc(Cl)nc2Cl)CC3)cn1 ZINC001164699573 719827160 /nfs/dbraw/zinc/82/71/60/719827160.db2.gz XKVDSBXZKPUPHW-GFCCVEGCSA-N 0 0 433.286 4.090 20 0 IIADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1cc(-c2ccccc2)c2ccccc2n1 ZINC001164707210 719866873 /nfs/dbraw/zinc/86/68/73/719866873.db2.gz RIIJGUPIYDVBQU-JIPXPUAJSA-N 0 0 445.563 4.135 20 0 IIADRN FC(F)(c1cc2ccccc2nc1Cl)N1CCOC[C@@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164809179 720049310 /nfs/dbraw/zinc/04/93/10/720049310.db2.gz ZDVLWUSFECXQTN-DYESRHJHSA-N 0 0 448.901 4.084 20 0 IIADRN CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1ccc2ccnc(Cl)c2c1 ZINC001164721848 720314176 /nfs/dbraw/zinc/31/41/76/720314176.db2.gz IBQYMFKILALEMT-LJQANCHMSA-N 0 0 447.917 4.450 20 0 IIADRN CSc1ccc(C(F)(F)N2CCc3c(ncn3C(C)C)[C@H]2CNC(C)=O)nc1Cl ZINC001164723363 720314872 /nfs/dbraw/zinc/31/48/72/720314872.db2.gz OFRAWWVBZHEZGB-CQSZACIVSA-N 0 0 443.951 4.019 20 0 IIADRN Fc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc(Cl)c2c1 ZINC001164731016 720378754 /nfs/dbraw/zinc/37/87/54/720378754.db2.gz YAYYIGXZLAYJAM-QZTJIDSGSA-N 0 0 433.865 4.215 20 0 IIADRN COc1nc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164824989 720395624 /nfs/dbraw/zinc/39/56/24/720395624.db2.gz SVNHXBGGLDDORX-SFHVURJKSA-N 0 0 444.860 4.426 20 0 IIADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@@H]21 ZINC001164822999 720420516 /nfs/dbraw/zinc/42/05/16/720420516.db2.gz GHTPQUWHGQSCLD-BRWVUGGUSA-N 0 0 437.918 4.047 20 0 IIADRN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2cccnc2Cl)C3)c1 ZINC001164722420 720490437 /nfs/dbraw/zinc/49/04/37/720490437.db2.gz AILLOFCRJOXZRL-FOIQADDNSA-N 0 0 441.881 4.143 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)n1)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164734493 720536819 /nfs/dbraw/zinc/53/68/19/720536819.db2.gz JAYRFECQQLGYFL-UGSOOPFHSA-N 0 0 445.297 4.178 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164848290 720770435 /nfs/dbraw/zinc/77/04/35/720770435.db2.gz PJNYXSLIRLBNPU-OIISXLGYSA-N 0 0 427.854 4.157 20 0 IIADRN FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164845845 720772371 /nfs/dbraw/zinc/77/23/71/720772371.db2.gz GJSWDEHNZHDXRF-BMFZPTHFSA-N 0 0 445.297 4.066 20 0 IIADRN COc1ccc(C(F)(F)N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)c(Cl)n1 ZINC001164849460 720773513 /nfs/dbraw/zinc/77/35/13/720773513.db2.gz SLMZFAXMBGPYRN-SZMVWBNQSA-N 0 0 439.890 4.027 20 0 IIADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@@H]21 ZINC001164844468 720774558 /nfs/dbraw/zinc/77/45/58/720774558.db2.gz BZOJNKJSLPEOIF-SNRMKQJTSA-N 0 0 448.901 4.499 20 0 IIADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164844833 720775821 /nfs/dbraw/zinc/77/58/21/720775821.db2.gz DECXSSUDIIDPOU-SQNIBIBYSA-N 0 0 448.901 4.499 20 0 IIADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4nc(Cl)ncc4Cl)C3)C2=O)c1 ZINC001164853648 720806929 /nfs/dbraw/zinc/80/69/29/720806929.db2.gz RHYIUTLQKLEARD-IBGZPJMESA-N 0 0 441.309 4.266 20 0 IIADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCOC[C@@H]2c2csc(C)n2)n1 ZINC001164750273 720864621 /nfs/dbraw/zinc/86/46/21/720864621.db2.gz PENHIAPYUFAIDG-QGZVFWFLSA-N 0 0 431.631 4.493 20 0 IIADRN Cc1cc(C(F)(F)N2CC[C@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)cc(Cl)n1 ZINC001164860856 720897358 /nfs/dbraw/zinc/89/73/58/720897358.db2.gz VKGPFTGHLNEZNC-WIYYLYMNSA-N 0 0 435.902 4.146 20 0 IIADRN Cc1ccc(C(F)(F)N2CC[C@@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)nc1Cl ZINC001164855390 720899398 /nfs/dbraw/zinc/89/93/98/720899398.db2.gz BJSMGGLKHIJLQA-UTKZUKDTSA-N 0 0 435.902 4.146 20 0 IIADRN FC(F)(c1cc2ccccc2nc1Cl)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@H]21 ZINC001164760315 721006841 /nfs/dbraw/zinc/00/68/41/721006841.db2.gz OKTHHTRSGHUHEX-AHRSYUTCSA-N 0 0 431.870 4.249 20 0 IIADRN COc1ccc(C(F)(F)N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c(Cl)n1 ZINC001164763074 721028086 /nfs/dbraw/zinc/02/80/86/721028086.db2.gz JZOTUUCLVROAEQ-OXJNMPFZSA-N 0 0 439.890 4.028 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164767755 721028152 /nfs/dbraw/zinc/02/81/52/721028152.db2.gz STHQFIWEBSJKCV-DNVCBOLYSA-N 0 0 427.854 4.159 20 0 IIADRN CCn1nnc2c1CCN(C(F)(F)c1cccnc1Cl)[C@H]2COCc1ccccc1 ZINC001164759195 721047198 /nfs/dbraw/zinc/04/71/98/721047198.db2.gz KKCUTZMGWOCAGP-SFHVURJKSA-N 0 0 433.890 4.212 20 0 IIADRN CCn1nnc2c1CCN(C(F)(F)Oc1cccnc1Cl)[C@H]2COCc1ccccc1 ZINC001164773437 721048062 /nfs/dbraw/zinc/04/80/62/721048062.db2.gz RSBXCNGJRCOBII-KRWDZBQOSA-N 0 0 449.889 4.092 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(Cl)c2)n1 ZINC001164774791 721049906 /nfs/dbraw/zinc/04/99/06/721049906.db2.gz YDYKPIQSVTZVJX-JKSUJKDBSA-N 0 0 427.282 4.017 20 0 IIADRN CCn1nnc2c1CCN(C(C)(C)c1ccnc(Cl)c1)[C@@H]2COCc1ccccc1 ZINC001164774735 721050025 /nfs/dbraw/zinc/05/00/25/721050025.db2.gz XNMDDNQLGSPNBU-HXUWFJFHSA-N 0 0 425.964 4.398 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)ncc2Cl)n1 ZINC001164765671 721050448 /nfs/dbraw/zinc/05/04/48/721050448.db2.gz CSJFOXBGZNIPLX-HZPDHXFCSA-N 0 0 427.282 4.017 20 0 IIADRN Cc1cccc(-c2cc(C(F)(F)N3CC4CC3(C(=O)N3CCCC3)C4)c(Cl)nn2)c1 ZINC001164874848 721238268 /nfs/dbraw/zinc/23/82/68/721238268.db2.gz UHPNAPUFYZESEW-UHFFFAOYSA-N 0 0 432.902 4.242 20 0 IIADRN FC(F)(c1cc(Cl)ncc1Cl)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164764598 721272278 /nfs/dbraw/zinc/27/22/78/721272278.db2.gz HMIGBYRGEZLPIK-CYBMUJFWSA-N 0 0 440.281 4.240 20 0 IIADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164881413 721310809 /nfs/dbraw/zinc/31/08/09/721310809.db2.gz VYMTYUSLOVHQHO-DAXOMENPSA-N 0 0 430.282 4.391 20 0 IIADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164877864 721310974 /nfs/dbraw/zinc/31/09/74/721310974.db2.gz JVCJPTLIVMWFTH-VHDGCEQUSA-N 0 0 430.282 4.391 20 0 IIADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164876921 721311198 /nfs/dbraw/zinc/31/11/98/721311198.db2.gz HDNNHOXQPFMPLJ-GDIGMMSISA-N 0 0 446.885 4.286 20 0 IIADRN CSc1ccc(C(F)(F)N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)nc1Cl ZINC001164878467 721312962 /nfs/dbraw/zinc/31/29/62/721312962.db2.gz LFJQCEHOAUTURA-RBSFLKMASA-N 0 0 441.931 4.460 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1nc3ccsc3c(Cl)n1)CC2 ZINC001164877237 721316648 /nfs/dbraw/zinc/31/66/48/721316648.db2.gz KOZKJJJFFXRBEP-AWEZNQCLSA-N 0 0 448.926 4.390 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)C[C@@H]2C)C1=O ZINC001164779577 721318451 /nfs/dbraw/zinc/31/84/51/721318451.db2.gz ZDRDSPAFQSBVDR-BBATYDOGSA-N 0 0 429.298 4.176 20 0 IIADRN CN(C)C1=NOC2(C1)CCN(C(F)(F)c1ccc3c(Cl)nc(Cl)nc3c1)CC2 ZINC001164878392 721326053 /nfs/dbraw/zinc/32/60/53/721326053.db2.gz NRWJOHRBLSUHHN-UHFFFAOYSA-N 0 0 430.286 4.116 20 0 IIADRN Cc1nc(C(F)(F)N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)nc(Cl)c1C ZINC001164778072 721326578 /nfs/dbraw/zinc/32/65/78/721326578.db2.gz UGCOYQYHDXOAIZ-CQSZACIVSA-N 0 0 442.869 4.033 20 0 IIADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(F)(F)c3ccnc(Cl)c3)C2)cs1 ZINC001164873441 721330579 /nfs/dbraw/zinc/33/05/79/721330579.db2.gz CDYICRCHWYYTPH-AWEZNQCLSA-N 0 0 439.919 4.095 20 0 IIADRN Cc1nc(COC[C@H]2Cn3nccc3CN(C(C)(C)c3ccnc(Cl)c3)C2)cs1 ZINC001164877418 721332255 /nfs/dbraw/zinc/33/22/55/721332255.db2.gz TZXKZZXORDGDLR-MRXNPFEDSA-N 0 0 431.993 4.280 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cnc4c(Cl)cccc4n3)C2)C1 ZINC001164778219 721345170 /nfs/dbraw/zinc/34/51/70/721345170.db2.gz LHNRVVARULEFSM-QHCPKHFHSA-N 0 0 441.963 4.007 20 0 IIADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cc(-c3ccco3)nnc2Cl)N1c1ccsc1 ZINC001164881275 721358244 /nfs/dbraw/zinc/35/82/44/721358244.db2.gz AVBJNLJFYPLCEN-GJZGRUSLSA-N 0 0 436.871 4.381 20 0 IIADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)N1c1ccsc1 ZINC001164885076 721358335 /nfs/dbraw/zinc/35/83/35/721358335.db2.gz WPTKNFROPOGKIH-GJZGRUSLSA-N 0 0 447.898 4.183 20 0 IIADRN COCCN1CCN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)Cc2cccnc21 ZINC001164884681 721369355 /nfs/dbraw/zinc/36/93/55/721369355.db2.gz DEZYDGULTPHPCR-UHFFFAOYSA-N 0 0 436.812 4.167 20 0 IIADRN Fc1cc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COCc3ccncc3)C2)cnc1Cl ZINC001164779320 721384273 /nfs/dbraw/zinc/38/42/73/721384273.db2.gz AHDGHSBBPQKMOW-UZLBHIALSA-N 0 0 441.881 4.406 20 0 IIADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164781192 721417184 /nfs/dbraw/zinc/41/71/84/721417184.db2.gz CQBINDCDRJZXFS-HOTGVXAUSA-N 0 0 447.942 4.367 20 0 IIADRN Cc1ccc(Oc2nc(Cl)ncc2N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)cc1 ZINC001164782080 721436238 /nfs/dbraw/zinc/43/62/38/721436238.db2.gz FPWXJDHOLQFNFJ-HOTGVXAUSA-N 0 0 427.961 4.255 20 0 IIADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4cc(Cl)ncc4F)C3)C2=O)cs1 ZINC001164885551 721461271 /nfs/dbraw/zinc/46/12/71/721461271.db2.gz FNXILNRBPYKICT-GOSISDBHSA-N 0 0 444.910 4.203 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)CC[C@H]21 ZINC001164892464 721466780 /nfs/dbraw/zinc/46/67/80/721466780.db2.gz QNTQBKJYJNKGIR-ZWDAVXSWSA-N 0 0 432.927 4.008 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164888169 721469767 /nfs/dbraw/zinc/46/97/67/721469767.db2.gz DUDKMEVEYYCTFM-INIZCTEOSA-N 0 0 433.890 4.033 20 0 IIADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)COc3cccc(Cl)n3)CC2)C1=O ZINC001164896959 721473610 /nfs/dbraw/zinc/47/36/10/721473610.db2.gz YNGSMPLLGSJEJI-UHFFFAOYSA-N 0 0 435.902 4.004 20 0 IIADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cnc(Cl)cc1Cl ZINC001164891173 721474699 /nfs/dbraw/zinc/47/46/99/721474699.db2.gz BNLQCMNJXPRGAC-LJQANCHMSA-N 0 0 441.309 4.490 20 0 IIADRN CCOC[C@H]1CN(c2nc(CN(CC)CC)nc3sc(C)c(C)c32)Cc2cnn(C)c21 ZINC001164790290 721477460 /nfs/dbraw/zinc/47/74/60/721477460.db2.gz DHMXBAVDHGMEBO-GOSISDBHSA-N 0 0 442.633 4.024 20 0 IIADRN Fc1cccnc1OC[C@]12COC[C@@H]1CN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001164792773 721487214 /nfs/dbraw/zinc/48/72/14/721487214.db2.gz LRRZDTUVDHBYPX-QKKBWIMNSA-N 0 0 449.860 4.499 20 0 IIADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3cc(Cl)nc(C)n3)CC2)c2ccc(C)cc21 ZINC001164900477 721491542 /nfs/dbraw/zinc/49/15/42/721491542.db2.gz QCSMUDHYUNFHKU-QGZVFWFLSA-N 0 0 449.933 4.204 20 0 IIADRN CNC(=O)N[C@H]1CC2(CCN([C@H](F)Oc3ccc(Cl)nc3)CC2)c2ccc(C)cc21 ZINC001164900568 721492207 /nfs/dbraw/zinc/49/22/07/721492207.db2.gz QJJCGPPBPDBUQP-ICSRJNTNSA-N 0 0 432.927 4.083 20 0 IIADRN COC(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@@]3(COc3ccccn3)C2)cnc1Cl ZINC001164796277 721505755 /nfs/dbraw/zinc/50/57/55/721505755.db2.gz QVLDPZNLBPSRGX-XOBRGWDASA-N 0 0 437.874 4.147 20 0 IIADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164797055 721505762 /nfs/dbraw/zinc/50/57/62/721505762.db2.gz YEBBJNOQEZBMMX-VLIAUNLRSA-N 0 0 437.874 4.147 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164795535 721505956 /nfs/dbraw/zinc/50/59/56/721505956.db2.gz KZUMSWZWAJMFLU-VLIAUNLRSA-N 0 0 431.874 4.304 20 0 IIADRN O=C1CCC2(CCN(C(F)(F)c3cc(C4CC4)nnc3Cl)CC2)N1Cc1ccncc1 ZINC001164897588 721506578 /nfs/dbraw/zinc/50/65/78/721506578.db2.gz FXICOGTVDMQXMT-UHFFFAOYSA-N 0 0 447.917 4.109 20 0 IIADRN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1C[C@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164796993 721507147 /nfs/dbraw/zinc/50/71/47/721507147.db2.gz WGCZSMXSVZTRHK-FOIQADDNSA-N 0 0 447.873 4.410 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164808375 721530339 /nfs/dbraw/zinc/53/03/39/721530339.db2.gz RRRKXARQWDUUBA-YQVWRLOYSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3c(Cl)ccnc32)[C@@H]2CCCO[C@H]12 ZINC001164805056 721551415 /nfs/dbraw/zinc/55/14/15/721551415.db2.gz KQAYNAPWHKAVJV-OPYAIIAOSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2c(Cl)ncc(Cl)c2Cl)[C@H]2CCCO[C@H]12 ZINC001164805425 721557244 /nfs/dbraw/zinc/55/72/44/721557244.db2.gz NUSCRHWFIQIOBG-DAYGRLMNSA-N 0 0 427.763 4.305 20 0 IIADRN CN(C)C(=O)[C@H]1CC12CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164907269 721569807 /nfs/dbraw/zinc/56/98/07/721569807.db2.gz NSHXZTIZHFCIAJ-GFCCVEGCSA-N 0 0 429.298 4.176 20 0 IIADRN Cc1ccc(-c2cc(C(F)(F)N3CCC4(C[C@@H]4C(=O)N(C)C)CC3)c(Cl)nn2)cc1 ZINC001164903228 721571505 /nfs/dbraw/zinc/57/15/05/721571505.db2.gz OVILBBHSMXLYFR-QGZVFWFLSA-N 0 0 434.918 4.345 20 0 IIADRN CCc1nc2sc3c(c2c(N2C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]42)n1)CCC3 ZINC001164805433 721575983 /nfs/dbraw/zinc/57/59/83/721575983.db2.gz NVHNCCPKOUDWKR-MSYCTHLASA-N 0 0 449.624 4.006 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)[C@H]2CCCO[C@@H]12 ZINC001164806194 721591230 /nfs/dbraw/zinc/59/12/30/721591230.db2.gz MGGOQULJVQIKQB-QKNQBKEWSA-N 0 0 448.945 4.118 20 0 IIADRN Cc1nc(-c2ccccn2)nc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c1C ZINC001164912539 721764085 /nfs/dbraw/zinc/76/40/85/721764085.db2.gz ZAPIIMUCQQWNSL-UHFFFAOYSA-N 0 0 440.551 4.338 20 0 IIADRN CSc1ccc(C(F)(F)N2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)nc1Cl ZINC001165015472 721770519 /nfs/dbraw/zinc/77/05/19/721770519.db2.gz LJEZPGZYWXVSPX-OLZOCXBDSA-N 0 0 427.904 4.336 20 0 IIADRN CSc1ccc(C(F)(F)N2CCC[C@H]3CN(C(=O)c4ccco4)C[C@H]32)nc1Cl ZINC001165015473 721770760 /nfs/dbraw/zinc/77/07/60/721770760.db2.gz LJEZPGZYWXVSPX-QWHCGFSZSA-N 0 0 427.904 4.336 20 0 IIADRN O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001165022207 721784498 /nfs/dbraw/zinc/78/44/98/721784498.db2.gz QHJUYLLQMYCJTE-NRFANRHFSA-N 0 0 443.885 4.247 20 0 IIADRN Fc1cc(C(F)(F)N2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)cnc1Cl ZINC001164918571 721809782 /nfs/dbraw/zinc/80/97/82/721809782.db2.gz RNWHXPUIMQFDSO-HZUKXOBISA-N 0 0 433.883 4.076 20 0 IIADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CC2 ZINC001165021823 721832869 /nfs/dbraw/zinc/83/28/69/721832869.db2.gz MBJPXZVYYFVVKB-UHFFFAOYSA-N 0 0 432.833 4.458 20 0 IIADRN FC(F)(c1cccc2ccnc(Cl)c21)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164923827 721839559 /nfs/dbraw/zinc/83/95/59/721839559.db2.gz KKXYMDRBQGCSLD-HTAPYJJXSA-N 0 0 445.897 4.498 20 0 IIADRN Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CCN(C[C@@H]3CCCO3)CC2)n1 ZINC001165039830 721909851 /nfs/dbraw/zinc/90/98/51/721909851.db2.gz VSWZGXWSYBYZES-NRFANRHFSA-N 0 0 435.959 4.160 20 0 IIADRN COc1nnc(Cl)cc1C(F)(F)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC001165043674 721939944 /nfs/dbraw/zinc/93/99/44/721939944.db2.gz AJAZYRBQLFWEFR-UHFFFAOYSA-N 0 0 440.281 4.212 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@H]21 ZINC001164948063 721952079 /nfs/dbraw/zinc/95/20/79/721952079.db2.gz RIXDFNBYUOVWOI-UXHICEINSA-N 0 0 448.901 4.128 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3c(C)c(Cl)nc4cc(F)cc(F)c43)C[C@H]21 ZINC001164949944 721962705 /nfs/dbraw/zinc/96/27/05/721962705.db2.gz ZLQLMAQCNFBFMS-RTBURBONSA-N 0 0 448.901 4.169 20 0 IIADRN FC(F)(F)c1nnc(N2CCN(C(F)(F)c3ccnc(Cl)c3Cl)CC2)s1 ZINC001165052647 721999540 /nfs/dbraw/zinc/99/95/40/721999540.db2.gz WFJVVBDXKJOIHD-UHFFFAOYSA-N 0 0 434.221 4.130 20 0 IIADRN COc1cc(C(F)(F)N2C[C@H]3c4c(-c5ccccc5)nn(C)c4C[C@@H]3C2)cc(Cl)n1 ZINC001164953038 722003478 /nfs/dbraw/zinc/00/34/78/722003478.db2.gz ONURIVDLWXWFMC-GDBMZVCRSA-N 0 0 430.886 4.465 20 0 IIADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCN(CCc2ccccn2)CC1 ZINC001165053572 722010041 /nfs/dbraw/zinc/01/00/41/722010041.db2.gz KCQBMSMYFLJHRX-UHFFFAOYSA-N 0 0 438.309 4.241 20 0 IIADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN([C@H](F)Oc2ccc(Cl)nc2)C3)n1 ZINC001164957157 722026668 /nfs/dbraw/zinc/02/66/68/722026668.db2.gz ADLYIPHNWKSZJN-BAGYTPMASA-N 0 0 435.927 4.158 20 0 IIADRN O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164962096 722035710 /nfs/dbraw/zinc/03/57/10/722035710.db2.gz XHGIDNHGYANCGA-NQIIRXRSSA-N 0 0 432.902 4.085 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001164958039 722051041 /nfs/dbraw/zinc/05/10/41/722051041.db2.gz AWFMQAMIJRPZKU-UHFFFAOYSA-N 0 0 431.830 4.335 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN([C@@H](F)Oc2ccc(Cl)nc2)[C@H]3C)c1 ZINC001164965668 722063178 /nfs/dbraw/zinc/06/31/78/722063178.db2.gz LKMVZJJWYAFOKT-YCRPNKLZSA-N 0 0 431.899 4.060 20 0 IIADRN O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cccc2c(Cl)nccc21 ZINC001164966080 722064983 /nfs/dbraw/zinc/06/49/83/722064983.db2.gz OBPBJRKVKJRCQJ-IAGOWNOFSA-N 0 0 434.899 4.383 20 0 IIADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)CC2 ZINC001164979282 722091162 /nfs/dbraw/zinc/09/11/62/722091162.db2.gz YQUBIJMWXWNZKR-CYBMUJFWSA-N 0 0 433.330 4.241 20 0 IIADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1cnc(Cl)nc1Cl)CC2 ZINC001164977602 722091186 /nfs/dbraw/zinc/09/11/86/722091186.db2.gz UZSXDDUQNBPVTK-CYBMUJFWSA-N 0 0 433.330 4.241 20 0 IIADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)COc1ccnc(Cl)c1)CC2 ZINC001164972364 722091468 /nfs/dbraw/zinc/09/14/68/722091468.db2.gz GMBUJMIBISGDNT-MRXNPFEDSA-N 0 0 427.923 4.115 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)C[C@@H]21 ZINC001164974433 722096976 /nfs/dbraw/zinc/09/69/76/722096976.db2.gz CWJHUXUFDKZVHI-YQQAZPJKSA-N 0 0 441.309 4.479 20 0 IIADRN O=C1CC2(CCN(C(F)(F)c3cc[n+]([O-])c(Cl)c3)CC2)c2ccccc2N1CC1CC1 ZINC001164973998 722161086 /nfs/dbraw/zinc/16/10/86/722161086.db2.gz NVYIEYDMWBIJMX-UHFFFAOYSA-N 0 0 447.913 4.203 20 0 IIADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C2)C1=O ZINC001164983221 722161941 /nfs/dbraw/zinc/16/19/41/722161941.db2.gz ZKHGIYLPPSZQMG-HXUWFJFHSA-N 0 0 432.833 4.092 20 0 IIADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@]4(C3)c3ccccc3N(C)C4=O)c2c1C ZINC001164983108 722162556 /nfs/dbraw/zinc/16/25/56/722162556.db2.gz XYFBPBSUTROBER-RUZDIDTESA-N 0 0 447.608 4.028 20 0 IIADRN NC(=O)c1ccc(C(F)(F)N2C[C@@H]3c4ccccc4[C@H](OCC4CC4)[C@@H]3C2)nc1Cl ZINC001164975367 722170440 /nfs/dbraw/zinc/17/04/40/722170440.db2.gz HZTCJTSKOTWGDE-LMMKCTJWSA-N 0 0 433.886 4.080 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4ccnc(Cl)c4F)CC[C@H]32)cs1 ZINC001164982959 722175476 /nfs/dbraw/zinc/17/54/76/722175476.db2.gz AHQWEJPXCOXEDM-HZPDHXFCSA-N 0 0 446.926 4.054 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4nc(Cl)ccc4F)CC[C@@H]32)cs1 ZINC001164994513 722181149 /nfs/dbraw/zinc/18/11/49/722181149.db2.gz YYFIAXJOYMJUIL-JKSUJKDBSA-N 0 0 446.926 4.054 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cnc(Cl)cc4C)CC[C@@H]32)cs1 ZINC001164990584 722181961 /nfs/dbraw/zinc/18/19/61/722181961.db2.gz OFFNSTJDAPJVSJ-ROUUACIJSA-N 0 0 442.963 4.223 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(-c5ccc(C)cc5)nn4)CC[C@@H]32)cs1 ZINC001164988645 722184981 /nfs/dbraw/zinc/18/49/81/722184981.db2.gz NHRBUZQALLIXIP-GOTSBHOMSA-N 0 0 435.597 4.087 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C(C)C)nc(Cl)c4C)CC[C@H]32)cs1 ZINC001164992551 722186293 /nfs/dbraw/zinc/18/62/93/722186293.db2.gz XFCPHWRFQFXFLQ-MSOLQXFVSA-N 0 0 436.025 4.197 20 0 IIADRN COc1cc2ccnc(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)c2cc1F ZINC001164989699 722186479 /nfs/dbraw/zinc/18/64/79/722186479.db2.gz PSRATYLSQRPWMN-SFTDATJTSA-N 0 0 442.560 4.017 20 0 IIADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164993441 722187429 /nfs/dbraw/zinc/18/74/29/722187429.db2.gz ZQWDZUWZQLWHDV-CQSZACIVSA-N 0 0 436.330 4.035 20 0 IIADRN Fc1cccc(CN2CC[C@]23CCCN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)C3)c1 ZINC001164994934 722205818 /nfs/dbraw/zinc/20/58/18/722205818.db2.gz JVBVSEAEFXNNEN-SFHVURJKSA-N 0 0 428.911 4.348 20 0 IIADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3ccc(Cl)nn3)CC2)c2ccccc21 ZINC001164999474 722220592 /nfs/dbraw/zinc/22/05/92/722220592.db2.gz RQRAXFGXVXLDDZ-UHFFFAOYSA-N 0 0 444.913 4.136 20 0 IIADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)c1ccnc(Cl)n1)CC2 ZINC001164998553 722220798 /nfs/dbraw/zinc/22/07/98/722220798.db2.gz JDQJZCPHUWBMHG-GOSISDBHSA-N 0 0 432.902 4.255 20 0 IIADRN CC(C)CN1c2ccccc2[C@@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)CC[C@H]21 ZINC001165006509 722245519 /nfs/dbraw/zinc/24/55/19/722245519.db2.gz ZCUXNBAHTVMYAE-GOEBONIOSA-N 0 0 432.906 4.341 20 0 IIADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001165001713 722247505 /nfs/dbraw/zinc/24/75/05/722247505.db2.gz UAGOAMCXUKERHJ-UHFFFAOYSA-N 0 0 440.237 4.131 20 0 IIADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)c2ccnc(Cl)c2)CC3)cs1 ZINC001165004537 722272222 /nfs/dbraw/zinc/27/22/22/722272222.db2.gz BFTCIOUAWKJYID-MRXNPFEDSA-N 0 0 429.920 4.390 20 0 IIADRN C[C@@H]1CN(C(F)(F)c2cccc(Cl)n2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007153 722273564 /nfs/dbraw/zinc/27/35/64/722273564.db2.gz BKSDFSYFFRLUIJ-AKCHCHLHSA-N 0 0 436.890 4.078 20 0 IIADRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001123267480 939817138 /nfs/dbraw/zinc/81/71/38/939817138.db2.gz IHUNOEGFCQYIPW-FQRUVTKNSA-N 0 0 438.568 4.121 20 0 IIADRN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123372514 939822669 /nfs/dbraw/zinc/82/26/69/939822669.db2.gz OKMOLULGWVRNEG-HXOBKFHXSA-N 0 0 448.485 4.120 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1cc(Cl)ccc1Br ZINC000426727179 1126083362 /nfs/dbraw/zinc/08/33/62/1126083362.db2.gz NGSKRGYFRJXGDV-INIZCTEOSA-N 0 0 440.721 4.049 20 0 IIADRN COc1cc(C[NH2+][C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc(Br)c1O ZINC000426737630 1126085181 /nfs/dbraw/zinc/08/51/81/1126085181.db2.gz OVIXSVPJOFQYQP-AWEZNQCLSA-N 0 0 449.128 4.256 20 0 IIADRN COc1cc(C[NH2+][C@H](Cc2c(F)cccc2Cl)C(=O)[O-])ccc1OCc1ccncc1 ZINC000426758267 1126088375 /nfs/dbraw/zinc/08/83/75/1126088375.db2.gz HJGQWGLNWSVVFM-HXUWFJFHSA-N 0 0 444.890 4.247 20 0 IIADRN CCn1nc(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])c2ccccc21 ZINC000426758862 1126088439 /nfs/dbraw/zinc/08/84/39/1126088439.db2.gz JURXJHNQBGLPDS-QGZVFWFLSA-N 0 0 441.329 4.086 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000426760336 1126088581 /nfs/dbraw/zinc/08/85/81/1126088581.db2.gz ZQXDZLWASWZRHG-SFHVURJKSA-N 0 0 430.277 4.336 20 0 IIADRN Cc1ccc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])cc1Br ZINC000426763937 1126089106 /nfs/dbraw/zinc/08/91/06/1126089106.db2.gz URZQKNLSGSGKJW-INIZCTEOSA-N 0 0 427.136 4.306 20 0 IIADRN CC(C)(C)c1ncc(C[NH2+][C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])s1 ZINC000426751732 1126087157 /nfs/dbraw/zinc/08/71/57/1126087157.db2.gz XTEBOOVLYVXYEW-HNNXBMFYSA-N 0 0 436.375 4.470 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000426805806 1126091522 /nfs/dbraw/zinc/09/15/22/1126091522.db2.gz FUBKIHCCSHTMDB-MRXNPFEDSA-N 0 0 427.220 4.133 20 0 IIADRN Cc1ccc(OCc2nc(C[NH2+][C@H](Cc3c[nH]c4cc(F)ccc34)C(=O)[O-])cs2)cc1 ZINC000426831758 1126093122 /nfs/dbraw/zinc/09/31/22/1126093122.db2.gz DVHNHNOBOFKASG-OAQYLSRUSA-N 0 0 439.512 4.436 20 0 IIADRN CCn1c(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])nc2ccccc21 ZINC000521247129 1126095813 /nfs/dbraw/zinc/09/58/13/1126095813.db2.gz GXMNAMQKTCRNFL-GOSISDBHSA-N 0 0 441.329 4.086 20 0 IIADRN O=C([O-])[C@@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000567326486 1126097611 /nfs/dbraw/zinc/09/76/11/1126097611.db2.gz PORJGNXYAQYGAN-HXUWFJFHSA-N 0 0 438.940 4.435 20 0 IIADRN CC1(C)Cc2cc(C[NH2+][C@H](Cc3c[nH]c4cccc(Br)c34)C(=O)[O-])ccc2O1 ZINC000756380700 1126108013 /nfs/dbraw/zinc/10/80/13/1126108013.db2.gz FWYPTBAHKOVALQ-GOSISDBHSA-N 0 0 443.341 4.429 20 0 IIADRN COc1ccccc1C[C@@](C)(CO)NCc1csc(COc2ccc(Cl)cc2)n1 ZINC001460693262 1126191692 /nfs/dbraw/zinc/19/16/92/1126191692.db2.gz DLNDHRYGUTXHHX-QFIPXVFZSA-N 0 0 432.973 4.467 20 0 IIADRN C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC001620624202 1126241665 /nfs/dbraw/zinc/24/16/65/1126241665.db2.gz RCFIAWTZFQOARP-QHCPKHFHSA-N 0 0 441.503 4.013 20 0 IIADRN Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Br)c([O-])c(Br)c2)cc1C ZINC001621377008 1126246503 /nfs/dbraw/zinc/24/65/03/1126246503.db2.gz UUFLROYYKGMHPM-OAHLLOKOSA-N 0 0 443.179 4.227 20 0 IIADRN CN(Cc1ccc(Cl)cc1Cl)Cn1nc2n(c1=S)c1ccccc1c(=O)n2C ZINC000012521832 523230470 /nfs/dbraw/zinc/23/04/70/523230470.db2.gz PYIBKSHHASONHB-UHFFFAOYSA-N 0 0 434.352 4.113 20 0 IIADRN CCOc1c(Br)cc(C[NH2+][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1OC ZINC000040721608 556647408 /nfs/dbraw/zinc/64/74/08/556647408.db2.gz YNCVREHOHHSYAF-GOSISDBHSA-N 0 0 447.329 4.123 20 0 IIADRN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000012483623 562982499 /nfs/dbraw/zinc/98/24/99/562982499.db2.gz KAHDNZQVPSUXAU-UHFFFAOYSA-N 0 0 445.418 4.013 20 0 IIADRN O[C@H](c1ccc(F)cc1)C1CCN(Cc2ccccc2I)CC1 ZINC000013473846 562988505 /nfs/dbraw/zinc/98/85/05/562988505.db2.gz VICKVZKXQKXAPK-LJQANCHMSA-N 0 0 425.285 4.376 20 0 IIADRN COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(C(C)C)cc4)CC3)c2cc1OC ZINC000013474778 562988742 /nfs/dbraw/zinc/98/87/42/562988742.db2.gz CDPYJPHBGSGNJS-UHFFFAOYSA-N 0 0 435.528 4.125 20 0 IIADRN CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000027211242 563041055 /nfs/dbraw/zinc/04/10/55/563041055.db2.gz UCQLOQXHZMBSOQ-RUZDIDTESA-N 0 0 431.532 4.441 20 0 IIADRN C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@H]5COC[C@H]5C4)c23)C1 ZINC001164387822 718819319 /nfs/dbraw/zinc/81/93/19/718819319.db2.gz IXISRKAUFWOCJA-FGTMMUONSA-N 0 0 426.630 4.275 20 0 IIADRN O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2CC(F)(F)[C@H]2C1 ZINC001164407811 718867701 /nfs/dbraw/zinc/86/77/01/718867701.db2.gz KDTUUDPYQXNZHC-JSGCOSHPSA-N 0 0 429.801 4.123 20 0 IIADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2C[C@@H]3[C@@H](C2)OCC3(F)F)cc1 ZINC001164424301 718927343 /nfs/dbraw/zinc/92/73/43/718927343.db2.gz MVXZRALVOAAMLY-HUUCEWRRSA-N 0 0 444.812 4.204 20 0 IIADRN C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4C[C@@H]5[C@@H](C4)OCC5(F)F)c32)C1 ZINC001164423037 718929792 /nfs/dbraw/zinc/92/97/92/718929792.db2.gz DBMOEYOMKKMUDU-DJIMGWMZSA-N 0 0 448.583 4.272 20 0 IIADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC(=O)c3ccc(F)cc32)CC1 ZINC001164422975 718937074 /nfs/dbraw/zinc/93/70/74/718937074.db2.gz CGSLDGYVMVVXIW-UHFFFAOYSA-N 0 0 438.833 4.330 20 0 IIADRN COC(=O)c1ccc(C(F)(F)N2CCC3(CC(=O)c4ccc(F)cc43)CC2)nc1Cl ZINC001164422996 718937206 /nfs/dbraw/zinc/93/72/06/718937206.db2.gz COIFOAYAPBIMEA-UHFFFAOYSA-N 0 0 438.833 4.330 20 0 IIADRN FC(F)(c1c2c(nnc1Cl)CCC2)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164650061 719289887 /nfs/dbraw/zinc/28/98/87/719289887.db2.gz XUPVGWBKSGAOEM-XZJROXQQSA-N 0 0 438.931 4.464 20 0 IIADRN 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FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164872255 721248376 /nfs/dbraw/zinc/24/83/76/721248376.db2.gz CSIHHRLOMXVSCQ-WBAXXEDZSA-N 0 0 434.874 4.362 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164873384 721249646 /nfs/dbraw/zinc/24/96/46/721249646.db2.gz IIMNWZWVBGRWMK-IPELMVKDSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1C[C@H]2OCCN(c3cnccn3)[C@@H]2C1 ZINC001164767022 721267616 /nfs/dbraw/zinc/26/76/16/721267616.db2.gz PXXDBCAYLDNRSP-RTBURBONSA-N 0 0 449.933 4.212 20 0 IIADRN Cc1cc(C(F)(F)N2CCc3c(COCc4ccccn4)cncc3C2)c(Cl)nn1 ZINC001164768296 721271378 /nfs/dbraw/zinc/27/13/78/721271378.db2.gz UCCIQCKKCKAHML-UHFFFAOYSA-N 0 0 431.874 4.053 20 0 IIADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164874106 721310690 /nfs/dbraw/zinc/31/06/90/721310690.db2.gz BFZVKGHADMCTDO-VBNZEHGJSA-N 0 0 430.282 4.391 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164881951 721313686 /nfs/dbraw/zinc/31/36/86/721313686.db2.gz YMUKIPSIIQVWPJ-FHLIZLRMSA-N 0 0 446.885 4.286 20 0 IIADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164879507 721314561 /nfs/dbraw/zinc/31/45/61/721314561.db2.gz NBHJEEMVFWSICU-FHLIZLRMSA-N 0 0 446.885 4.286 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)CC2 ZINC001164877206 721316553 /nfs/dbraw/zinc/31/65/53/721316553.db2.gz JVLPCGZCCHQWMQ-GOSISDBHSA-N 0 0 442.897 4.328 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001164876415 721317801 /nfs/dbraw/zinc/31/78/01/721317801.db2.gz HIJYIIJNBCEMRQ-MRXNPFEDSA-N 0 0 442.897 4.328 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001164876550 721317849 /nfs/dbraw/zinc/31/78/49/721317849.db2.gz ISCOSWWKNNJREI-MRXNPFEDSA-N 0 0 430.886 4.261 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)C[C@@H]2C)C1=O ZINC001164779581 721322914 /nfs/dbraw/zinc/32/29/14/721322914.db2.gz ZFUAUKQVOWYTMF-RNODOKPDSA-N 0 0 438.881 4.176 20 0 IIADRN O=C(c1ccccc1)N1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C[C@H]2C1 ZINC001164883429 721353114 /nfs/dbraw/zinc/35/31/14/721353114.db2.gz LQUZVJUKSKQBPL-XLIONFOSSA-N 0 0 447.913 4.135 20 0 IIADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2nc(Cl)c3cccc(F)c3n2)N1c1ccsc1 ZINC001164885204 721355175 /nfs/dbraw/zinc/35/51/75/721355175.db2.gz XKPXSQVYPPSEMZ-ZIAGYGMSSA-N 0 0 438.862 4.413 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc(C)c(Cl)cc3Cl)C2)C1 ZINC001164786025 721362743 /nfs/dbraw/zinc/36/27/43/721362743.db2.gz UNAYBSYLRSYGNR-NRFANRHFSA-N 0 0 439.387 4.421 20 0 IIADRN O=C1CO[C@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C[C@@H]2N1c1cccc(F)c1 ZINC001164881589 721364017 /nfs/dbraw/zinc/36/40/17/721364017.db2.gz FDTIYSZQFIRZAD-OALUTQOASA-N 0 0 447.844 4.193 20 0 IIADRN O=C1CO[C@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@H]2N1c1cccc(F)c1 ZINC001164883911 721365852 /nfs/dbraw/zinc/36/58/52/721365852.db2.gz RYQHZCIXKFCYIQ-MOPGFXCFSA-N 0 0 447.844 4.193 20 0 IIADRN COCCN1CCN(C(F)(F)c2ccc(-c3cc(Cl)ncn3)cc2)Cc2cccnc21 ZINC001164884162 721368339 /nfs/dbraw/zinc/36/83/39/721368339.db2.gz CKNGWVRRIMQJFY-UHFFFAOYSA-N 0 0 445.901 4.210 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1CCc2ncn(C)c2[C@@H]1COCc1cccnc1 ZINC001164783016 721441376 /nfs/dbraw/zinc/44/13/76/721441376.db2.gz KYSNKEZUFMJGEQ-SFHVURJKSA-N 0 0 433.890 4.037 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@]23CN([C@@H](F)Oc2ccc(Cl)nc2)CCO3)cs1 ZINC001164784032 721444124 /nfs/dbraw/zinc/44/41/24/721444124.db2.gz OXQYFBPGVVUXIN-BEVDRBHNSA-N 0 0 441.956 4.220 20 0 IIADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cncc(Cl)n2)CCO3)cs1 ZINC001164781465 721444620 /nfs/dbraw/zinc/44/46/20/721444620.db2.gz GAJGSIFLTMCHFV-KDOFPFPSSA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4nc(Cl)ccc4F)C3)C2=O)cs1 ZINC001164885990 721461103 /nfs/dbraw/zinc/46/11/03/721461103.db2.gz GBNUVDCHPVUUGF-SFHVURJKSA-N 0 0 444.910 4.203 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)CC[C@@H]21 ZINC001164892461 721466889 /nfs/dbraw/zinc/46/68/89/721466889.db2.gz QNTQBKJYJNKGIR-WVBUVRCRSA-N 0 0 432.927 4.008 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)CC[C@@H]21 ZINC001164890672 721467292 /nfs/dbraw/zinc/46/72/92/721467292.db2.gz KWQHKHVLCBIBAK-APWZRJJASA-N 0 0 434.918 4.425 20 0 IIADRN Cc1ccc(C(F)(F)N2Cc3nccn3C[C@@H](COCc3ccccn3)C2)nc1Cl ZINC001164888166 721469388 /nfs/dbraw/zinc/46/93/88/721469388.db2.gz DSMCZHNNOHPCKP-MRXNPFEDSA-N 0 0 433.890 4.033 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)Cc2cnn(C)c21 ZINC001164791452 721477030 /nfs/dbraw/zinc/47/70/30/721477030.db2.gz IRQXURQFQIGSRH-GFCCVEGCSA-N 0 0 442.297 4.355 20 0 IIADRN CCOC[C@@H]1CN(C(F)(F)c2ccc(-c3ccc(Cl)nn3)cc2)Cc2cnn(C)c21 ZINC001164792627 721478101 /nfs/dbraw/zinc/47/81/01/721478101.db2.gz OCSLBSBFIQKIMH-INIZCTEOSA-N 0 0 433.890 4.216 20 0 IIADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001164899109 721486964 /nfs/dbraw/zinc/48/69/64/721486964.db2.gz XZHGTAZOXHMATA-NSHDSACASA-N 0 0 447.704 4.316 20 0 IIADRN Fc1cccnc1OC[C@@]12COC[C@H]1CN(C(F)(F)c1ccc3c(ccnc3Cl)c1)C2 ZINC001164792737 721487972 /nfs/dbraw/zinc/48/79/72/721487972.db2.gz LELKJLGFIJCKGK-IIBYNOLFSA-N 0 0 449.860 4.499 20 0 IIADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cccc3ccnc(Cl)c31)CC2 ZINC001164900614 721489597 /nfs/dbraw/zinc/48/95/97/721489597.db2.gz QZOXLSBXKZZSDE-INIZCTEOSA-N 0 0 449.929 4.477 20 0 IIADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)CC2 ZINC001164901884 721490706 /nfs/dbraw/zinc/49/07/06/721490706.db2.gz WWLFHGRHGCJKMS-INIZCTEOSA-N 0 0 449.929 4.477 20 0 IIADRN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@H]3C2)cnc1Cl ZINC001164899234 721499684 /nfs/dbraw/zinc/49/96/84/721499684.db2.gz XSKRKJOTMJIMMH-BHYGNILZSA-N 0 0 448.963 4.105 20 0 IIADRN O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001164898523 721504755 /nfs/dbraw/zinc/50/47/55/721504755.db2.gz SRQRWBFTAOJUDC-GOSISDBHSA-N 0 0 442.897 4.471 20 0 IIADRN c1ccc(CN2CCc3c(ncnc3N3C[C@H]4CCC[C@]4(COc4ccccn4)C3)C2)cc1 ZINC001164795585 721505601 /nfs/dbraw/zinc/50/56/01/721505601.db2.gz LZRUYGLQMLPUAE-AJTFRIOCSA-N 0 0 441.579 4.115 20 0 IIADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164795544 721505807 /nfs/dbraw/zinc/50/58/07/721505807.db2.gz LBEOMTUQDWFGFY-HRAATJIYSA-N 0 0 449.933 4.356 20 0 IIADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]3CCC[C@]3(COc3ccccn3)C2)c1 ZINC001164795298 721506292 /nfs/dbraw/zinc/50/62/92/721506292.db2.gz KIWPUMOTCBQCJH-FOIQADDNSA-N 0 0 437.874 4.147 20 0 IIADRN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1C[C@@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164796996 721506812 /nfs/dbraw/zinc/50/68/12/721506812.db2.gz WGCZSMXSVZTRHK-YWZLYKJASA-N 0 0 447.873 4.410 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(C(C)(C)C)sc32)[C@@H]2CCCO[C@H]12 ZINC001164805318 721540913 /nfs/dbraw/zinc/54/09/13/721540913.db2.gz LRCDRANNAFEDFM-SBHAEUEKSA-N 0 0 437.613 4.252 20 0 IIADRN Cc1cccc(Sc2cncc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)n2)c1 ZINC001164807427 721570633 /nfs/dbraw/zinc/57/06/33/721570633.db2.gz TTZWGPOEADUUIN-SLSDLSHTSA-N 0 0 447.608 4.199 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc3c(Cl)cccc3nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164810849 721588139 /nfs/dbraw/zinc/58/81/39/721588139.db2.gz WKJOTHBJYHTWSU-QWFCFKBJSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc3c(Cl)cccc3nc2Cl)[C@H]2CCCO[C@H]12 ZINC001164810847 721588236 /nfs/dbraw/zinc/58/82/36/721588236.db2.gz WKJOTHBJYHTWSU-NSHGMRRFSA-N 0 0 444.366 4.200 20 0 IIADRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001165011384 721700874 /nfs/dbraw/zinc/70/08/74/721700874.db2.gz RQJNIQFQLIBSFF-UHFFFAOYSA-N 0 0 434.922 4.275 20 0 IIADRN COc1ccc2nc(C(F)(F)N3CC[C@]4(CCCN4C(=O)C(C)C)C3)nc(Cl)c2c1 ZINC001165007632 721727146 /nfs/dbraw/zinc/72/71/46/721727146.db2.gz FWACDIFWVLEIDU-HXUWFJFHSA-N 0 0 438.906 4.064 20 0 IIADRN COc1cc2c(cc1Cl)ncnc2N1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC001164909614 721755027 /nfs/dbraw/zinc/75/50/27/721755027.db2.gz JVSTUVZWMNFYLD-UHFFFAOYSA-N 0 0 449.942 4.475 20 0 IIADRN CCc1c(Cl)nnc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c1CC ZINC001164910940 721755467 /nfs/dbraw/zinc/75/54/67/721755467.db2.gz UUJJXFMLKJJOKA-UHFFFAOYSA-N 0 0 425.964 4.438 20 0 IIADRN Cc1nc2c(nc(Cl)nc2N2CCc3c(CN(C)Cc4ccco4)cncc3C2)s1 ZINC001164910853 721756515 /nfs/dbraw/zinc/75/65/15/721756515.db2.gz SUMVWFJQVYIOGG-UHFFFAOYSA-N 0 0 440.960 4.231 20 0 IIADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1C[C@H](OCC2CC2)[C@@H]2COC[C@@H]21 ZINC001165016570 721763749 /nfs/dbraw/zinc/76/37/49/721763749.db2.gz XXZABDAYUIKUDB-KCXAZCMYSA-N 0 0 427.904 4.034 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nccnc1Oc1ccccc1)C2 ZINC001164910637 721764124 /nfs/dbraw/zinc/76/41/24/721764124.db2.gz JQKLSMHJFGJBDF-UHFFFAOYSA-N 0 0 427.508 4.452 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)[C@@H]2C1 ZINC001165020582 721769335 /nfs/dbraw/zinc/76/93/35/721769335.db2.gz YRHAKUBINLMWEQ-CXAGYDPISA-N 0 0 432.858 4.162 20 0 IIADRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@H]2CN1c1cccnc1 ZINC001165026154 721793719 /nfs/dbraw/zinc/79/37/19/721793719.db2.gz YIPYKDHQIWALAO-SUMWQHHRSA-N 0 0 430.842 4.034 20 0 IIADRN Cc1cc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)cc(Cl)n1 ZINC001164916793 721808686 /nfs/dbraw/zinc/80/86/86/721808686.db2.gz JLUKYJAIHAJPMV-JCKWVBRZSA-N 0 0 429.920 4.245 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(c2ncc(OCc3ccccc3)cc2Cl)CC1 ZINC001164917884 721818064 /nfs/dbraw/zinc/81/80/64/721818064.db2.gz KMCGUOFWENAXPU-UHFFFAOYSA-N 0 0 437.975 4.260 20 0 IIADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001165021685 721832838 /nfs/dbraw/zinc/83/28/38/721832838.db2.gz INHRJEBXWHLEPD-UHFFFAOYSA-N 0 0 432.833 4.458 20 0 IIADRN CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164926112 721837243 /nfs/dbraw/zinc/83/72/43/721837243.db2.gz QDLQZRIWIPFNPU-UTKZUKDTSA-N 0 0 449.933 4.212 20 0 IIADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1C[C@@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164924404 721838778 /nfs/dbraw/zinc/83/87/78/721838778.db2.gz MJFVRVRXABOYEA-XMSQKQJNSA-N 0 0 445.897 4.498 20 0 IIADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164923917 721838917 /nfs/dbraw/zinc/83/89/17/721838917.db2.gz KYTXMMKIKDVWRG-GCJKJVERSA-N 0 0 445.897 4.498 20 0 IIADRN CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CC[C@H](CO)C3)n2)CC1 ZINC001165032944 721878810 /nfs/dbraw/zinc/87/88/10/721878810.db2.gz IWQQBMYHILJHDS-INIZCTEOSA-N 0 0 428.627 4.470 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)CC[C@H]21)NC1CCC1 ZINC001164934912 721896432 /nfs/dbraw/zinc/89/64/32/721896432.db2.gz UENYUBYFLPPVAJ-WDYCEAGBSA-N 0 0 449.929 4.333 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1ccc(Cl)nc1Cl)C2 ZINC001164935371 721910395 /nfs/dbraw/zinc/91/03/95/721910395.db2.gz GFSXZGSSWCYJAT-RISCZKNCSA-N 0 0 430.257 4.423 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3c(Cl)ccc4ccc(Cl)nc43)C[C@@H]21 ZINC001164948406 721962245 /nfs/dbraw/zinc/96/22/45/721962245.db2.gz UPHMNBLKUQTIOC-ROUUACIJSA-N 0 0 433.339 4.236 20 0 IIADRN COc1ccc2nc(C(F)(F)N3CCC[C@@H](C(=O)OC(C)(C)C)C3)nc(Cl)c2c1 ZINC001165051476 721993662 /nfs/dbraw/zinc/99/36/62/721993662.db2.gz HHDWVUDTAWNDJH-GFCCVEGCSA-N 0 0 427.879 4.395 20 0 IIADRN CC1(C)C(=O)NCCN1c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001165052213 721995122 /nfs/dbraw/zinc/99/51/22/721995122.db2.gz UMEQKQYRASEQTC-UHFFFAOYSA-N 0 0 435.597 4.059 20 0 IIADRN Cc1nc(C(F)(F)N2C[C@H]3c4c(-c5ccccc5)nn(C)c4C[C@@H]3C2)nc(Cl)c1C ZINC001164953129 722004593 /nfs/dbraw/zinc/00/45/93/722004593.db2.gz OXWRMAPICNJDQM-HZPDHXFCSA-N 0 0 429.902 4.468 20 0 IIADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(Cl)nc(=S)[nH]3)C[C@H]21 ZINC001164954642 722004644 /nfs/dbraw/zinc/00/46/44/722004644.db2.gz ZPBYBIHEUGFUHR-STQMWFEESA-N 0 0 433.915 4.140 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001164957458 722029282 /nfs/dbraw/zinc/02/92/82/722029282.db2.gz MBFOSUFWGJTUKV-CKEIUWERSA-N 0 0 438.837 4.111 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)c1 ZINC001164960886 722029474 /nfs/dbraw/zinc/02/94/74/722029474.db2.gz UYGBWQUOLZRIGQ-JYJNAYRXSA-N 0 0 445.894 4.351 20 0 IIADRN CSc1nc(Cl)cc(C(F)(F)N2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)n1 ZINC001164959518 722043699 /nfs/dbraw/zinc/04/36/99/722043699.db2.gz HRCJYSKZZSEWMP-QGZVFWFLSA-N 0 0 444.960 4.400 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C[C@@H]21 ZINC001164960411 722048520 /nfs/dbraw/zinc/04/85/20/722048520.db2.gz VYSQJTOERUKDLU-YJBOKZPZSA-N 0 0 444.869 4.286 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C[C@H]21 ZINC001164960861 722048627 /nfs/dbraw/zinc/04/86/27/722048627.db2.gz XZOMHXDXRNQFAM-CRAIPNDOSA-N 0 0 444.869 4.286 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C[C@@H]21 ZINC001164959795 722048755 /nfs/dbraw/zinc/04/87/55/722048755.db2.gz SHFSHEWDZXNOHG-PWSUYJOCSA-N 0 0 435.780 4.243 20 0 IIADRN FC(F)(c1ccc(Cl)nn1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164958180 722049538 /nfs/dbraw/zinc/04/95/38/722049538.db2.gz MEUYLXIUDACAOF-UHFFFAOYSA-N 0 0 441.873 4.164 20 0 IIADRN FC(F)(c1nccc(Cl)n1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164959237 722049653 /nfs/dbraw/zinc/04/96/53/722049653.db2.gz QFRQEBKBWDPLCO-UHFFFAOYSA-N 0 0 441.873 4.164 20 0 IIADRN F[C@H](Oc1cccc(Cl)n1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164960391 722049866 /nfs/dbraw/zinc/04/98/66/722049866.db2.gz VRUXCAWJRLHMBQ-QFIPXVFZSA-N 0 0 438.894 4.351 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN([C@H](F)Oc2ccc(Cl)nc2)[C@@H]3C)c1 ZINC001164965665 722062896 /nfs/dbraw/zinc/06/28/96/722062896.db2.gz LKMVZJJWYAFOKT-VFNWGFHPSA-N 0 0 431.899 4.060 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc(C)nc(Cl)n2)[C@H]3C)c1 ZINC001164966288 722063009 /nfs/dbraw/zinc/06/30/09/722063009.db2.gz PYIGHWYNIKCEJY-HNNXBMFYSA-N 0 0 448.905 4.181 20 0 IIADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164967727 722078186 /nfs/dbraw/zinc/07/81/86/722078186.db2.gz KWIOMJPUZINZFD-UHFFFAOYSA-N 0 0 426.294 4.392 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164970400 722083188 /nfs/dbraw/zinc/08/31/88/722083188.db2.gz XXHKEHOXHXIELU-UHFFFAOYSA-N 0 0 443.237 4.338 20 0 IIADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C[C@H]2C1 ZINC001164977589 722084812 /nfs/dbraw/zinc/08/48/12/722084812.db2.gz XEFUCIPCHQPLAV-BJWYYQGGSA-N 0 0 446.929 4.473 20 0 IIADRN O=C(NC1CCC1)C1C[C@@H]2CN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C[C@H]2C1 ZINC001164972568 722085814 /nfs/dbraw/zinc/08/58/14/722085814.db2.gz LQLOEZFSBUWWIW-SEPYTNNBSA-N 0 0 444.938 4.056 20 0 IIADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C[C@H]2C1 ZINC001164977712 722085972 /nfs/dbraw/zinc/08/59/72/722085972.db2.gz XSMZBMCUKHARJK-IAGOWNOFSA-N 0 0 446.929 4.473 20 0 IIADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164971337 722091323 /nfs/dbraw/zinc/09/13/23/722091323.db2.gz BMGLWDBOKFSVTC-ZDUSSCGKSA-N 0 0 433.330 4.241 20 0 IIADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C2)C1=O ZINC001164983204 722161957 /nfs/dbraw/zinc/16/19/57/722161957.db2.gz ZJTSZCFKUCETMX-QFIPXVFZSA-N 0 0 440.881 4.466 20 0 IIADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C2)C1=O ZINC001164978564 722162234 /nfs/dbraw/zinc/16/22/34/722162234.db2.gz IMJQRLXXYAJYBJ-JOCHJYFZSA-N 0 0 440.881 4.466 20 0 IIADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C2)C1=O ZINC001164983099 722162676 /nfs/dbraw/zinc/16/26/76/722162676.db2.gz XTRVSJIRDZALBL-JOCHJYFZSA-N 0 0 440.881 4.466 20 0 IIADRN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164976016 722165647 /nfs/dbraw/zinc/16/56/47/722165647.db2.gz JBOUNYXYEPPNPX-MGPUTAFESA-N 0 0 440.922 4.491 20 0 IIADRN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164976015 722165676 /nfs/dbraw/zinc/16/56/76/722165676.db2.gz JBOUNYXYEPPNPX-FOIQADDNSA-N 0 0 440.922 4.491 20 0 IIADRN FC(F)(c1nc(Cl)nc2[nH]cnc21)N1C[C@@H]2c3ccccc3[C@@H](OCC3CC3)[C@@H]2C1 ZINC001164978732 722171318 /nfs/dbraw/zinc/17/13/18/722171318.db2.gz SBMUWSDIKNLSHA-BFYDXBDKSA-N 0 0 431.874 4.204 20 0 IIADRN FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1C[C@@H]2[C@@H](OCC3CC3)c3ccccc3[C@H]2C1 ZINC001164979647 722171419 /nfs/dbraw/zinc/17/14/19/722171419.db2.gz VDLCKIKQGAQCSD-VYDXJSESSA-N 0 0 431.874 4.204 20 0 IIADRN COc1ccc2nc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)c(C)cc2c1 ZINC001164983568 722174172 /nfs/dbraw/zinc/17/41/72/722174172.db2.gz BIXUNXYFECDUAV-XZOQPEGZSA-N 0 0 438.597 4.187 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5sc(C(C)C)cc54)CC[C@H]32)cs1 ZINC001164987270 722174291 /nfs/dbraw/zinc/17/42/91/722174291.db2.gz NIHMZUOTFXHJGL-RTBURBONSA-N 0 0 443.642 4.449 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4nc(Cl)ccc4F)CC[C@H]32)cs1 ZINC001164994504 722181154 /nfs/dbraw/zinc/18/11/54/722181154.db2.gz YYFIAXJOYMJUIL-CVEARBPZSA-N 0 0 446.926 4.054 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4nc(Cl)ccc4C)CC[C@@H]32)cs1 ZINC001164994497 722183893 /nfs/dbraw/zinc/18/38/93/722183893.db2.gz YXFIRNIWEQJWOX-DLBZAZTESA-N 0 0 442.963 4.223 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)cc(C(C)(C)C)n4)CC[C@@H]32)cs1 ZINC001164992365 722184576 /nfs/dbraw/zinc/18/45/76/722184576.db2.gz VZUDCCGAGNGXFI-IRXDYDNUSA-N 0 0 436.025 4.062 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc(-c5cc(C)ccc5C)nn4)CC[C@@H]32)cs1 ZINC001164990677 722185486 /nfs/dbraw/zinc/18/54/86/722185486.db2.gz RUWCZYYLDVVACJ-BJKOFHAPSA-N 0 0 449.624 4.395 20 0 IIADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164989757 722187433 /nfs/dbraw/zinc/18/74/33/722187433.db2.gz JNVBWNIGVRTMQX-OAHLLOKOSA-N 0 0 436.330 4.035 20 0 IIADRN CN(C)c1cc(Cl)nc(C(F)(F)N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164993267 722194788 /nfs/dbraw/zinc/19/47/88/722194788.db2.gz DVOHPZFXVSPEMD-FQEVSTJZSA-N 0 0 439.913 4.125 20 0 IIADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN([C@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164998863 722221389 /nfs/dbraw/zinc/22/13/89/722221389.db2.gz MFYHAGQPJRQQKH-UNMCSNQZSA-N 0 0 429.923 4.443 20 0 IIADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN([C@@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164998860 722221452 /nfs/dbraw/zinc/22/14/52/722221452.db2.gz MFYHAGQPJRQQKH-RBBKRZOGSA-N 0 0 429.923 4.443 20 0 IIADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)c1nccnc1Cl)CC2 ZINC001164996774 722221655 /nfs/dbraw/zinc/22/16/55/722221655.db2.gz AGGGJBIFAVKZOB-GOSISDBHSA-N 0 0 432.902 4.255 20 0 IIADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2ccc3ncnc(Cl)c3c2)n1 ZINC001164999366 722226347 /nfs/dbraw/zinc/22/63/47/722226347.db2.gz LREILTDBHCWMEH-QGZVFWFLSA-N 0 0 448.905 4.042 20 0 IIADRN CC(C)CN1c2ccccc2[C@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)CC[C@@H]21 ZINC001165004016 722245413 /nfs/dbraw/zinc/24/54/13/722245413.db2.gz MMEMXFBDZUKBNE-AEFFLSMTSA-N 0 0 434.918 4.217 20 0 IIADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001165000799 722247497 /nfs/dbraw/zinc/24/74/97/722247497.db2.gz LPBQUCVFMKKZET-UHFFFAOYSA-N 0 0 440.237 4.131 20 0 IIADRN FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@H](OCC2CC2)[C@H]1Cc1ccccc1 ZINC001165006833 722271968 /nfs/dbraw/zinc/27/19/68/722271968.db2.gz RGKNMDCSOHSMCJ-CVEARBPZSA-N 0 0 433.890 4.119 20 0 IIADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)c2cc(C)nnc2Cl)CC3)cs1 ZINC001165004853 722273024 /nfs/dbraw/zinc/27/30/24/722273024.db2.gz DDPDUFFYZLMLJA-HNNXBMFYSA-N 0 0 444.935 4.093 20 0 IIADRN C[N@@H+]1CCC[C@@H](CNC(=O)NC2(C(=O)[O-])CCCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576951 939137210 /nfs/dbraw/zinc/13/72/10/939137210.db2.gz CLGDVQMZGDQPDE-WMZOPIPTSA-N 0 0 441.494 4.175 20 0 IIADRN O=C([O-])[C@@]1(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCC[N@H+](Cc2ccccc2)C1 ZINC001123268572 939817480 /nfs/dbraw/zinc/81/74/80/939817480.db2.gz SQODKJGRLNEPCU-JOCHJYFZSA-N 0 0 446.334 4.324 20 0 IIADRN C[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC001123268546 939817595 /nfs/dbraw/zinc/81/75/95/939817595.db2.gz SJAZQDPLGCANLM-HXOBKFHXSA-N 0 0 448.485 4.435 20 0 IIADRN COc1c(Br)cc(Br)cc1C[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] ZINC000426691573 1126081534 /nfs/dbraw/zinc/08/15/34/1126081534.db2.gz JETAXMHZXGAHJQ-HNNXBMFYSA-N 0 0 443.135 4.006 20 0 IIADRN CCCOc1c(Cl)cc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1OC ZINC000426719379 1126082016 /nfs/dbraw/zinc/08/20/16/1126082016.db2.gz GDPZXTMWEOFTRF-GOSISDBHSA-N 0 0 449.931 4.084 20 0 IIADRN CCCOc1c(Cl)cc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1OC ZINC000426719380 1126082023 /nfs/dbraw/zinc/08/20/23/1126082023.db2.gz GDPZXTMWEOFTRF-SFHVURJKSA-N 0 0 449.931 4.084 20 0 IIADRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000426724823 1126082922 /nfs/dbraw/zinc/08/29/22/1126082922.db2.gz WCMIQUUGNQCMMR-QGZVFWFLSA-N 0 0 441.356 4.215 20 0 IIADRN Cc1cc(C)n(C[C@@H]([NH2+]Cc2ccc(-c3ccccc3Br)s2)C(=O)[O-])n1 ZINC000426740790 1126085465 /nfs/dbraw/zinc/08/54/65/1126085465.db2.gz BVDUUQGMOKNGPE-QGZVFWFLSA-N 0 0 434.359 4.234 20 0 IIADRN Cc1cnn(C[C@H]([NH2+]Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)[O-])c1 ZINC000426727674 1126083625 /nfs/dbraw/zinc/08/36/25/1126083625.db2.gz PMOKUTUAUMLTKS-FQEVSTJZSA-N 0 0 434.323 4.320 20 0 IIADRN COc1ccc(C[NH2+][C@H](Cc2c(F)cccc2Cl)C(=O)[O-])cc1OCc1cccnc1 ZINC000426741253 1126085595 /nfs/dbraw/zinc/08/55/95/1126085595.db2.gz DXCJTNQTOKJKRB-HXUWFJFHSA-N 0 0 444.890 4.247 20 0 IIADRN COc1ccc(C[NH2+][C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cc1Cl ZINC000426762645 1126088904 /nfs/dbraw/zinc/08/89/04/1126088904.db2.gz MDGNYZPJBVCXTC-INIZCTEOSA-N 0 0 437.721 4.378 20 0 IIADRN COc1cc(C[NH2+][C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])ccc1OCc1ccncc1 ZINC000426766959 1126089318 /nfs/dbraw/zinc/08/93/18/1126089318.db2.gz IOZFTLKVQSQSOU-JOCHJYFZSA-N 0 0 449.482 4.075 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000426770407 1126089372 /nfs/dbraw/zinc/08/93/72/1126089372.db2.gz ROVDGEIXVXJYNR-QHCPKHFHSA-N 0 0 428.467 4.431 20 0 IIADRN COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](Cc3cc(C)cc(C)c3)C(=O)[O-])c2)cc1 ZINC000426770429 1126089507 /nfs/dbraw/zinc/08/95/07/1126089507.db2.gz RVWDKTNOOSLUST-XMMPIXPASA-N 0 0 432.520 4.350 20 0 IIADRN COc1cc(C[NH2+][C@@H](Cc2cc(C)cc(C)c2)C(=O)[O-])ccc1OCc1c(C)noc1C ZINC000426770144 1126089531 /nfs/dbraw/zinc/08/95/31/1126089531.db2.gz PJUCQLGRXHMEFG-QFIPXVFZSA-N 0 0 438.524 4.281 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000426775289 1126089947 /nfs/dbraw/zinc/08/99/47/1126089947.db2.gz AGZPWDWGUJUSRP-KRWDZBQOSA-N 0 0 433.382 4.480 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000426789430 1126090728 /nfs/dbraw/zinc/09/07/28/1126090728.db2.gz UPHMBWVZFOLPQU-LJQANCHMSA-N 0 0 430.277 4.336 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(Cl)cc1Br ZINC000426792935 1126090893 /nfs/dbraw/zinc/09/08/93/1126090893.db2.gz LIRANNVYXRZBCG-OAHLLOKOSA-N 0 0 434.664 4.489 20 0 IIADRN Cc1cc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])sc1Br ZINC000426747652 1126086577 /nfs/dbraw/zinc/08/65/77/1126086577.db2.gz QVIRYPOUACQEEX-ZDUSSCGKSA-N 0 0 433.165 4.367 20 0 IIADRN O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000426749975 1126087035 /nfs/dbraw/zinc/08/70/35/1126087035.db2.gz JVLHUNBMAGROSQ-HSZRJFAPSA-N 0 0 430.533 4.204 20 0 IIADRN COc1ccc(C[NH2+][C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])c(Cl)c1 ZINC000426755481 1126087870 /nfs/dbraw/zinc/08/78/70/1126087870.db2.gz ZSBNPOFDCSVLOV-KRWDZBQOSA-N 0 0 437.721 4.378 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000426816310 1126092426 /nfs/dbraw/zinc/09/24/26/1126092426.db2.gz OFYGOVXNXQZNFH-LJQANCHMSA-N 0 0 442.288 4.403 20 0 IIADRN O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1cc(Cl)ccc1Br ZINC000426822360 1126092780 /nfs/dbraw/zinc/09/27/80/1126092780.db2.gz BMXRQRWYUAJVGF-HNNXBMFYSA-N 0 0 434.664 4.489 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000426823320 1126092838 /nfs/dbraw/zinc/09/28/38/1126092838.db2.gz CHHWYMOKBHZDDL-HXUWFJFHSA-N 0 0 425.485 4.128 20 0 IIADRN OC[C@]1(NCc2cnc(-c3ccc(Br)cc3)s2)CCOc2ccccc21 ZINC000441343950 1126093211 /nfs/dbraw/zinc/09/32/11/1126093211.db2.gz CWAWOZDRHHHRGA-HXUWFJFHSA-N 0 0 431.355 4.333 20 0 IIADRN CC(=O)N(c1nc(CNC2(CO)Cc3ccccc3C2)cs1)c1cccc(Cl)c1 ZINC000559394961 1126097271 /nfs/dbraw/zinc/09/72/71/1126097271.db2.gz NZKRFQNBFIKFHB-UHFFFAOYSA-N 0 0 427.957 4.101 20 0 IIADRN O[C@@H]([C@@H](Cc1ccccc1)NCc1csc(-c2ccc3c(c2)OCO3)n1)C(F)(F)F ZINC000604765784 1126099568 /nfs/dbraw/zinc/09/95/68/1126099568.db2.gz IIUWVCDLMIHNNO-APWZRJJASA-N 0 0 436.455 4.163 20 0 IIADRN COc1cccc2cc(C[NH2+][C@H](Cc3c[nH]c4ccc(Br)cc34)C(=O)[O-])oc21 ZINC000756333948 1126107173 /nfs/dbraw/zinc/10/71/73/1126107173.db2.gz VLFILCOHILCUOK-GOSISDBHSA-N 0 0 443.297 4.471 20 0 IIADRN COc1c(C)cc(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cc1C ZINC000756381560 1126108253 /nfs/dbraw/zinc/10/82/53/1126108253.db2.gz HRYCVVUPTYZYIX-GOSISDBHSA-N 0 0 431.330 4.341 20 0 IIADRN Cc1cc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])cc(C)c1OC(F)F ZINC000756385757 1126108397 /nfs/dbraw/zinc/10/83/97/1126108397.db2.gz SVWAOQHBFLYDJF-INIZCTEOSA-N 0 0 428.273 4.453 20 0 IIADRN COc1ccc(C[C@@](C)(CO)NCc2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 ZINC001176589602 1126149803 /nfs/dbraw/zinc/14/98/03/1126149803.db2.gz XQEUJTYSDMXWMX-DEOSSOPVSA-N 0 0 439.581 4.228 20 0 IIADRN CC(=O)N(c1nc(CN[C@H](CO)Cc2ccccc2C)cs1)c1ccc(F)cc1F ZINC001308696760 1126168364 /nfs/dbraw/zinc/16/83/64/1126168364.db2.gz PSQOTXCRDXDYQY-SFHVURJKSA-N 0 0 431.508 4.108 20 0 IIADRN CCOC(=O)c1c(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)occ1C(F)(F)F ZINC001460687211 1126191359 /nfs/dbraw/zinc/19/13/59/1126191359.db2.gz DHPWQUHVMZAZQS-CJNGLKHVSA-N 0 0 439.352 4.099 20 0 IIADRN CC(=O)N(c1nc(CN[C@@H](CO)Cc2ccccc2C)cs1)c1cccc(Cl)c1 ZINC001560761447 1126214088 /nfs/dbraw/zinc/21/40/88/1126214088.db2.gz IHSYFDXXSLVMTH-LJQANCHMSA-N 0 0 429.973 4.483 20 0 IIADRN COc1ccc(N(C(C)=O)c2nc(CN[C@@](C)(CO)Cc3ccccc3F)cs2)cc1 ZINC001560954381 1126214332 /nfs/dbraw/zinc/21/43/32/1126214332.db2.gz OOYJBKILGNLHBG-HSZRJFAPSA-N 0 0 443.544 4.059 20 0 IIADRN CCCn1c2nn(CN(Cc3ccc(OC)cc3)C3CC3)c(=S)n2c2ccccc2c1=O ZINC000012551127 521640261 /nfs/dbraw/zinc/64/02/61/521640261.db2.gz GNKOXBSJHCCYJM-UHFFFAOYSA-N 0 0 449.580 4.221 20 0 IIADRN C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000008787874 556215291 /nfs/dbraw/zinc/21/52/91/556215291.db2.gz RNHZDVZZXLUIKE-OAHLLOKOSA-N 0 0 426.505 4.419 20 0 IIADRN F[C@]1(N2CC[C@@]3(CCOC3)C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164389980 718807089 /nfs/dbraw/zinc/80/70/89/718807089.db2.gz MQUQMSGTCLADSH-RTWAWAEBSA-N 0 0 437.346 4.034 20 0 IIADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)C2 ZINC001164406922 718866959 /nfs/dbraw/zinc/86/69/59/718866959.db2.gz HUSYTBCCEZHAGY-UHFFFAOYSA-N 0 0 438.784 4.082 20 0 IIADRN O=C1CC2(CCN(c3ncnc4c3CN(Cc3ccccc3)CC4)CC2)c2cc(F)ccc21 ZINC001164425247 718936506 /nfs/dbraw/zinc/93/65/06/718936506.db2.gz UWZMVZNIUMOVER-UHFFFAOYSA-N 0 0 442.538 4.299 20 0 IIADRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN([C@H](F)c1ccnc(Cl)c1)CC2 ZINC001164427113 718953390 /nfs/dbraw/zinc/95/33/90/718953390.db2.gz ARHHUGMGQRHZPY-CTNGQTDRSA-N 0 0 431.939 4.200 20 0 IIADRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164432085 718976098 /nfs/dbraw/zinc/97/60/98/718976098.db2.gz FPQXNTGRTQFJBJ-ACJLOTCBSA-N 0 0 446.281 4.030 20 0 IIADRN CCOC(=O)[C@]12CCO[C@H]1CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164431833 718982003 /nfs/dbraw/zinc/98/20/03/718982003.db2.gz BVVTXAWGJRUEMC-PXNSSMCTSA-N 0 0 428.907 4.097 20 0 IIADRN CCOC(=O)[C@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)C2 ZINC001164433460 718982225 /nfs/dbraw/zinc/98/22/25/718982225.db2.gz LMYCRDZBGCSLFC-LPHOPBHVSA-N 0 0 426.847 4.088 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)COc4cccc(Cl)n4)C[C@@H]3O2)n1 ZINC001164641627 719261770 /nfs/dbraw/zinc/26/17/70/719261770.db2.gz VVTLEPARVFVJDY-XIRDDKMYSA-N 0 0 438.906 4.472 20 0 IIADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645519 719291561 /nfs/dbraw/zinc/29/15/61/719291561.db2.gz JSNKKIIXJFIOAY-ULQDDVLXSA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164650642 719291989 /nfs/dbraw/zinc/29/19/89/719291989.db2.gz ZLFJNKIAMIXRKZ-JZXOWHBKSA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164650334 719293309 /nfs/dbraw/zinc/29/33/09/719293309.db2.gz YZZWLFAMKXAYDE-UXLLHSPISA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164647234 719295007 /nfs/dbraw/zinc/29/50/07/719295007.db2.gz DBJPDWQQQKSOCM-BJLQDIEVSA-N 0 0 446.885 4.176 20 0 IIADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C[C@H]3O2)n1 ZINC001164655658 719298350 /nfs/dbraw/zinc/29/83/50/719298350.db2.gz UMJHCJVWGFIWCP-LEWSCRJBSA-N 0 0 439.825 4.015 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1cncc(OCc3cccc(Cl)c3)n1)CC2 ZINC001164654073 719317507 /nfs/dbraw/zinc/31/75/07/719317507.db2.gz NZULWDKEKRLVJI-UHFFFAOYSA-N 0 0 440.979 4.111 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3sccc31)CC2 ZINC001164661623 719345607 /nfs/dbraw/zinc/34/56/07/719345607.db2.gz LWDBOJPAOBDFMW-UHFFFAOYSA-N 0 0 430.581 4.386 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)cc1Cl)CC2 ZINC001164663804 719346118 /nfs/dbraw/zinc/34/61/18/719346118.db2.gz MJFVTNMRXOCUFD-UHFFFAOYSA-N 0 0 443.382 4.478 20 0 IIADRN C=C(OCC)c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)nn1 ZINC001164662931 719350418 /nfs/dbraw/zinc/35/04/18/719350418.db2.gz BDQBMGVFRKTOOH-UHFFFAOYSA-N 0 0 444.583 4.179 20 0 IIADRN CCCc1cc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)nc(C)n1 ZINC001164658038 719352000 /nfs/dbraw/zinc/35/20/00/719352000.db2.gz BVIWTTGPTPBSKW-UHFFFAOYSA-N 0 0 430.600 4.432 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3nc[nH]c3cc1Cl)CC2 ZINC001164660681 719352080 /nfs/dbraw/zinc/35/20/80/719352080.db2.gz WYAACHLTKFGNKE-UHFFFAOYSA-N 0 0 447.974 4.306 20 0 IIADRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164665552 719360642 /nfs/dbraw/zinc/36/06/42/719360642.db2.gz YWNWXHPMTQURKE-MRXNPFEDSA-N 0 0 433.890 4.309 20 0 IIADRN CCOC[C@@H]1CN(C(F)(F)c2ccc(OC)nc2Cl)Cc2nn(CC3CC3)cc21 ZINC001164665091 719363551 /nfs/dbraw/zinc/36/35/51/719363551.db2.gz VBPAAJGEFTYERU-AWEZNQCLSA-N 0 0 426.895 4.035 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)c2ccnc(Cl)c2)CC3)cc1 ZINC001164667380 719492442 /nfs/dbraw/zinc/49/24/42/719492442.db2.gz KXDVKKAMSBFNRJ-UHFFFAOYSA-N 0 0 425.882 4.290 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2cncc(OCc4ccccc4)n2)CC3)cc1 ZINC001164672329 719497838 /nfs/dbraw/zinc/49/78/38/719497838.db2.gz KXYWAVVIACINSW-UHFFFAOYSA-N 0 0 448.542 4.066 20 0 IIADRN COc1ccccc1-c1ccc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nn1 ZINC001164672776 719523539 /nfs/dbraw/zinc/52/35/39/719523539.db2.gz NUAFYTBPZDEANN-UHFFFAOYSA-N 0 0 448.542 4.163 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2ccc(COC4CCC4)cn2)CC3)cc1 ZINC001164679119 719527582 /nfs/dbraw/zinc/52/75/82/719527582.db2.gz TXLRCMIGBFJLQO-UHFFFAOYSA-N 0 0 425.548 4.161 20 0 IIADRN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(C(F)(F)c2cccc3c(Cl)nccc32)C1)N1CCCC1 ZINC001164679257 719541295 /nfs/dbraw/zinc/54/12/95/719541295.db2.gz WLBTUWVXMBNZBQ-CCKFTAQKSA-N 0 0 435.902 4.039 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C[C@@H]2COc1cccnc1 ZINC001164688531 719601833 /nfs/dbraw/zinc/60/18/33/719601833.db2.gz XGWJQHQOLXCFAY-OAHLLOKOSA-N 0 0 445.901 4.469 20 0 IIADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cccc3ccnc(Cl)c32)N1Cc1cccnc1 ZINC001164692852 719768713 /nfs/dbraw/zinc/76/87/13/719768713.db2.gz VYIXGOYLXZKLEW-ROUUACIJSA-N 0 0 428.870 4.208 20 0 IIADRN CC(C)Oc1ncnc2c1CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)CC2 ZINC001164693622 719790327 /nfs/dbraw/zinc/79/03/27/719790327.db2.gz BPWBNYONMWCKOH-UHFFFAOYSA-N 0 0 437.853 4.150 20 0 IIADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2cc(N)cc(Cl)n2)CC3)cs1 ZINC001164694419 719810488 /nfs/dbraw/zinc/81/04/88/719810488.db2.gz XFHOXHQXEIGSLC-UHFFFAOYSA-N 0 0 427.952 4.262 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3F)nnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164709540 720066759 /nfs/dbraw/zinc/06/67/59/720066759.db2.gz ABGBTMCIEJZICY-KSZLIROESA-N 0 0 427.854 4.254 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)ncc2Cl)cs1 ZINC001164817783 720250642 /nfs/dbraw/zinc/25/06/42/720250642.db2.gz UPMRTHQKFFJGNU-CABCVRRESA-N 0 0 447.338 4.468 20 0 IIADRN O=C1N(CC2CC2)CC[C@]12CCCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164818137 720282732 /nfs/dbraw/zinc/28/27/32/720282732.db2.gz IJEKNGHRJNAEEH-PKTZIBPZSA-N 0 0 444.938 4.153 20 0 IIADRN COc1ccc(C(F)(F)N2C[C@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)nc1Cl ZINC001164826742 720389998 /nfs/dbraw/zinc/38/99/98/720389998.db2.gz XMKGRSADRJGEEY-KMFMINBZSA-N 0 0 445.919 4.006 20 0 IIADRN FC(F)(COc1cncc(Cl)n1)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164831599 720396239 /nfs/dbraw/zinc/39/62/39/720396239.db2.gz WSPRQHRMQLZNKZ-GOSISDBHSA-N 0 0 444.860 4.339 20 0 IIADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3nc(Cl)c4cccc(F)c4n3)O2)n1 ZINC001164829716 720402863 /nfs/dbraw/zinc/40/28/63/720402863.db2.gz OAEDQNABZAFFEG-RDBSUJKOSA-N 0 0 439.825 4.158 20 0 IIADRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3ccc([Si](C)(C)C)c(Cl)n3)O2)n1 ZINC001164829199 720406529 /nfs/dbraw/zinc/40/65/29/720406529.db2.gz LZMKQSZMYCUMIU-MJBXVCDLSA-N 0 0 442.970 4.016 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc(Cl)nc3Cl)CC[C@H]21)N1CCCCC1 ZINC001164834772 720497277 /nfs/dbraw/zinc/49/72/77/720497277.db2.gz UQFNLRDHTDVABD-FMKPAKJESA-N 0 0 448.341 4.177 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)CC[C@H]21)N1CCCCC1 ZINC001164830678 720498023 /nfs/dbraw/zinc/49/80/23/720498023.db2.gz CJOGZXZHUFGGKM-LXZKKBNFSA-N 0 0 448.341 4.177 20 0 IIADRN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164734677 720542155 /nfs/dbraw/zinc/54/21/55/720542155.db2.gz KGRSGQMPRBEJOA-VLIAUNLRSA-N 0 0 449.889 4.006 20 0 IIADRN CC[C@@H]1N(c2nc(CN(CC)CC)nc3sc(C)c(C)c32)CCC[C@@]12CCC(=O)N2 ZINC001164846802 720754890 /nfs/dbraw/zinc/75/48/90/720754890.db2.gz KDBRNGZRJMHHMB-GAJHUEQPSA-N 0 0 429.634 4.178 20 0 IIADRN O=C1CC[C@@H]2[C@@H](CCN2C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)N1c1ccccc1 ZINC001164843842 720762760 /nfs/dbraw/zinc/76/27/60/720762760.db2.gz AWHDWRQMGIGCIM-IAGOWNOFSA-N 0 0 447.917 4.049 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)n1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164848598 720770185 /nfs/dbraw/zinc/77/01/85/720770185.db2.gz PYDDHYSWGKYBJY-ZNMIVQPWSA-N 0 0 445.297 4.066 20 0 IIADRN Fc1cc(C(F)(F)N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)cnc1Cl ZINC001164850965 720773364 /nfs/dbraw/zinc/77/33/64/720773364.db2.gz YKBGCTIVFDHXJY-NXHRZFHOSA-N 0 0 427.854 4.157 20 0 IIADRN COc1ccc(C(F)(F)N2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)nc1Cl ZINC001164851464 720807675 /nfs/dbraw/zinc/80/76/75/720807675.db2.gz LHZZRUJRACDDDP-OAQYLSRUSA-N 0 0 435.902 4.226 20 0 IIADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4cc(C5CC5)nnc4Cl)C3)C2=O)c1 ZINC001164851262 720808442 /nfs/dbraw/zinc/80/84/42/720808442.db2.gz KKZMERBKAJHZCU-QFIPXVFZSA-N 0 0 446.929 4.490 20 0 IIADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C2)CC1 ZINC001164857788 720893923 /nfs/dbraw/zinc/89/39/23/720893923.db2.gz JWGOLJOKEQBJFU-UHFFFAOYSA-N 0 0 441.309 4.461 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C1)C[C@@H](NC(=O)c1ccccc1)CCO2 ZINC001164859416 720899643 /nfs/dbraw/zinc/89/96/43/720899643.db2.gz QDWIZIWZCZSDAS-UWJYYQICSA-N 0 0 435.902 4.146 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1CC[C@]2(C1)C[C@@H](NC(=O)c1ccccc1)CCO2 ZINC001164860534 720899962 /nfs/dbraw/zinc/89/99/62/720899962.db2.gz RXUBSZIBEIFBLQ-LAUBAEHRSA-N 0 0 435.902 4.146 20 0 IIADRN FC(F)(c1cccc2c(Cl)ncnc21)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001164758520 720980373 /nfs/dbraw/zinc/98/03/73/720980373.db2.gz VSTFXAGWSOJJCX-OAHLLOKOSA-N 0 0 433.890 4.088 20 0 IIADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001164756118 721005418 /nfs/dbraw/zinc/00/54/18/721005418.db2.gz FDWBOUNVSCIAIJ-SXLOBPIMSA-N 0 0 431.870 4.249 20 0 IIADRN FC(F)(c1cc2ccccc2nc1Cl)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@@H]21 ZINC001164760322 721007741 /nfs/dbraw/zinc/00/77/41/721007741.db2.gz OKTHHTRSGHUHEX-UXPWSPDFSA-N 0 0 431.870 4.249 20 0 IIADRN COc1ccc(C(F)(F)N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)nc1Cl ZINC001164770516 721029129 /nfs/dbraw/zinc/02/91/29/721029129.db2.gz YJVHRGFXNBZSOZ-JXFKEZNVSA-N 0 0 439.890 4.028 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)cc2Cl)n1 ZINC001164769518 721050702 /nfs/dbraw/zinc/05/07/02/721050702.db2.gz JJWPENNRUCSSSZ-HOTGVXAUSA-N 0 0 427.282 4.017 20 0 IIADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164870023 721221827 /nfs/dbraw/zinc/22/18/27/721221827.db2.gz DXGYNEJQZRITEU-UHFFFAOYSA-N 0 0 434.918 4.039 20 0 IIADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164875073 721247731 /nfs/dbraw/zinc/24/77/31/721247731.db2.gz LVPJYSNCAXGQTF-AHRSYUTCSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164872251 721248415 /nfs/dbraw/zinc/24/84/15/721248415.db2.gz CSIHHRLOMXVSCQ-QGTPRVQTSA-N 0 0 434.874 4.362 20 0 IIADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164876048 721249244 /nfs/dbraw/zinc/24/92/44/721249244.db2.gz NFLFBJNBZYOCRV-SXLOBPIMSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(Sc1ccc(Cl)nc1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164876130 721252852 /nfs/dbraw/zinc/25/28/52/721252852.db2.gz NZCVYUOBOQQWQL-XIRDDKMYSA-N 0 0 427.904 4.473 20 0 IIADRN O=C(NC[C@H]1CCC[C@@]2(CCN(C(F)(F)c3cccc(Cl)n3)C2)O1)c1ccccc1 ZINC001164871880 721253333 /nfs/dbraw/zinc/25/33/33/721253333.db2.gz BCOLAPSSSKBEJF-UTKZUKDTSA-N 0 0 435.902 4.228 20 0 IIADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164873420 721253392 /nfs/dbraw/zinc/25/33/92/721253392.db2.gz IJPOHTWSLWBRBP-YSGRDPCXSA-N 0 0 435.902 4.369 20 0 IIADRN Cc1ccc(C(F)(F)N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)nc1Cl ZINC001164877318 721297463 /nfs/dbraw/zinc/29/74/63/721297463.db2.gz MKSTXIVFVMTBCW-GDBMZVCRSA-N 0 0 441.931 4.017 20 0 IIADRN O=C1CCC2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)CC2)N1CC1CC1 ZINC001164775916 721306881 /nfs/dbraw/zinc/30/68/81/721306881.db2.gz LBDMBHHOBZAOEZ-UHFFFAOYSA-N 0 0 447.917 4.108 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164879460 721311410 /nfs/dbraw/zinc/31/14/10/721311410.db2.gz MVLGWMSIPWGOPI-NIKGAXFTSA-N 0 0 446.885 4.286 20 0 IIADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164881105 721312553 /nfs/dbraw/zinc/31/25/53/721312553.db2.gz UTASDNURTLIRGN-AEGPPILISA-N 0 0 430.282 4.391 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)c1 ZINC001164881684 721313950 /nfs/dbraw/zinc/31/39/50/721313950.db2.gz XJUGWHPXLKTREV-IAOVAPTHSA-N 0 0 441.931 4.460 20 0 IIADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164879505 721314794 /nfs/dbraw/zinc/31/47/94/721314794.db2.gz NBHJEEMVFWSICU-BMGDILEWSA-N 0 0 446.885 4.286 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164878780 721318479 /nfs/dbraw/zinc/31/84/79/721318479.db2.gz PMBZCNQOMWITJO-KRWDZBQOSA-N 0 0 432.902 4.053 20 0 IIADRN CCN1CC[C@@]2(CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C[C@H]2C)C1=O ZINC001164777243 721321441 /nfs/dbraw/zinc/32/14/41/721321441.db2.gz JBTDPZZVXAJIRI-XIKOKIGWSA-N 0 0 426.920 4.098 20 0 IIADRN CCN1CC[C@]2(CN(c3nc(CN(C)C)nc4scc(-c5ccccc5)c43)C[C@@H]2C)C1=O ZINC001164779017 721322042 /nfs/dbraw/zinc/32/20/42/721322042.db2.gz TVXXNQZTPJUTJA-SSOJOUAXSA-N 0 0 449.624 4.115 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3cc(-c4cccc(C)c4)nnc3Cl)C[C@H]2C)C1=O ZINC001164775877 721323066 /nfs/dbraw/zinc/32/30/66/721323066.db2.gz AHJFAXTZLCDDFV-QVKFZJNVSA-N 0 0 434.918 4.345 20 0 IIADRN Fc1cccnc1O[C@@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164778964 721324970 /nfs/dbraw/zinc/32/49/70/721324970.db2.gz SCFKBZQUWKVRNP-NSHDSACASA-N 0 0 449.260 4.069 20 0 IIADRN O=C(c1ccccc1)N1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C[C@@H]2C1 ZINC001164883427 721353197 /nfs/dbraw/zinc/35/31/97/721353197.db2.gz LQUZVJUKSKQBPL-FXAWDEMLSA-N 0 0 447.913 4.135 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncc4ccc(Cl)cc4n3)C2)C1 ZINC001164782965 721354549 /nfs/dbraw/zinc/35/45/49/721354549.db2.gz OIGGDZXVIPUCMC-HSZRJFAPSA-N 0 0 441.963 4.007 20 0 IIADRN O=C1C[C@@H]2[C@@H](CCN2[C@@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)N1c1ccsc1 ZINC001164883240 721359400 /nfs/dbraw/zinc/35/94/00/721359400.db2.gz OOZZCVAHANAFEL-DBXWQHBBSA-N 0 0 444.919 4.370 20 0 IIADRN O=C1CO[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@@H]2N1c1cccc(F)c1 ZINC001164883917 721365646 /nfs/dbraw/zinc/36/56/46/721365646.db2.gz RYQHZCIXKFCYIQ-RBUKOAKNSA-N 0 0 447.844 4.193 20 0 IIADRN CSc1ccc(Oc2cc(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)ncn2)cc1 ZINC001164790195 721421714 /nfs/dbraw/zinc/42/17/14/721421714.db2.gz WNSCMKQCDRXSEY-IYBDPMFKSA-N 0 0 425.583 4.016 20 0 IIADRN C[C@H]1CCCCN1c1nc2ccccc2nc1N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164791013 721425694 /nfs/dbraw/zinc/42/56/94/721425694.db2.gz ZANXYLKTSLNXQH-GBESFXJTSA-N 0 0 434.613 4.033 20 0 IIADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164787986 721427876 /nfs/dbraw/zinc/42/78/76/721427876.db2.gz RPYHUZFWHPLETM-IYBDPMFKSA-N 0 0 447.942 4.367 20 0 IIADRN Fc1ccccc1Oc1nc(Cl)ncc1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164784865 721436421 /nfs/dbraw/zinc/43/64/21/721436421.db2.gz MTHWTLRLCXBPHL-ZIAGYGMSSA-N 0 0 431.924 4.086 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2nccnc2Cl)CCO3)cs1 ZINC001164787279 721444810 /nfs/dbraw/zinc/44/48/10/721444810.db2.gz WQNAQMRXVCDWKF-KSSFIOAISA-N 0 0 444.935 4.032 20 0 IIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)CC[C@@H]21 ZINC001164890166 721463108 /nfs/dbraw/zinc/46/31/08/721463108.db2.gz JETFJWOPXVXQRH-WFASDCNBSA-N 0 0 426.870 4.050 20 0 IIADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3nc(Cl)ncc3Cl)CC2)C1=O ZINC001164892562 721471784 /nfs/dbraw/zinc/47/17/84/721471784.db2.gz GLCDQONQJKWNTQ-UHFFFAOYSA-N 0 0 441.309 4.130 20 0 IIADRN CCOC[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)Cc2cnn(C)c21 ZINC001164793506 721477281 /nfs/dbraw/zinc/47/72/81/721477281.db2.gz WLOAFTJUWYTJSJ-LBPRGKRZSA-N 0 0 442.297 4.355 20 0 IIADRN CCOC[C@@H]1CN(c2nc(CN(CC)CC)nc3sc(C)c(C)c32)Cc2cnn(C)c21 ZINC001164790303 721477584 /nfs/dbraw/zinc/47/75/84/721477584.db2.gz DHMXBAVDHGMEBO-SFHVURJKSA-N 0 0 442.633 4.024 20 0 IIADRN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CC2 ZINC001164900609 721488859 /nfs/dbraw/zinc/48/88/59/721488859.db2.gz QSYOXPBTAOVUKO-MRXNPFEDSA-N 0 0 449.929 4.477 20 0 IIADRN Fc1cccnc1OC[C@]12COC[C@H]1CN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164793131 721489274 /nfs/dbraw/zinc/48/92/74/721489274.db2.gz OALDQFSLLUDWIM-QRWLVFNGSA-N 0 0 439.865 4.223 20 0 IIADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164899257 721500394 /nfs/dbraw/zinc/50/03/94/721500394.db2.gz XXBDYGLAMQOXCG-OAHLLOKOSA-N 0 0 436.330 4.081 20 0 IIADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164897469 721502806 /nfs/dbraw/zinc/50/28/06/721502806.db2.gz MAXIHORAHIRJAM-GOSISDBHSA-N 0 0 441.950 4.305 20 0 IIADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)c1 ZINC001164795300 721506535 /nfs/dbraw/zinc/50/65/35/721506535.db2.gz KIWPUMOTCBQCJH-QRWLVFNGSA-N 0 0 437.874 4.147 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccc(Cl)cc3)nn2)[C@H]2CCCO[C@H]12 ZINC001164800647 721533963 /nfs/dbraw/zinc/53/39/63/721533963.db2.gz CVEKKJIKFPGTGW-ZDXQCDESSA-N 0 0 435.959 4.060 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(Cl)c32)[C@@H]2CCCO[C@H]12 ZINC001164802280 721554339 /nfs/dbraw/zinc/55/43/39/721554339.db2.gz IAAYIBKBWJTPCO-GGPKGHCWSA-N 0 0 444.366 4.200 20 0 IIADRN Cc1cc2nc(Cl)c(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nc2cc1C ZINC001164804656 721564195 /nfs/dbraw/zinc/56/41/95/721564195.db2.gz LHVPAGSBVZLPFK-BHIFYINESA-N 0 0 437.975 4.163 20 0 IIADRN CN(C)C(=O)[C@H]1CC12CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)CC2 ZINC001164906825 721569151 /nfs/dbraw/zinc/56/91/51/721569151.db2.gz KZZCSLUGAWJTKV-CYBMUJFWSA-N 0 0 429.298 4.176 20 0 IIADRN CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1C(C)(C)c1ccnc(Cl)c1 ZINC001164902201 721578822 /nfs/dbraw/zinc/57/88/22/721578822.db2.gz CSRDLKRBZSCPGI-HXUWFJFHSA-N 0 0 432.996 4.229 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)Sc2ccc(Cl)nc2)[C@H]2CCCO[C@H]12 ZINC001164805811 721590383 /nfs/dbraw/zinc/59/03/83/721590383.db2.gz LXYBRPINQOUPJJ-SCTDSRPQSA-N 0 0 440.947 4.136 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CC3)c2)[C@@H]2CCCO[C@H]12 ZINC001164803392 721591921 /nfs/dbraw/zinc/59/19/21/721591921.db2.gz HXXIGQXDVBLHLM-NJYVYQBISA-N 0 0 448.945 4.421 20 0 IIADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164803816 721607565 /nfs/dbraw/zinc/60/75/65/721607565.db2.gz KMRLMDPEVGGRST-RXVVDRJESA-N 0 0 448.901 4.084 20 0 IIADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001165016531 721761097 /nfs/dbraw/zinc/76/10/97/721761097.db2.gz XFBCBWGMWDDJCJ-IMJJTQAJSA-N 0 0 430.282 4.112 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccc(F)cc3)nn1)C2 ZINC001164911149 721761507 /nfs/dbraw/zinc/76/15/07/721761507.db2.gz NBUXPFMMNBJMAP-UHFFFAOYSA-N 0 0 429.499 4.465 20 0 IIADRN COc1ccccc1-c1cc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)ncn1 ZINC001164909564 721762135 /nfs/dbraw/zinc/76/21/35/721762135.db2.gz CESRZPCBLMPVLZ-UHFFFAOYSA-N 0 0 441.535 4.335 20 0 IIADRN Fc1ccccc1-c1cc(C(F)(F)N2C[C@H](OCC3CC3)[C@@H]3COC[C@@H]32)c(Cl)nn1 ZINC001165015204 721764844 /nfs/dbraw/zinc/76/48/44/721764844.db2.gz NTDFZGUTLUDALG-CCKFTAQKSA-N 0 0 439.865 4.111 20 0 IIADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@@H]4COC[C@H]43)c(Cl)nn2)cc1 ZINC001165015361 721764992 /nfs/dbraw/zinc/76/49/92/721764992.db2.gz OVMDRPMGTBZWRJ-LZQZEXGQSA-N 0 0 439.865 4.111 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3[nH]c4cc(F)ccc4c31)C2 ZINC001164912547 721766026 /nfs/dbraw/zinc/76/60/26/721766026.db2.gz ZJSGMXAKHUAMEK-UHFFFAOYSA-N 0 0 442.498 4.433 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)[C@H]2C1 ZINC001165020583 721769237 /nfs/dbraw/zinc/76/92/37/721769237.db2.gz YRHAKUBINLMWEQ-DYVFJYSZSA-N 0 0 432.858 4.162 20 0 IIADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3nc4ccsc4c(Cl)n3)[C@@H]2C1 ZINC001165014541 721769679 /nfs/dbraw/zinc/76/96/79/721769679.db2.gz DEQZBZFOIIRIDJ-WCQYABFASA-N 0 0 438.887 4.224 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)Oc1ccc2c(Cl)ncnc2c1 ZINC001165021173 721771291 /nfs/dbraw/zinc/77/12/91/721771291.db2.gz ZYSIZCXCWODMQN-GUYCJALGSA-N 0 0 448.857 4.042 20 0 IIADRN O=C1[C@@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C[C@H]2CN1c1cccnc1 ZINC001165020776 721791773 /nfs/dbraw/zinc/79/17/73/721791773.db2.gz LRUIKKOIZQDLQG-GXSJLCMTSA-N 0 0 433.673 4.081 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164918048 721805533 /nfs/dbraw/zinc/80/55/33/721805533.db2.gz ZWEGZRRIGZECJF-OXJNMPFZSA-N 0 0 432.858 4.040 20 0 IIADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164916564 721805563 /nfs/dbraw/zinc/80/55/63/721805563.db2.gz QWYLGTCNKRQIIL-UZLBHIALSA-N 0 0 432.858 4.040 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164915457 721808744 /nfs/dbraw/zinc/80/87/44/721808744.db2.gz AWIPIRWNDDCAHA-AXAPSJFSSA-N 0 0 433.883 4.076 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164915463 721809135 /nfs/dbraw/zinc/80/91/35/721809135.db2.gz AWIPIRWNDDCAHA-PVXIVEMSSA-N 0 0 433.883 4.076 20 0 IIADRN Fc1cc(C(F)(F)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)cnc1Cl ZINC001164918569 721809895 /nfs/dbraw/zinc/80/98/95/721809895.db2.gz RNWHXPUIMQFDSO-DIOULYMOSA-N 0 0 433.883 4.076 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)c1 ZINC001164915791 721810575 /nfs/dbraw/zinc/81/05/75/721810575.db2.gz BWMAWHBNUCNYQJ-QWQRMKEZSA-N 0 0 429.920 4.245 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2cc3ccccc3nc2Cl)CC1 ZINC001164917673 721817422 /nfs/dbraw/zinc/81/74/22/721817422.db2.gz GUTNYCGYCSSOQS-UHFFFAOYSA-N 0 0 431.918 4.379 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)CC[C@H]21)NC1CCC1 ZINC001164934911 721896461 /nfs/dbraw/zinc/89/64/61/721896461.db2.gz UENYUBYFLPPVAJ-SUMDDJOVSA-N 0 0 449.929 4.333 20 0 IIADRN O=C(C1=CC2(CCN(C(F)(F)c3cnc(Cl)cn3)CC2)c2ccccc21)N1CCCC1 ZINC001164926429 721899365 /nfs/dbraw/zinc/89/93/65/721899365.db2.gz ALVWMPHMZQBIEI-UHFFFAOYSA-N 0 0 444.913 4.233 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1ccc3c(Cl)ncnc3c1)C2 ZINC001164935819 721910737 /nfs/dbraw/zinc/91/07/37/721910737.db2.gz PMSFNVKACXCKIM-DYVFJYSZSA-N 0 0 446.860 4.318 20 0 IIADRN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CCN(C[C@H]2CCCO2)CC1 ZINC001165043125 721920776 /nfs/dbraw/zinc/92/07/76/721920776.db2.gz HJLQDFLTQYACNQ-HXUWFJFHSA-N 0 0 437.918 4.160 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(Cl)nc4cc(Cl)ccc43)C[C@H]21 ZINC001164942567 721942312 /nfs/dbraw/zinc/94/23/12/721942312.db2.gz KTVHKWMDRBJWHM-UXHICEINSA-N 0 0 433.339 4.236 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@@H]21 ZINC001164943379 721949664 /nfs/dbraw/zinc/94/96/64/721949664.db2.gz NWXUMXZRHBZXKU-OALUTQOASA-N 0 0 448.901 4.128 20 0 IIADRN Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCN(CCOc3ccccc3)CC2)c1 ZINC001165044271 721959712 /nfs/dbraw/zinc/95/97/12/721959712.db2.gz HFUHROJXWRHCPO-UHFFFAOYSA-N 0 0 428.895 4.262 20 0 IIADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@@H]12 ZINC001164943343 721965103 /nfs/dbraw/zinc/96/51/03/721965103.db2.gz FQWJFRMRTCDVJX-BEFAXECRSA-N 0 0 441.309 4.097 20 0 IIADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@H]12 ZINC001164943345 721965201 /nfs/dbraw/zinc/96/52/01/721965201.db2.gz FQWJFRMRTCDVJX-HNAYVOBHSA-N 0 0 441.309 4.097 20 0 IIADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3nc(Cl)ccc3CN3CCCC3)C[C@@H]12 ZINC001164948335 721966692 /nfs/dbraw/zinc/96/66/92/721966692.db2.gz TZLFQSTVIOTERJ-RDGATRHJSA-N 0 0 439.003 4.100 20 0 IIADRN CC1(C)C(=O)NCCN1C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001165052699 721995261 /nfs/dbraw/zinc/99/52/61/721995261.db2.gz WQOXWFPNTAZLIK-UHFFFAOYSA-N 0 0 434.796 4.076 20 0 IIADRN FC(F)(F)c1nnc(N2CCN(C(F)(F)Sc3ccc(Cl)nc3)CC2)s1 ZINC001165052367 721999416 /nfs/dbraw/zinc/99/94/16/721999416.db2.gz QTTFTESGNGVXDX-UHFFFAOYSA-N 0 0 431.843 4.070 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1c[nH]c2nc(Cl)ccc12 ZINC001164956281 722028626 /nfs/dbraw/zinc/02/86/26/722028626.db2.gz DEOJFYWLNXLXTR-UXLLHSPISA-N 0 0 438.837 4.111 20 0 IIADRN O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)C2 ZINC001164962008 722033521 /nfs/dbraw/zinc/03/35/21/722033521.db2.gz WUJZLXJMEKOSPC-XMSQKQJNSA-N 0 0 442.897 4.361 20 0 IIADRN O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001164956304 722033580 /nfs/dbraw/zinc/03/35/80/722033580.db2.gz DMEGRSODJVCXFX-KNQAVFIVSA-N 0 0 442.897 4.361 20 0 IIADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@H]3O2)n1 ZINC001164959670 722043272 /nfs/dbraw/zinc/04/32/72/722043272.db2.gz IZIBKWQJCCQHHD-RVSPLBMKSA-N 0 0 436.846 4.068 20 0 IIADRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C3)CC2=O)s1 ZINC001164964313 722044529 /nfs/dbraw/zinc/04/45/29/722044529.db2.gz UCMOUAGUGRWXLQ-SFHVURJKSA-N 0 0 437.903 4.160 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C[C@H]21 ZINC001164959779 722048719 /nfs/dbraw/zinc/04/87/19/722048719.db2.gz SHFSHEWDZXNOHG-CMPLNLGQSA-N 0 0 435.780 4.243 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001164959521 722050562 /nfs/dbraw/zinc/05/05/62/722050562.db2.gz LUUHPWRWZBQEBG-UHFFFAOYSA-N 0 0 442.857 4.137 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)Oc2ccc(Cl)nc2)[C@H]3C)c1 ZINC001164965595 722062885 /nfs/dbraw/zinc/06/28/85/722062885.db2.gz KZEWNNXVEAWCQY-HNNXBMFYSA-N 0 0 449.889 4.358 20 0 IIADRN O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cccc2ccnc(Cl)c21 ZINC001164964491 722064767 /nfs/dbraw/zinc/06/47/67/722064767.db2.gz HAWSTQAXPPTXJE-HZPDHXFCSA-N 0 0 434.899 4.383 20 0 IIADRN CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164966200 722066243 /nfs/dbraw/zinc/06/62/43/722066243.db2.gz YADLVFPWMPTFLD-UHFFFAOYSA-N 0 0 449.354 4.381 20 0 IIADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164969076 722083123 /nfs/dbraw/zinc/08/31/23/722083123.db2.gz JROMPHQXOLYRCO-UHFFFAOYSA-N 0 0 443.237 4.338 20 0 IIADRN CC(=O)N1CCC[C@@]2(C1)CN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)CCO2 ZINC001164970540 722083479 /nfs/dbraw/zinc/08/34/79/722083479.db2.gz YUELCZRNNRXEHA-LJQANCHMSA-N 0 0 444.309 4.304 20 0 IIADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C[C@@H]2C1 ZINC001164970745 722085965 /nfs/dbraw/zinc/08/59/65/722085965.db2.gz GPUUJSXOCXHMBD-RYUDHWBXSA-N 0 0 437.840 4.430 20 0 IIADRN CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)n1 ZINC001164974182 722091142 /nfs/dbraw/zinc/09/11/42/722091142.db2.gz NMGOKWHLFNZIDF-CQSZACIVSA-N 0 0 444.979 4.310 20 0 IIADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CC2 ZINC001164978820 722091653 /nfs/dbraw/zinc/09/16/53/722091653.db2.gz YCCYJQNWUPKFIT-HNNXBMFYSA-N 0 0 449.933 4.136 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3Cl)C[C@@H]21 ZINC001164977940 722097116 /nfs/dbraw/zinc/09/71/16/722097116.db2.gz IPSVNOYLPNICOA-GRDNDAEWSA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)Sc3ccc(Cl)nc3)C[C@H]21 ZINC001164976435 722098341 /nfs/dbraw/zinc/09/83/41/722098341.db2.gz DCIHZFGDMJNEBR-LZLYRXPVSA-N 0 0 438.931 4.419 20 0 IIADRN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164973510 722165385 /nfs/dbraw/zinc/16/53/85/722165385.db2.gz BOPVVQNWAOYOSN-RDTXWAMCSA-N 0 0 433.952 4.298 20 0 IIADRN CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3c4ccccc4[C@H](OCC4CC4)[C@@H]3C2)n1 ZINC001164976930 722170335 /nfs/dbraw/zinc/17/03/35/722170335.db2.gz KXSCAGRVCAZDRA-HLIPFELVSA-N 0 0 434.918 4.442 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cc(C)cc(Cl)n4)CC[C@@H]32)cs1 ZINC001164985953 722183619 /nfs/dbraw/zinc/18/36/19/722183619.db2.gz CQLSMRDVZFVHCA-DLBZAZTESA-N 0 0 442.963 4.223 20 0 IIADRN CCc1ccc(-c2ccc(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)nn2)cc1 ZINC001164991799 722185763 /nfs/dbraw/zinc/18/57/63/722185763.db2.gz UVPLCATWMXXXFY-RPWUZVMVSA-N 0 0 449.624 4.341 20 0 IIADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164990975 722187427 /nfs/dbraw/zinc/18/74/27/722187427.db2.gz NRWKFSFPMJEGEM-CQSZACIVSA-N 0 0 436.330 4.035 20 0 IIADRN Nc1cc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)cnc1Cl ZINC001164999931 722221711 /nfs/dbraw/zinc/22/17/11/722221711.db2.gz UGFBPGRIPAYYIW-IBGZPJMESA-N 0 0 446.929 4.442 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2ccc3cnc(Cl)nc3c2)n1 ZINC001165000591 722226806 /nfs/dbraw/zinc/22/68/06/722226806.db2.gz UNWNGYXRHJSRPV-KRWDZBQOSA-N 0 0 448.905 4.042 20 0 IIADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cnc(Cl)c(C3CC3)c2)n1 ZINC001165001364 722227962 /nfs/dbraw/zinc/22/79/62/722227962.db2.gz ZTPJPHCLZFKRCA-QGZVFWFLSA-N 0 0 437.922 4.371 20 0 IIADRN CC(C)CN1c2ccccc2[C@@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)CC[C@@H]21 ZINC001165004023 722245358 /nfs/dbraw/zinc/24/53/58/722245358.db2.gz MMEMXFBDZUKBNE-WMZOPIPTSA-N 0 0 434.918 4.217 20 0 IIADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001165001400 722248270 /nfs/dbraw/zinc/24/82/70/722248270.db2.gz PWQJQPPXNCCUKH-UHFFFAOYSA-N 0 0 445.857 4.053 20 0 IIADRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001123267479 939816769 /nfs/dbraw/zinc/81/67/69/939816769.db2.gz IHUNOEGFCQYIPW-FNZWTVRRSA-N 0 0 438.568 4.121 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000426649910 1126081136 /nfs/dbraw/zinc/08/11/36/1126081136.db2.gz YWXIVOYSPHHTNX-QGZVFWFLSA-N 0 0 433.327 4.064 20 0 IIADRN CSc1cc2c(cc1C[NH2+][C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-])OCCO2 ZINC000426740269 1126085354 /nfs/dbraw/zinc/08/53/54/1126085354.db2.gz ANKGLOZBAMORPF-OAHLLOKOSA-N 0 0 428.337 4.272 20 0 IIADRN O=C([O-])[C@H](Cc1ccc(F)cc1)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000426717857 1126081778 /nfs/dbraw/zinc/08/17/78/1126081778.db2.gz SLPKGXOMMCASDA-KRWDZBQOSA-N 0 0 435.318 4.497 20 0 IIADRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000426728999 1126083772 /nfs/dbraw/zinc/08/37/72/1126083772.db2.gz ZDIHBKKCJCIAQB-AWEZNQCLSA-N 0 0 447.335 4.424 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000426730122 1126084067 /nfs/dbraw/zinc/08/40/67/1126084067.db2.gz JQHUVKWYFGZIKN-INIZCTEOSA-N 0 0 429.822 4.306 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000426733573 1126084413 /nfs/dbraw/zinc/08/44/13/1126084413.db2.gz YQLDKTSXAQJNGT-ZDUSSCGKSA-N 0 0 446.750 4.111 20 0 IIADRN CC(=O)Nc1ccc(C[NH2+][C@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])cc1 ZINC000426735082 1126084819 /nfs/dbraw/zinc/08/48/19/1126084819.db2.gz CYCXPALBHSAPTP-LJQANCHMSA-N 0 0 429.929 4.207 20 0 IIADRN COc1ccc(OC)c(C[NH2+][C@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])c1 ZINC000426735816 1126084880 /nfs/dbraw/zinc/08/48/80/1126084880.db2.gz GUXXRLNTEBSBGY-GOSISDBHSA-N 0 0 432.929 4.266 20 0 IIADRN C[C@H]1CCc2nc(C[NH2+][C@@H](Cc3c[nH]c4cccc(Br)c34)C(=O)[O-])sc2C1 ZINC000426759919 1126088547 /nfs/dbraw/zinc/08/85/47/1126088547.db2.gz OYRVOJHDWJCBLE-ZBEGNZNMSA-N 0 0 448.386 4.297 20 0 IIADRN COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](Cc3cccc(Cl)c3)C(=O)[O-])c2)cc1 ZINC000426742793 1126085835 /nfs/dbraw/zinc/08/58/35/1126085835.db2.gz KYVSGCKQCQJODD-QFIPXVFZSA-N 0 0 438.911 4.386 20 0 IIADRN Cc1cc(C)n(C[C@H]([NH2+]Cc2ccc(OCc3c(F)cccc3Cl)cc2)C(=O)[O-])n1 ZINC000426748609 1126086776 /nfs/dbraw/zinc/08/67/76/1126086776.db2.gz YUIUGLGNRHOLMU-NRFANRHFSA-N 0 0 431.895 4.114 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000426756070 1126087942 /nfs/dbraw/zinc/08/79/42/1126087942.db2.gz HRMBPMWWPLLJED-OAHLLOKOSA-N 0 0 431.099 4.136 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000426804455 1126091210 /nfs/dbraw/zinc/09/12/10/1126091210.db2.gz UPNIJODJGYGLEJ-LJQANCHMSA-N 0 0 440.297 4.371 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000426801671 1126091229 /nfs/dbraw/zinc/09/12/29/1126091229.db2.gz RYEAABMNVKQHAK-SFHVURJKSA-N 0 0 449.732 4.304 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000671162107 1126104847 /nfs/dbraw/zinc/10/48/47/1126104847.db2.gz IIUJPVYNPGRYOA-IBGZPJMESA-N 0 0 448.748 4.133 20 0 IIADRN COc1cccc2cc(C[NH2+][C@@H](Cc3c[nH]c4ccc(Br)cc34)C(=O)[O-])oc21 ZINC000756333949 1126107210 /nfs/dbraw/zinc/10/72/10/1126107210.db2.gz VLFILCOHILCUOK-SFHVURJKSA-N 0 0 443.297 4.471 20 0 IIADRN COc1c(C)cc(C[NH2+][C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])cc1C ZINC000756334004 1126107411 /nfs/dbraw/zinc/10/74/11/1126107411.db2.gz WAETWCVZHSUVOY-IBGZPJMESA-N 0 0 431.330 4.341 20 0 IIADRN Cc1cccc(COc2c(C)cc(C[NH2+][C@@H](Cn3cc(Cl)cn3)C(=O)[O-])cc2C)c1 ZINC001321112469 1126170971 /nfs/dbraw/zinc/17/09/71/1126170971.db2.gz GTCUWRWZQJLDLZ-NRFANRHFSA-N 0 0 427.932 4.284 20 0 IIADRN CCOC(=O)c1c(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)occ1C(F)(F)F ZINC001460687221 1126191377 /nfs/dbraw/zinc/19/13/77/1126191377.db2.gz DHPWQUHVMZAZQS-XJKSGUPXSA-N 0 0 439.352 4.099 20 0 IIADRN O=C([O-])[C@H](c1ccccc1)[NH+]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725240887 557132368 /nfs/dbraw/zinc/13/23/68/557132368.db2.gz KEFFHERUUDLOKN-VWLOTQADSA-N 0 0 442.515 4.379 20 0 IIADRN CCOC(=O)N1CCC(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000008674705 562961408 /nfs/dbraw/zinc/96/14/08/562961408.db2.gz VZUIAKJKYKORGA-UHFFFAOYSA-N 0 0 427.345 4.467 20 0 IIADRN Cn1c(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)nc2ccccc21 ZINC000247962293 568632675 /nfs/dbraw/zinc/63/26/75/568632675.db2.gz FLUIBQGHCSEMLZ-UHFFFAOYSA-N 0 0 427.346 4.187 20 0 IIADRN C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC[C@@]5(CCOC5)C4)c23)C1 ZINC001164392113 718807761 /nfs/dbraw/zinc/80/77/61/718807761.db2.gz YDPAWZMDKACICC-BXKMTCNYSA-N 0 0 426.630 4.419 20 0 IIADRN FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCC2(CCCc3ccccc32)CC1 ZINC001164389788 718813749 /nfs/dbraw/zinc/81/37/49/718813749.db2.gz ZAFULPXPGASRAP-UHFFFAOYSA-N 0 0 448.945 4.386 20 0 IIADRN O=C1CC2(CCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)CC2)c2cc(F)ccc21 ZINC001164425921 718937524 /nfs/dbraw/zinc/93/75/24/718937524.db2.gz YMJQRRWKDBDIJB-UHFFFAOYSA-N 0 0 432.833 4.487 20 0 IIADRN CCOC(=O)[C@]12CCO[C@H]1CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164431858 718974307 /nfs/dbraw/zinc/97/43/07/718974307.db2.gz CBQMUVRLIOMSPS-RXVVDRJESA-N 0 0 436.886 4.495 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C[C@@H]3O2)n1 ZINC001164638730 719262087 /nfs/dbraw/zinc/26/20/87/719262087.db2.gz OWQSMMOZRYBEAB-XBFCOCLRSA-N 0 0 441.935 4.234 20 0 IIADRN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164650663 719290535 /nfs/dbraw/zinc/29/05/35/719290535.db2.gz ZPVIGGSOYILNAC-BPNCWPANSA-N 0 0 437.903 4.457 20 0 IIADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164646736 719293328 /nfs/dbraw/zinc/29/33/28/719293328.db2.gz PUTBTULAGAABHA-ZVDOUQERSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164645827 719294188 /nfs/dbraw/zinc/29/41/88/719294188.db2.gz MCCOZJQZNZULEA-GJYPPUQNSA-N 0 0 434.874 4.109 20 0 IIADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164647240 719295067 /nfs/dbraw/zinc/29/50/67/719295067.db2.gz DBJPDWQQQKSOCM-HBFSDRIKSA-N 0 0 446.885 4.176 20 0 IIADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cccc(-c5ccc(Cl)nn5)c4)C[C@@H]3O2)n1 ZINC001164646374 719300743 /nfs/dbraw/zinc/30/07/43/719300743.db2.gz ATJJNPTYQGJMQN-WBAXXEDZSA-N 0 0 447.873 4.390 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)C[C@@H]2CCCO[C@@H]12 ZINC001164651871 719303130 /nfs/dbraw/zinc/30/31/30/719303130.db2.gz MOQNMTHUHKFIIR-QKYXUNIQSA-N 0 0 435.902 4.039 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)C[C@H]2CCCO[C@H]21 ZINC001164646653 719304294 /nfs/dbraw/zinc/30/42/94/719304294.db2.gz BIEYTJLXWPGUPA-WRWLIDTKSA-N 0 0 435.902 4.039 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1cc(F)ccc1Oc1ccc(Cl)nn1)CC2 ZINC001164651206 719315000 /nfs/dbraw/zinc/31/50/00/719315000.db2.gz IEYWRYYXXNJZDD-UHFFFAOYSA-N 0 0 444.942 4.463 20 0 IIADRN F[C@H](Oc1ccnc(Cl)c1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164654250 719322995 /nfs/dbraw/zinc/32/29/95/719322995.db2.gz JLVLGHPSCGKIRT-QFIPXVFZSA-N 0 0 443.910 4.006 20 0 IIADRN CSc1nc(Cl)cc(C(F)(F)N2CCO[C@@H]3[C@@H](OCC4CCCC4)CC[C@@H]32)n1 ZINC001164663219 719342397 /nfs/dbraw/zinc/34/23/97/719342397.db2.gz WVRVDMDCGCOXKM-ZQIUZPCESA-N 0 0 433.952 4.340 20 0 IIADRN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@H]21 ZINC001164663240 719343780 /nfs/dbraw/zinc/34/37/80/719343780.db2.gz XFPGIKNFQJJTTH-LMMKCTJWSA-N 0 0 438.906 4.166 20 0 IIADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@H]32)c1 ZINC001164663683 719343845 /nfs/dbraw/zinc/34/38/45/719343845.db2.gz ZYKMKGRZVNAAEJ-KURKYZTESA-N 0 0 444.906 4.010 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3ccsc31)CC2 ZINC001164664556 719345456 /nfs/dbraw/zinc/34/54/56/719345456.db2.gz YIMNCFWZMXIJBL-UHFFFAOYSA-N 0 0 430.581 4.386 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(Cl)cc1OC)CC2 ZINC001164664148 719346649 /nfs/dbraw/zinc/34/66/49/719346649.db2.gz SKBSECFEMAIRJR-UHFFFAOYSA-N 0 0 437.975 4.438 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1CCC3)CC2 ZINC001164662960 719346836 /nfs/dbraw/zinc/34/68/36/719346836.db2.gz BJKHDDNEMBJNTG-UHFFFAOYSA-N 0 0 449.002 4.313 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)cc(OC)n1)CC2 ZINC001164663757 719349562 /nfs/dbraw/zinc/34/95/62/719349562.db2.gz LIFHKXYMHURKSM-UHFFFAOYSA-N 0 0 437.975 4.438 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(C)(C)C)nn1)CC2 ZINC001164659637 719353973 /nfs/dbraw/zinc/35/39/73/719353973.db2.gz RMHPSNFNWAEANG-UHFFFAOYSA-N 0 0 430.600 4.469 20 0 IIADRN CCn1nnc2c1[C@H](COC)CN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164662990 719361145 /nfs/dbraw/zinc/36/11/45/719361145.db2.gz GYEZJIQVPIDIEI-INIZCTEOSA-N 0 0 449.889 4.188 20 0 IIADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001164676364 719566792 /nfs/dbraw/zinc/56/67/92/719566792.db2.gz CLFNXOVENXIIBV-UHFFFAOYSA-N 0 0 442.857 4.137 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001164676332 719566912 /nfs/dbraw/zinc/56/69/12/719566912.db2.gz BCBNJENXGBSNHQ-UHFFFAOYSA-N 0 0 442.857 4.137 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)C[C@@H]2COc1cccnc1 ZINC001164686982 719597816 /nfs/dbraw/zinc/59/78/16/719597816.db2.gz PNARCLFDFWUVSN-CYBMUJFWSA-N 0 0 444.873 4.073 20 0 IIADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2ccc3ccnc(Cl)c3c2)N1Cc1cccnc1 ZINC001164690942 719766376 /nfs/dbraw/zinc/76/63/76/719766376.db2.gz JBRPALQOOHPSDV-RBUKOAKNSA-N 0 0 428.870 4.208 20 0 IIADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cccc3c(Cl)nccc32)N1Cc1cccnc1 ZINC001164690645 719770857 /nfs/dbraw/zinc/77/08/57/719770857.db2.gz GNXIUKFXRBHLFV-MOPGFXCFSA-N 0 0 428.870 4.208 20 0 IIADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)c(Cl)nc2Cl)N1Cc1cccnc1 ZINC001164693178 719771585 /nfs/dbraw/zinc/77/15/85/719771585.db2.gz YHAIFEVCUBPUCP-KGLIPLIRSA-N 0 0 447.700 4.362 20 0 IIADRN Fc1ccc(Oc2ccnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)n2)cc1 ZINC001164707569 719899487 /nfs/dbraw/zinc/89/94/87/719899487.db2.gz UJXKWAYHYHNXRK-UHFFFAOYSA-N 0 0 440.544 4.341 20 0 IIADRN Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)cn1 ZINC001164712175 720069977 /nfs/dbraw/zinc/06/99/77/720069977.db2.gz JZMZZLUYZRYBKL-OALUTQOASA-N 0 0 443.885 4.065 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001164711510 720091839 /nfs/dbraw/zinc/09/18/39/720091839.db2.gz QFIWCQAVOXXVOI-UHFFFAOYSA-N 0 0 444.873 4.044 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc(C)c(Cl)n2)cs1 ZINC001164816682 720254870 /nfs/dbraw/zinc/25/48/70/720254870.db2.gz LNOKQCAAIFLELI-CABCVRRESA-N 0 0 426.920 4.123 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc(F)c(Cl)n3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164820451 720387305 /nfs/dbraw/zinc/38/73/05/720387305.db2.gz BPXCSBCGLQIYBN-FMKPAKJESA-N 0 0 433.883 4.137 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc(C)c(Cl)n3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164823710 720390009 /nfs/dbraw/zinc/39/00/09/720390009.db2.gz PMGFTLJSHOJOQT-BFYDXBDKSA-N 0 0 429.920 4.306 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)CC[C@H]21)N1CCCCC1 ZINC001164835497 720497147 /nfs/dbraw/zinc/49/71/47/720497147.db2.gz YSYNZTNTVMHINN-VBQJREDUSA-N 0 0 448.341 4.177 20 0 IIADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164735821 720537388 /nfs/dbraw/zinc/53/73/88/720537388.db2.gz RWCWPMPMEWHFCZ-ACJLOTCBSA-N 0 0 445.297 4.178 20 0 IIADRN Fc1ccc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COc3ccccn3)C2)nc1Cl ZINC001164734663 720537648 /nfs/dbraw/zinc/53/76/48/720537648.db2.gz JXKMKAFVVAPQMS-KUHUBIRLSA-N 0 0 427.854 4.269 20 0 IIADRN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164734676 720541667 /nfs/dbraw/zinc/54/16/67/720541667.db2.gz KGRSGQMPRBEJOA-VBKZILBWSA-N 0 0 449.889 4.006 20 0 IIADRN O=C(NCc1ccccc1)c1nc2c(s1)CCN(C(F)(F)c1ccc(Cl)nc1)CC2 ZINC001164843443 720746188 /nfs/dbraw/zinc/74/61/88/720746188.db2.gz JVYCDLRTGSQUNJ-UHFFFAOYSA-N 0 0 448.926 4.272 20 0 IIADRN Fc1ccc(C(F)(F)N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)nc1Cl ZINC001164844305 720771253 /nfs/dbraw/zinc/77/12/53/720771253.db2.gz BLCKNZBFOIOLNW-PVAVHDDUSA-N 0 0 427.854 4.157 20 0 IIADRN Clc1ccc(CN2CCCC2)c(N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@H]32)n1 ZINC001164845092 720774309 /nfs/dbraw/zinc/77/43/09/720774309.db2.gz DNYUJWPNUQUIBQ-BDTNDASRSA-N 0 0 442.991 4.069 20 0 IIADRN Cc1nc(C(F)(F)N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)nc(Cl)c1C ZINC001164845905 720776090 /nfs/dbraw/zinc/77/60/90/720776090.db2.gz GNUFUSXDDQCMPP-KURKYZTESA-N 0 0 438.906 4.030 20 0 IIADRN O=C1[C@@H]2CN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C[C@@H]2CN1Cc1ccncc1 ZINC001164854554 720812484 /nfs/dbraw/zinc/81/24/84/720812484.db2.gz UTBRMWYSXUFWQY-NWDGAFQWSA-N 0 0 447.700 4.077 20 0 IIADRN O=C1[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)C[C@H]2CN1Cc1ccncc1 ZINC001164847969 720815176 /nfs/dbraw/zinc/81/51/76/720815176.db2.gz BGTXXGBCCGGVDY-AEFFLSMTSA-N 0 0 446.929 4.039 20 0 IIADRN COc1ccc2nc(C(F)(F)N3CCOC[C@@H]3c3csc(C)n3)nc(Cl)c2c1 ZINC001164749380 720864601 /nfs/dbraw/zinc/86/46/01/720864601.db2.gz NBZWAVNNUISRQW-OAHLLOKOSA-N 0 0 426.876 4.180 20 0 IIADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C2)CC1 ZINC001164861350 720894497 /nfs/dbraw/zinc/89/44/97/720894497.db2.gz XOOZEVDRLYPDHO-UHFFFAOYSA-N 0 0 441.309 4.461 20 0 IIADRN Cc1cc(C(F)(F)N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)cc(Cl)n1 ZINC001164860849 720897160 /nfs/dbraw/zinc/89/71/60/720897160.db2.gz VKGPFTGHLNEZNC-GHTZIAJQSA-N 0 0 435.902 4.146 20 0 IIADRN CSc1ccc(C(F)(F)N2Cc3cncn3C[C@@H](COCC3CC3)C2)nc1Cl ZINC001164758972 720977861 /nfs/dbraw/zinc/97/78/61/720977861.db2.gz XSYKYIRERGUYBI-CQSZACIVSA-N 0 0 428.936 4.261 20 0 IIADRN FC(F)(c1cccc2ccnc(Cl)c21)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001164762404 721006623 /nfs/dbraw/zinc/00/66/23/721006623.db2.gz VLBKREHMCDTFHN-UHOSZYNNSA-N 0 0 431.870 4.249 20 0 IIADRN CSc1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)nc1Cl ZINC001164773002 721053176 /nfs/dbraw/zinc/05/31/76/721053176.db2.gz RENCPECGGQRKSX-GJZGRUSLSA-N 0 0 438.931 4.085 20 0 IIADRN O=C(N1CCCC1)C12CC(C1)CN2C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164870631 721239471 /nfs/dbraw/zinc/23/94/71/721239471.db2.gz AFAMEFOKAWLNCR-UHFFFAOYSA-N 0 0 436.865 4.072 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164873394 721249344 /nfs/dbraw/zinc/24/93/44/721249344.db2.gz IIMNWZWVBGRWMK-SNRMKQJTSA-N 0 0 446.885 4.428 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)c1 ZINC001164874954 721297846 /nfs/dbraw/zinc/29/78/46/721297846.db2.gz FOKGMPJFYMLKQW-GDBMZVCRSA-N 0 0 441.931 4.017 20 0 IIADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164881415 721310982 /nfs/dbraw/zinc/31/09/82/721310982.db2.gz VYMTYUSLOVHQHO-UHOFOFEASA-N 0 0 430.282 4.391 20 0 IIADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164882121 721311311 /nfs/dbraw/zinc/31/13/11/721311311.db2.gz ZHRLQHKMFFBZCA-NWANDNLSSA-N 0 0 430.282 4.391 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164881953 721313561 /nfs/dbraw/zinc/31/35/61/721313561.db2.gz YMUKIPSIIQVWPJ-ZTFGCOKTSA-N 0 0 446.885 4.286 20 0 IIADRN FC(F)(N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21)C1(c2ccc(Cl)nc2)CC1 ZINC001164878826 721315553 /nfs/dbraw/zinc/31/55/53/721315553.db2.gz PVQMXYOPPSXSPZ-CGTJXYLNSA-N 0 0 435.902 4.313 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001164876413 721318033 /nfs/dbraw/zinc/31/80/33/721318033.db2.gz HIJYIIJNBCEMRQ-INIZCTEOSA-N 0 0 442.897 4.328 20 0 IIADRN CCN1CC[C@@]2(CN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)C[C@@H]2C)C1=O ZINC001164777509 721322963 /nfs/dbraw/zinc/32/29/63/721322963.db2.gz KHXPRCWYGFTLPN-RBZFPXEDSA-N 0 0 438.881 4.176 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)C[C@H]2C)C1=O ZINC001164779583 721323200 /nfs/dbraw/zinc/32/32/00/721323200.db2.gz ZFUAUKQVOWYTMF-ZUOKHONESA-N 0 0 438.881 4.176 20 0 IIADRN CN(C)C1=NOC2(C1)CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164877541 721327925 /nfs/dbraw/zinc/32/79/25/721327925.db2.gz VKVSUJIPTLIUOM-UHFFFAOYSA-N 0 0 439.869 4.115 20 0 IIADRN O=C(c1cscn1)N1CCC2(C1)CCN(C(F)(F)c1ccnc(Cl)c1F)CC2 ZINC001164876305 721328678 /nfs/dbraw/zinc/32/86/78/721328678.db2.gz NVVGQAHXZXOFQB-UHFFFAOYSA-N 0 0 430.883 4.008 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3cccc(Cl)n3)C2)C1 ZINC001164778858 721332862 /nfs/dbraw/zinc/33/28/62/721332862.db2.gz ZJCZSEASZZAMSV-HXUWFJFHSA-N 0 0 440.922 4.004 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncc(Cl)cc3Cl)C2)C1 ZINC001164777337 721332884 /nfs/dbraw/zinc/33/28/84/721332884.db2.gz MAYWAEOFKGLPIL-FQEVSTJZSA-N 0 0 425.360 4.112 20 0 IIADRN O=C(c1ccccc1)N1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C[C@H]2C1 ZINC001164883431 721353286 /nfs/dbraw/zinc/35/32/86/721353286.db2.gz LQUZVJUKSKQBPL-YLJYHZDGSA-N 0 0 447.913 4.135 20 0 IIADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164789194 721401847 /nfs/dbraw/zinc/40/18/47/721401847.db2.gz UCHOHGSEBMNCNY-HZPDHXFCSA-N 0 0 447.942 4.367 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164789590 721433472 /nfs/dbraw/zinc/43/34/72/721433472.db2.gz VUDIKMKNFZXQRO-HOTGVXAUSA-N 0 0 447.942 4.367 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2ccnc(Cl)n2)CCO3)cs1 ZINC001164781986 721442739 /nfs/dbraw/zinc/44/27/39/721442739.db2.gz HWTZQBPRDWLUIU-KBXCAEBGSA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2ccnc(Cl)n2)CCO3)cs1 ZINC001164781988 721442759 /nfs/dbraw/zinc/44/27/59/721442759.db2.gz HWTZQBPRDWLUIU-KDOFPFPSSA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@]23CN([C@H](F)Oc2ccc(Cl)nc2)CCO3)cs1 ZINC001164784063 721444167 /nfs/dbraw/zinc/44/41/67/721444167.db2.gz 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COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164797054 721505517 /nfs/dbraw/zinc/50/55/17/721505517.db2.gz YEBBJNOQEZBMMX-VBKZILBWSA-N 0 0 437.874 4.147 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cc(Cl)ccc32)[C@@H]2CCCO[C@H]12 ZINC001164803034 721553245 /nfs/dbraw/zinc/55/32/45/721553245.db2.gz HLVGJNRCQWZGFT-AQNXPRMDSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2c(Cl)ncc(Cl)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001164805428 721557239 /nfs/dbraw/zinc/55/72/39/721557239.db2.gz NUSCRHWFIQIOBG-RKVPGOIHSA-N 0 0 427.763 4.305 20 0 IIADRN CN(C)C(=O)[C@H]1CC12CCN(C(F)(F)Oc1ccc3nc(Cl)c(Cl)nc3c1)CC2 ZINC001164910392 721569323 /nfs/dbraw/zinc/56/93/23/721569323.db2.gz WQWKDGOGLKGZSF-GFCCVEGCSA-N 0 0 445.297 4.056 20 0 IIADRN CN(C)C(=O)[C@H]1CC12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164901970 721571606 /nfs/dbraw/zinc/57/16/06/721571606.db2.gz ICVNFOZRYIZTOX-MRXNPFEDSA-N 0 0 438.881 4.176 20 0 IIADRN CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1C(F)(F)c1cccc(Cl)n1 ZINC001164901698 721577370 /nfs/dbraw/zinc/57/73/70/721577370.db2.gz HGTIDCPVQFLBFV-KRWDZBQOSA-N 0 0 440.922 4.043 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164808321 721581718 /nfs/dbraw/zinc/58/17/18/721581718.db2.gz QKVHCWPOONYGRU-WMTXJRDZSA-N 0 0 435.959 4.060 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)[C@@H]2CCCO[C@H]12 ZINC001164806195 721591366 /nfs/dbraw/zinc/59/13/66/721591366.db2.gz MGGOQULJVQIKQB-SBHAEUEKSA-N 0 0 448.945 4.118 20 0 IIADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)C3)c1 ZINC001164804256 721601336 /nfs/dbraw/zinc/60/13/36/721601336.db2.gz XWAUQSLTQXDBJQ-DNVCBOLYSA-N 0 0 440.947 4.490 20 0 IIADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)c2nc(Cl)nc4[nH]cnc42)C3)c1 ZINC001164804041 721601502 /nfs/dbraw/zinc/60/15/02/721601502.db2.gz WKAASFZKCPICDR-MGPUTAFESA-N 0 0 448.905 4.030 20 0 IIADRN COc1nnc(Cl)cc1C(F)(F)N1C[C@H]2CCC[C@@]2(COCc2cncc(C)c2)C1 ZINC001164803443 721601931 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CSc1cnc(Cl)c(C(F)(F)N2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c1 ZINC001165014698 721771784 /nfs/dbraw/zinc/77/17/84/721771784.db2.gz FOPHXEAIRNLMRS-DOMZBBRYSA-N 0 0 427.904 4.336 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cc(-c2ccco2)nnc1Cl ZINC001165016745 721772244 /nfs/dbraw/zinc/77/22/44/721772244.db2.gz QBOVNZUNZVJUSH-BBRMVZONSA-N 0 0 448.857 4.269 20 0 IIADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164916568 721807238 /nfs/dbraw/zinc/80/72/38/721807238.db2.gz RDXMMFSZFKFMJH-MGPUTAFESA-N 0 0 432.858 4.040 20 0 IIADRN Fc1cnc(Cl)cc1C(F)(F)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164917224 721809702 /nfs/dbraw/zinc/80/97/02/721809702.db2.gz LSZVJFYCCGTLLR-FABXCBLPSA-N 0 0 433.883 4.076 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164915414 721810490 /nfs/dbraw/zinc/81/04/90/721810490.db2.gz AJGHMLKNFKSFJX-JJRVBVJISA-N 0 0 429.920 4.245 20 0 IIADRN FC(F)(c1cc2ccccc2nc1Cl)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164925389 721839437 /nfs/dbraw/zinc/83/94/37/721839437.db2.gz OTKJKFRTDQSBTC-HTAPYJJXSA-N 0 0 445.897 4.498 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c1 ZINC001164924554 721839878 /nfs/dbraw/zinc/83/98/78/721839878.db2.gz NBHWFTRNUDJRHO-KUHUBIRLSA-N 0 0 441.931 4.066 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC[C@@H]21)NC1CCC1 ZINC001164936481 721897524 /nfs/dbraw/zinc/89/75/24/721897524.db2.gz YWFYDCDYZWYFIQ-QSFXBCCZSA-N 0 0 449.929 4.333 20 0 IIADRN FC(F)(c1ccc(Cl)nc1)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164936748 721898105 /nfs/dbraw/zinc/89/81/05/721898105.db2.gz ZZFMXSVFVIFLBC-OAQYLSRUSA-N 0 0 428.870 4.415 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001164936561 721910907 /nfs/dbraw/zinc/91/09/07/721910907.db2.gz XPTBIYAIFOUOEI-CJNGLKHVSA-N 0 0 446.860 4.318 20 0 IIADRN Fc1ccc(-c2cc(C(F)(F)N3CCN(C[C@H]4CCCO4)CC3)cnc2Cl)cc1 ZINC001165045041 721922180 /nfs/dbraw/zinc/92/21/80/721922180.db2.gz YKMSTMSFLAPYEB-GOSISDBHSA-N 0 0 425.882 4.387 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(Cl)nc4cc(Cl)ccc43)C[C@@H]21 ZINC001164942568 721942107 /nfs/dbraw/zinc/94/21/07/721942107.db2.gz KTVHKWMDRBJWHM-VQTJNVASSA-N 0 0 433.339 4.236 20 0 IIADRN Cc1ccc(Cl)c(O[C@H]2CCCN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)C2)c1 ZINC001165050548 721979848 /nfs/dbraw/zinc/97/98/48/721979848.db2.gz UWDFQUBNJPQHMM-LBPRGKRZSA-N 0 0 430.282 4.388 20 0 IIADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCN(CCc2ccccn2)CC1 ZINC001165054468 722011123 /nfs/dbraw/zinc/01/11/23/722011123.db2.gz YZNFPEGGZQMCDU-UHFFFAOYSA-N 0 0 429.902 4.102 20 0 IIADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCN(CCc2ccccn2)CC1 ZINC001165054839 722017418 /nfs/dbraw/zinc/01/74/18/722017418.db2.gz FOEVBTOSZLHQPF-UHFFFAOYSA-N 0 0 429.902 4.102 20 0 IIADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN([C@@H](F)Oc2cccc(Cl)n2)C3)n1 ZINC001164962745 722026502 /nfs/dbraw/zinc/02/65/02/722026502.db2.gz RUBGMSBOSNOBEA-STZQEDGTSA-N 0 0 435.927 4.158 20 0 IIADRN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN([C@H](F)Oc2cccc(Cl)n2)C3)n1 ZINC001164962744 722026684 /nfs/dbraw/zinc/02/66/84/722026684.db2.gz RUBGMSBOSNOBEA-BVYCBKJFSA-N 0 0 435.927 4.158 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1ccc(Cl)nc1Cl ZINC001164962703 722028038 /nfs/dbraw/zinc/02/80/38/722028038.db2.gz REXWXSYPFLLNFN-GZBFAFLISA-N 0 0 434.245 4.283 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001164957462 722029445 /nfs/dbraw/zinc/02/94/45/722029445.db2.gz MBFOSUFWGJTUKV-VBQJREDUSA-N 0 0 438.837 4.111 20 0 IIADRN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164963107 722034037 /nfs/dbraw/zinc/03/40/37/722034037.db2.gz ZTLFOYFPASFQTO-PGRDOPGGSA-N 0 0 442.897 4.361 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C[C@H]21 ZINC001164956608 722047720 /nfs/dbraw/zinc/04/77/20/722047720.db2.gz BTFYADCJAKPOCM-HZPDHXFCSA-N 0 0 444.869 4.286 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C[C@@H]21 ZINC001164960869 722048829 /nfs/dbraw/zinc/04/88/29/722048829.db2.gz XZOMHXDXRNQFAM-YJBOKZPZSA-N 0 0 444.869 4.286 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc(Cl)nc(C)n2)[C@H]3C)c1 ZINC001164963776 722062882 /nfs/dbraw/zinc/06/28/82/722062882.db2.gz DEUXMRADZUXVEY-AWEZNQCLSA-N 0 0 448.905 4.181 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN([C@@H](F)Oc2ccnc(Cl)c2)[C@H]3C)c1 ZINC001164965910 722062930 /nfs/dbraw/zinc/06/29/30/722062930.db2.gz MFHXHSQJMPAFGQ-YCRPNKLZSA-N 0 0 431.899 4.060 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN([C@@H](F)Oc2ccnc(Cl)c2)[C@@H]3C)c1 ZINC001164965905 722063038 /nfs/dbraw/zinc/06/30/38/722063038.db2.gz MFHXHSQJMPAFGQ-QVKFZJNVSA-N 0 0 431.899 4.060 20 0 IIADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164968162 722078213 /nfs/dbraw/zinc/07/82/13/722078213.db2.gz UKEXBKFGUGNVKB-UHFFFAOYSA-N 0 0 426.294 4.392 20 0 IIADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164970169 722082781 /nfs/dbraw/zinc/08/27/81/722082781.db2.gz VQPFFAHWSAGEPE-UHFFFAOYSA-N 0 0 443.841 4.353 20 0 IIADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C[C@H]2C1 ZINC001164970056 722085749 /nfs/dbraw/zinc/08/57/49/722085749.db2.gz BZWJZZGZEKFUJH-IAGOWNOFSA-N 0 0 446.929 4.473 20 0 IIADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CC2 ZINC001164974071 722091687 /nfs/dbraw/zinc/09/16/87/722091687.db2.gz MBYWIZPOVLDBLC-OAHLLOKOSA-N 0 0 449.933 4.136 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)C[C@H]21 ZINC001164984838 722096899 /nfs/dbraw/zinc/09/68/99/722096899.db2.gz XKBWROGIMCVHQC-PMUMKWKESA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)Sc3ccc(Cl)nc3)C[C@@H]21 ZINC001164976436 722098312 /nfs/dbraw/zinc/09/83/12/722098312.db2.gz DCIHZFGDMJNEBR-SOLBZPMBSA-N 0 0 438.931 4.419 20 0 IIADRN CN(C)c1cc(C(F)(F)N2CCC[C@@]3(C[C@@H](OCC4CCCC4)CO3)C2)nc(Cl)n1 ZINC001164979013 722166311 /nfs/dbraw/zinc/16/63/11/722166311.db2.gz SWUVMJHGELXQIE-OXQOHEQNSA-N 0 0 444.954 4.076 20 0 IIADRN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001164980455 722172054 /nfs/dbraw/zinc/17/20/54/722172054.db2.gz YGHLYOSLONXWCN-UHFFFAOYSA-N 0 0 429.895 4.027 20 0 IIADRN CSc1nc2sccc2c(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1 ZINC001164990861 722176303 /nfs/dbraw/zinc/17/63/03/722176303.db2.gz WNEGFHKIHTXSAH-IRXDYDNUSA-N 0 0 447.655 4.048 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5ccc(F)cc54)CC[C@@H]32)cs1 ZINC001164988403 722176447 /nfs/dbraw/zinc/17/64/47/722176447.db2.gz QOEBAZYESBKYAQ-OALUTQOASA-N 0 0 447.967 4.057 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)nc5sc(C)c(C)c54)CC[C@@H]32)cs1 ZINC001164989830 722181212 /nfs/dbraw/zinc/18/12/12/722181212.db2.gz MIWBOACPHJWGCE-OALUTQOASA-N 0 0 443.642 4.251 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5cc(C)ccc54)CC[C@H]32)cs1 ZINC001164988632 722182085 /nfs/dbraw/zinc/18/20/85/722182085.db2.gz LALWHDVAWWBQHJ-WOJBJXKFSA-N 0 0 444.004 4.226 20 0 IIADRN CSc1cc(Cl)cnc1N1CC[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164991870 722184800 /nfs/dbraw/zinc/18/48/00/722184800.db2.gz VCOQMRBIPXPQGE-IRXDYDNUSA-N 0 0 425.023 4.092 20 0 IIADRN CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)n1 ZINC001164989521 722186834 /nfs/dbraw/zinc/18/68/34/722186834.db2.gz OUWCZMYMVTXLBF-BEVDRBHNSA-N 0 0 440.617 4.106 20 0 IIADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164991884 722187805 /nfs/dbraw/zinc/18/78/05/722187805.db2.gz QJYPLCSLWSJQMP-GOSISDBHSA-N 0 0 441.950 4.259 20 0 IIADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3nccc(Cl)n3)CC2)c2ccccc21 ZINC001165000007 722220595 /nfs/dbraw/zinc/22/05/95/722220595.db2.gz VEBVUOKHHATHSP-UHFFFAOYSA-N 0 0 444.913 4.136 20 0 IIADRN O=C(NCC1CC1)C1=CC2(CCN(C(F)(F)c3ccnc(Cl)n3)CC2)c2ccccc21 ZINC001164996742 722220678 /nfs/dbraw/zinc/22/06/78/722220678.db2.gz ADCMMDYESLLYPW-UHFFFAOYSA-N 0 0 444.913 4.136 20 0 IIADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cc(Cl)ncn1)CC2 ZINC001165000403 722220756 /nfs/dbraw/zinc/22/07/56/722220756.db2.gz XHQFFCPZKVYNMY-IBGZPJMESA-N 0 0 432.902 4.255 20 0 IIADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1cc(Cl)ncc1Cl)CCO2 ZINC001165001130 722248624 /nfs/dbraw/zinc/24/86/24/722248624.db2.gz MQAWCFREYVYYJF-GOSISDBHSA-N 0 0 446.281 4.038 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1ccc(Br)o1 ZINC000426714779 1126081542 /nfs/dbraw/zinc/08/15/42/1126081542.db2.gz FLGSAJFAJQLXBK-ZDUSSCGKSA-N 0 0 442.107 4.071 20 0 IIADRN CC(C)(C)c1nc(C[NH2+][C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cs1 ZINC000426717169 1126081790 /nfs/dbraw/zinc/08/17/90/1126081790.db2.gz NBIGWGLXDVSTIK-HNNXBMFYSA-N 0 0 436.375 4.470 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000426718024 1126081800 /nfs/dbraw/zinc/08/18/00/1126081800.db2.gz UQJNRKZUVKQRPD-INIZCTEOSA-N 0 0 439.256 4.317 20 0 IIADRN CCOc1cc(C[NH2+][C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])ccc1OC ZINC000426759876 1126088588 /nfs/dbraw/zinc/08/85/88/1126088588.db2.gz YEIBXWMEHRDNEA-KRWDZBQOSA-N 0 0 447.329 4.123 20 0 IIADRN COc1ccc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])cc1Br ZINC000426761657 1126088751 /nfs/dbraw/zinc/08/87/51/1126088751.db2.gz CHOFCODQCZLSOC-OAHLLOKOSA-N 0 0 443.135 4.006 20 0 IIADRN COc1ccc(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cc1Cl ZINC000426762646 1126088784 /nfs/dbraw/zinc/08/87/84/1126088784.db2.gz MDGNYZPJBVCXTC-MRXNPFEDSA-N 0 0 437.721 4.378 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000426764131 1126089114 /nfs/dbraw/zinc/08/91/14/1126089114.db2.gz VSZKWVKQOWQAEZ-GOSISDBHSA-N 0 0 440.297 4.371 20 0 IIADRN Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000426781062 1126090157 /nfs/dbraw/zinc/09/01/57/1126090157.db2.gz XSXUIHULOZLHJT-OAQYLSRUSA-N 0 0 426.879 4.240 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000426751049 1126087164 /nfs/dbraw/zinc/08/71/64/1126087164.db2.gz SFLXUPLOTAFTIJ-INIZCTEOSA-N 0 0 425.703 4.013 20 0 IIADRN CCOc1cc(C[NH2+][C@@H](Cc2cc(C)cc(C)c2)C(=O)[O-])cc(Br)c1OC ZINC000426824048 1126092851 /nfs/dbraw/zinc/09/28/51/1126092851.db2.gz GFSRLHXYZRTFTB-SFHVURJKSA-N 0 0 436.346 4.259 20 0 IIADRN COc1cccc2cc(C[NH2+][C@H](Cc3c[nH]c4cccc(Br)c34)C(=O)[O-])oc21 ZINC000756385641 1126108483 /nfs/dbraw/zinc/10/84/83/1126108483.db2.gz REBPRUMZXGQNNB-QGZVFWFLSA-N 0 0 443.297 4.471 20 0 IIADRN O=C([O-])[C@H](Cn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC001116779230 1126145843 /nfs/dbraw/zinc/14/58/43/1126145843.db2.gz ATMOMYCYBXUVIU-HNNXBMFYSA-N 0 0 440.750 4.271 20 0 IIADRN O[C@H]([C@H](Cc1ccccc1)NCc1noc(-c2c(F)cccc2Cl)n1)C(F)(F)F ZINC001308034970 1126162291 /nfs/dbraw/zinc/16/22/91/1126162291.db2.gz NZTOHKNVFOZUQY-WMLDXEAASA-N 0 0 429.801 4.153 20 0 IIADRN O=C([O-])[C@@H](Cn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC001321112972 1126171306 /nfs/dbraw/zinc/17/13/06/1126171306.db2.gz IODUNVKVCYLEAO-OAHLLOKOSA-N 0 0 440.750 4.271 20 0 IIADRN CN(Cc1ccccc1Br)C(=O)c1ccc(I)cc1 ZINC000023572385 523356643 /nfs/dbraw/zinc/35/66/43/523356643.db2.gz MXIKVHMBXHAZKA-UHFFFAOYSA-N 0 0 430.083 4.326 20 0 IIADRN O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)NCc1cccs1 ZINC000035291682 527078733 /nfs/dbraw/zinc/07/87/33/527078733.db2.gz VEIQYTBCUNEOSB-UHFFFAOYSA-N 0 0 441.969 4.453 20 0 IIADRN O=C(Nc1ccccc1O)C1CCN(Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000012809624 527428803 /nfs/dbraw/zinc/42/88/03/527428803.db2.gz IWEUBDLCGWLKDQ-UHFFFAOYSA-N 0 0 441.528 4.418 20 0 IIADRN Cc1ccc(-n2nnnc2SCc2nnc(-c3ccccc3Br)o2)cc1 ZINC000003498745 562936279 /nfs/dbraw/zinc/93/62/79/562936279.db2.gz DQDIXBCCMXOAFY-UHFFFAOYSA-N 0 0 429.303 4.076 20 0 IIADRN Cc1sc2nc(CN3CCCC3)nc(N3C[C@H]4c5ccccc5NC(=O)[C@@H]4C3)c2c1C ZINC001164407587 718858362 /nfs/dbraw/zinc/85/83/62/718858362.db2.gz YZEZLNZTOWJIDU-ZWKOTPCHSA-N 0 0 433.581 4.076 20 0 IIADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)C2 ZINC001164409702 718867015 /nfs/dbraw/zinc/86/70/15/718867015.db2.gz SQOFIZOCFAZJBD-UHFFFAOYSA-N 0 0 447.873 4.125 20 0 IIADRN FC1(F)C[C@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164409555 718870477 /nfs/dbraw/zinc/87/04/77/718870477.db2.gz RFCWXAPXTYDMCD-WMZOPIPTSA-N 0 0 442.535 4.282 20 0 IIADRN F[C@]1(N2CC3(C2)CCCOC3)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164414739 718882601 /nfs/dbraw/zinc/88/26/01/718882601.db2.gz WRUXKISYIOBPTP-NRFANRHFSA-N 0 0 437.346 4.034 20 0 IIADRN FC1(F)CO[C@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164424761 718928177 /nfs/dbraw/zinc/92/81/77/718928177.db2.gz PISIPHGDUIBFNX-HOTGVXAUSA-N 0 0 434.556 4.026 20 0 IIADRN O=c1[nH]c2ccccc2n1C1CCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)CC1 ZINC001164621187 719129064 /nfs/dbraw/zinc/12/90/64/719129064.db2.gz LOHNPNWDQDTXRZ-UHFFFAOYSA-N 0 0 428.270 4.311 20 0 IIADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164647219 719292048 /nfs/dbraw/zinc/29/20/48/719292048.db2.gz RBEQCWXVMGLHSD-ZOBUZTSGSA-N 0 0 430.282 4.281 20 0 IIADRN Clc1ccc(OC(Cl)(Cl)N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@H]32)cn1 ZINC001164654349 719295663 /nfs/dbraw/zinc/29/56/63/719295663.db2.gz RHYNKMJEMRUVRN-NUJGCVRESA-N 0 0 444.746 4.046 20 0 IIADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C[C@H]3O2)n1 ZINC001164655367 719301211 /nfs/dbraw/zinc/30/12/11/719301211.db2.gz SYTKLIFJDQBKET-DOPJRALCSA-N 0 0 447.873 4.390 20 0 IIADRN F[C@H](c1ccnc(Cl)c1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164656241 719323052 /nfs/dbraw/zinc/32/30/52/719323052.db2.gz VKPJEKYQVBCPNJ-QFIPXVFZSA-N 0 0 427.911 4.342 20 0 IIADRN COC(=O)c1ccc(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@H]32)nc1Cl ZINC001164662765 719342753 /nfs/dbraw/zinc/34/27/53/719342753.db2.gz RPPGTQJMSDZUAC-NUJGCVRESA-N 0 0 444.906 4.010 20 0 IIADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2CCO[C@@H]3[C@@H](OCC4CCCC4)CC[C@@H]32)c1 ZINC001164662630 719343286 /nfs/dbraw/zinc/34/32/86/719343286.db2.gz QTEZYIGLCDHMFI-BXWFABGCSA-N 0 0 444.906 4.010 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3ncsc31)CC2 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IIADRN COc1cc(C(F)(F)N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)cc(Cl)n1 ZINC001164756983 721026800 /nfs/dbraw/zinc/02/68/00/721026800.db2.gz CCHJMKFFNUPSNP-FXAWDEMLSA-N 0 0 439.890 4.028 20 0 IIADRN FC(F)(c1nc(Cl)ncc1Cl)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164769243 721027711 /nfs/dbraw/zinc/02/77/11/721027711.db2.gz VWLASBBRUOTGKR-KDOFPFPSSA-N 0 0 445.297 4.068 20 0 IIADRN COc1ccc(C(F)(F)N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)c(Cl)n1 ZINC001164763075 721028394 /nfs/dbraw/zinc/02/83/94/721028394.db2.gz JZOTUUCLVROAEQ-OXQOHEQNSA-N 0 0 439.890 4.028 20 0 IIADRN CCn1nnc2c1CCN(C(F)(F)Oc1ccnc(Cl)c1)[C@@H]2COCc1ccccc1 ZINC001164772533 721049519 /nfs/dbraw/zinc/04/95/19/721049519.db2.gz PPUUPAOZCWDXLU-GOSISDBHSA-N 0 0 449.889 4.092 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CC3)c2)n1 ZINC001164766689 721057161 /nfs/dbraw/zinc/05/71/61/721057161.db2.gz FSMRDDPGGWMTSD-OALUTQOASA-N 0 0 432.902 4.241 20 0 IIADRN FC(F)(N1CCC2(CC1)CN(c1ccccn1)CCO2)C1(c2ccc(Cl)nc2)CC1 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ZINC001164942536 721967406 /nfs/dbraw/zinc/96/74/06/721967406.db2.gz CUERRCDWRAWTNF-IRLDBZIGSA-N 0 0 446.929 4.321 20 0 IIADRN c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CCC5(C4)OCCO5)c23)c1 ZINC001165047786 721985705 /nfs/dbraw/zinc/98/57/05/721985705.db2.gz PWTOQYYNFYGRCX-UHFFFAOYSA-N 0 0 442.610 4.359 20 0 IIADRN CC(C)(C)OC(=O)[C@@H]1CCCN(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)C1 ZINC001165052455 721993068 /nfs/dbraw/zinc/99/30/68/721993068.db2.gz ZCCNJCWULMCRPN-QGZVFWFLSA-N 0 0 428.964 4.204 20 0 IIADRN Cc1sc2nc(CN3CCCC3)nc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)c2c1C ZINC001165052052 721993648 /nfs/dbraw/zinc/99/36/48/721993648.db2.gz QDERHCPNELEJML-QGZVFWFLSA-N 0 0 430.618 4.462 20 0 IIADRN FC(F)(F)c1nnc(N2CCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)CC2)s1 ZINC001165052105 721999769 /nfs/dbraw/zinc/99/97/69/721999769.db2.gz MXFBZWUJUXGXPL-UHFFFAOYSA-N 0 0 439.841 4.052 20 0 IIADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)C[C@H]21 ZINC001164954577 722005169 /nfs/dbraw/zinc/00/51/69/722005169.db2.gz YXAFPRBRURMENQ-KGLIPLIRSA-N 0 0 440.885 4.333 20 0 IIADRN COc1ccc(C(F)(F)N2CCN(Cc3cccnc3)c3nc(C)ccc3C2)nc1Cl ZINC001164952226 722006248 /nfs/dbraw/zinc/00/62/48/722006248.db2.gz LIKNUZFGPUZDLP-UHFFFAOYSA-N 0 0 445.901 4.414 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCN(CCc2ccccn2)CC1 ZINC001165055232 722019378 /nfs/dbraw/zinc/01/93/78/722019378.db2.gz NGOTYMRCKNJPRU-UHFFFAOYSA-N 0 0 429.902 4.102 20 0 IIADRN Fc1cccc(-c2cc(C(F)(F)N3CCN(CCc4ccccn4)CC3)c(Cl)nn2)c1 ZINC001165056171 722020970 /nfs/dbraw/zinc/02/09/70/722020970.db2.gz YDVPBFRZZMSGEA-UHFFFAOYSA-N 0 0 447.892 4.241 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cc(Cl)cnc1Cl ZINC001164960584 722028207 /nfs/dbraw/zinc/02/82/07/722028207.db2.gz LAFUVQYGGVKHFF-ZNMIVQPWSA-N 0 0 434.245 4.283 20 0 IIADRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4cnc(Cl)nc4Cl)C3)CC2=O)s1 ZINC001164957232 722043551 /nfs/dbraw/zinc/04/35/51/722043551.db2.gz AHDFCSLJBRKHPS-MRXNPFEDSA-N 0 0 433.311 4.332 20 0 IIADRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4nc(Cl)cc(Cl)n4)C3)CC2=O)s1 ZINC001164964859 722043555 /nfs/dbraw/zinc/04/35/55/722043555.db2.gz VOVGRVODFSEWPT-INIZCTEOSA-N 0 0 433.311 4.332 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C[C@@H]21 ZINC001164956687 722048546 /nfs/dbraw/zinc/04/85/46/722048546.db2.gz CMRDLJXXBLKVPU-QAPCUYQASA-N 0 0 444.869 4.286 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C[C@H]21 ZINC001164957034 722048741 /nfs/dbraw/zinc/04/87/41/722048741.db2.gz HBQHBFUMBKAAAI-MAUKXSAKSA-N 0 0 444.869 4.286 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)C[C@H]21 ZINC001164959631 722049646 /nfs/dbraw/zinc/04/96/46/722049646.db2.gz QTMHXVODPGCHAW-KBXCAEBGSA-N 0 0 435.902 4.493 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)C[C@@H]21 ZINC001164959632 722049665 /nfs/dbraw/zinc/04/96/65/722049665.db2.gz QTMHXVODPGCHAW-KDOFPFPSSA-N 0 0 435.902 4.493 20 0 IIADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001164961157 722050626 /nfs/dbraw/zinc/05/06/26/722050626.db2.gz SSBNDKXOJXOSHJ-UHFFFAOYSA-N 0 0 442.857 4.137 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cnc(Cl)c(N)c2)[C@@H]3C)c1 ZINC001164966431 722063471 /nfs/dbraw/zinc/06/34/71/722063471.db2.gz SPOUPSOVJMIGSV-CQSZACIVSA-N 0 0 448.905 4.060 20 0 IIADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C[C@@H]2C1 ZINC001164977715 722086003 /nfs/dbraw/zinc/08/60/03/722086003.db2.gz XSMZBMCUKHARJK-IRXDYDNUSA-N 0 0 446.929 4.473 20 0 IIADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164984419 722091914 /nfs/dbraw/zinc/09/19/14/722091914.db2.gz VZZMBBQGWIHJBV-CQSZACIVSA-N 0 0 437.922 4.069 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3ccnc(Cl)c3Cl)C[C@H]21 ZINC001164977939 722097101 /nfs/dbraw/zinc/09/71/01/722097101.db2.gz IPSVNOYLPNICOA-CKEIUWERSA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc43)C[C@@H]21 ZINC001164985868 722097537 /nfs/dbraw/zinc/09/75/37/722097537.db2.gz XGLDNFJMDVPZJO-TXPKVOOTSA-N 0 0 445.901 4.307 20 0 IIADRN O=C1CC2(CCN(C(F)(F)c3cnc(Cl)nc3)CC2)c2ccccc2N1CC1CC1 ZINC001164973077 722160743 /nfs/dbraw/zinc/16/07/43/722160743.db2.gz KTKIZYYSBIUNGP-UHFFFAOYSA-N 0 0 432.902 4.360 20 0 IIADRN O=C1CC2(CCN(C(F)(F)c3cnnc(Cl)c3)CC2)c2ccccc2N1CC1CC1 ZINC001164973821 722160815 /nfs/dbraw/zinc/16/08/15/722160815.db2.gz MIBOFXDHAHTMHH-UHFFFAOYSA-N 0 0 432.902 4.360 20 0 IIADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C2)C1=O ZINC001164982155 722162777 /nfs/dbraw/zinc/16/27/77/722162777.db2.gz UTIZGMKDDFTISE-QFIPXVFZSA-N 0 0 440.881 4.466 20 0 IIADRN NC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]2[C@H](C1)c1ccccc1[C@H]2OCC1CC1 ZINC001164978793 722171332 /nfs/dbraw/zinc/17/13/32/722171332.db2.gz SHKLMOKHSORFTL-FUHIMQAGSA-N 0 0 433.886 4.080 20 0 IIADRN CN(C)c1cc(C(F)(F)N2C[C@@H]3c4ccccc4[C@@H](OCC4CC4)[C@@H]3C2)nc(Cl)n1 ZINC001164978673 722171691 /nfs/dbraw/zinc/17/16/91/722171691.db2.gz ROUCUYFLBILOND-MBOZVWFJSA-N 0 0 434.918 4.442 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cc(C)nc(Cl)c4)CC[C@@H]32)cs1 ZINC001164986862 722175094 /nfs/dbraw/zinc/17/50/94/722175094.db2.gz LVZNWSPQRCAYGJ-ZWKOTPCHSA-N 0 0 442.963 4.223 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5c4CCCCC5)CC[C@H]32)cs1 ZINC001164989908 722180780 /nfs/dbraw/zinc/18/07/80/722180780.db2.gz MMJBLLLYRZXSKJ-UXHICEINSA-N 0 0 448.036 4.034 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc5ccc(C)cc5nc4Cl)CC[C@H]32)cs1 ZINC001164993859 722180834 /nfs/dbraw/zinc/18/08/34/722180834.db2.gz XGRIBCAEJHYEKM-UXHICEINSA-N 0 0 444.004 4.226 20 0 IIADRN CSc1ccnc(Cl)c1N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@@H]2CC1 ZINC001164986648 722183882 /nfs/dbraw/zinc/18/38/82/722183882.db2.gz DZENGAAYTQEJEX-HZPDHXFCSA-N 0 0 425.023 4.092 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(F)cc5ncnc(Cl)c54)CC[C@H]32)cs1 ZINC001164987042 722184642 /nfs/dbraw/zinc/18/46/42/722184642.db2.gz ISLMZFBZCQQTQN-MJGOQNOKSA-N 0 0 447.967 4.057 20 0 IIADRN Cc1c[nH]c2nc(Cl)cc(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)c12 ZINC001164992319 722184876 /nfs/dbraw/zinc/18/48/76/722184876.db2.gz VVWYETRITAFRHH-AEFFLSMTSA-N 0 0 431.993 4.159 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(C)nc(-c5ccsc5)n4)CC[C@@H]32)cs1 ZINC001164985310 722185728 /nfs/dbraw/zinc/18/57/28/722185728.db2.gz BDCANYDUKWCTQC-PMACEKPBSA-N 0 0 441.626 4.148 20 0 IIADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164991888 722187829 /nfs/dbraw/zinc/18/78/29/722187829.db2.gz QJYPLCSLWSJQMP-SFHVURJKSA-N 0 0 441.950 4.259 20 0 IIADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)[C@H]2C1 ZINC001164996950 722217443 /nfs/dbraw/zinc/21/74/43/722217443.db2.gz PAEBMJNFCYDMNL-ZOCIIQOWSA-N 0 0 441.950 4.057 20 0 IIADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)cn1)CC2 ZINC001165000418 722221096 /nfs/dbraw/zinc/22/10/96/722221096.db2.gz XOTACOAXTNFTQP-LJQANCHMSA-N 0 0 432.902 4.255 20 0 IIADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)Oc1cnc(Cl)cn1)CC2 ZINC001165000412 722221841 /nfs/dbraw/zinc/22/18/41/722221841.db2.gz XLTCNONXLFECIX-LJQANCHMSA-N 0 0 448.901 4.135 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cc(Cl)cnc2Cl)n1 ZINC001165000049 722226179 /nfs/dbraw/zinc/22/61/79/722226179.db2.gz PLQIAWGPOXDQAT-AWEZNQCLSA-N 0 0 432.302 4.147 20 0 IIADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2ccc3nc(Cl)cnc3c2)n1 ZINC001165000453 722226323 /nfs/dbraw/zinc/22/63/23/722226323.db2.gz RWZFOZHFXZMRCY-QGZVFWFLSA-N 0 0 448.905 4.042 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2nc3ccccc3nc2Cl)n1 ZINC001164998828 722226692 /nfs/dbraw/zinc/22/66/92/722226692.db2.gz FNNYUHQJDUNION-INIZCTEOSA-N 0 0 448.905 4.042 20 0 IIADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)c2cc(C)nnc2Cl)CC3)cs1 ZINC001165004857 722272984 /nfs/dbraw/zinc/27/29/84/722272984.db2.gz DDPDUFFYZLMLJA-OAHLLOKOSA-N 0 0 444.935 4.093 20 0 IIADRN O=C([O-])[C@@]1(NC(=O)Cc2cc3c(ccc4ccccc34)o2)CCC[N@H+](Cc2ccccc2)C1 ZINC001123270586 939818626 /nfs/dbraw/zinc/81/86/26/939818626.db2.gz JJGSIEVEADMTCQ-HHHXNRCGSA-N 0 0 442.515 4.364 20 0 IIADRN Cc1ccc(-c2ncc(C(=O)N[C@]3(C(=O)[O-])CCC[N@H+](Cc4ccccc4)C3)s2)c(C)c1 ZINC001123372133 939821409 /nfs/dbraw/zinc/82/14/09/939821409.db2.gz JNBGWAPOOBMFPZ-RUZDIDTESA-N 0 0 449.576 4.276 20 0 IIADRN CC[C@H](C)Oc1ccccc1/C=C\C(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123372739 939822614 /nfs/dbraw/zinc/82/26/14/939822614.db2.gz SKYYIAWQWPATDG-YYPPWSSYSA-N 0 0 436.552 4.113 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000426675090 1126081453 /nfs/dbraw/zinc/08/14/53/1126081453.db2.gz PCTKEEUBFVHOLO-IBGZPJMESA-N 0 0 428.414 4.158 20 0 IIADRN CCOc1cc(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])cc(Br)c1OC(F)F ZINC000426683131 1126081553 /nfs/dbraw/zinc/08/15/53/1126081553.db2.gz OXGUYINYEHMYFC-OAHLLOKOSA-N 0 0 444.272 4.235 20 0 IIADRN COc1ccc(OCc2nc(C[NH2+][C@@H](Cc3cccc(Cl)c3)C(=O)[O-])cs2)cc1 ZINC000426740246 1126085380 /nfs/dbraw/zinc/08/53/80/1126085380.db2.gz AJHKCRHSLKFLTF-IBGZPJMESA-N 0 0 432.929 4.170 20 0 IIADRN Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])o1 ZINC000426728850 1126083802 /nfs/dbraw/zinc/08/38/02/1126083802.db2.gz XYPOGCWWCRPUCF-FQEVSTJZSA-N 0 0 425.456 4.341 20 0 IIADRN O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426730288 1126084109 /nfs/dbraw/zinc/08/41/09/1126084109.db2.gz KSKHFUAYVTZSFJ-INIZCTEOSA-N 0 0 443.693 4.152 20 0 IIADRN COc1cc(C[NH2+][C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc(Br)c1O ZINC000426737631 1126085220 /nfs/dbraw/zinc/08/52/20/1126085220.db2.gz OVIXSVPJOFQYQP-CQSZACIVSA-N 0 0 449.128 4.256 20 0 IIADRN C[C@@H]1CCc2nc(C[NH2+][C@@H](Cc3c[nH]c4cccc(Br)c34)C(=O)[O-])sc2C1 ZINC000426759916 1126088539 /nfs/dbraw/zinc/08/85/39/1126088539.db2.gz OYRVOJHDWJCBLE-BZNIZROVSA-N 0 0 448.386 4.297 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000426799275 1126091096 /nfs/dbraw/zinc/09/10/96/1126091096.db2.gz KSXQNUFWIHGBTH-HXUWFJFHSA-N 0 0 439.313 4.106 20 0 IIADRN CC(C)(C)c1ncc(C[NH2+][C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])s1 ZINC000426789184 1126090762 /nfs/dbraw/zinc/09/07/62/1126090762.db2.gz SJXKTYVSQLKASI-INIZCTEOSA-N 0 0 436.375 4.470 20 0 IIADRN COc1cc(C[NH2+][C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])ccc1OCC(F)(F)F ZINC000426743766 1126086091 /nfs/dbraw/zinc/08/60/91/1126086091.db2.gz BHIQZIGSSKAZSV-HNNXBMFYSA-N 0 0 435.801 4.214 20 0 IIADRN COc1ccc(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])c(Cl)c1 ZINC000426755482 1126087958 /nfs/dbraw/zinc/08/79/58/1126087958.db2.gz ZSBNPOFDCSVLOV-QGZVFWFLSA-N 0 0 437.721 4.378 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000574105549 1126098153 /nfs/dbraw/zinc/09/81/53/1126098153.db2.gz VBKNNQSEOUMILM-GOSISDBHSA-N 0 0 434.721 4.074 20 0 IIADRN COc1cccc2cc(C[NH2+][C@@H](Cc3c[nH]c4cccc(Br)c34)C(=O)[O-])oc21 ZINC000756385640 1126108421 /nfs/dbraw/zinc/10/84/21/1126108421.db2.gz REBPRUMZXGQNNB-KRWDZBQOSA-N 0 0 443.297 4.471 20 0 IIADRN COc1ccccc1C[C@](C)(CO)NCc1csc(COc2ccc(Cl)cc2)n1 ZINC001460693257 1126191702 /nfs/dbraw/zinc/19/17/02/1126191702.db2.gz DLNDHRYGUTXHHX-JOCHJYFZSA-N 0 0 432.973 4.467 20 0 IIADRN O=c1nc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)[nH]c2scc(-c3ccco3)c21 ZINC001560100002 1126207398 /nfs/dbraw/zinc/20/73/98/1126207398.db2.gz CAVMBVVTPVDZAH-RDTXWAMCSA-N 0 0 449.454 4.281 20 0 IIADRN CC(=O)N(c1nc(CN[C@@](C)(CO)Cc2ccc(F)cc2)cs1)c1ccc(F)cc1 ZINC001620625281 1126242348 /nfs/dbraw/zinc/24/23/48/1126242348.db2.gz PWEOPENVTJKDMR-JOCHJYFZSA-N 0 0 431.508 4.189 20 0 IIADRN COc1ccccc1CCNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000018225191 563022288 /nfs/dbraw/zinc/02/22/88/563022288.db2.gz JAOTYSJTKIMEBR-UHFFFAOYSA-N 0 0 430.460 4.019 20 0 IIADRN Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4c5ccccc5NC(=O)[C@@H]4C3)c2c1C ZINC001164401474 718858347 /nfs/dbraw/zinc/85/83/47/718858347.db2.gz FDPOKPRTZWZNKC-RTBURBONSA-N 0 0 447.608 4.466 20 0 IIADRN FC1(F)C[C@@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164409554 718870367 /nfs/dbraw/zinc/87/03/67/718870367.db2.gz RFCWXAPXTYDMCD-SJLPKXTDSA-N 0 0 442.535 4.282 20 0 IIADRN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164650664 719290559 /nfs/dbraw/zinc/29/05/59/719290559.db2.gz ZPVIGGSOYILNAC-GDLCADMTSA-N 0 0 437.903 4.457 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164649356 719291910 /nfs/dbraw/zinc/29/19/10/719291910.db2.gz WKIXSKUEDMZYCC-DAYGRLMNSA-N 0 0 430.282 4.281 20 0 IIADRN F[C@@H](Oc1cccc(Cl)n1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164656540 719323061 /nfs/dbraw/zinc/32/30/61/719323061.db2.gz XSXBPHCKIXHCNM-JOCHJYFZSA-N 0 0 443.910 4.006 20 0 IIADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)C[C@@H]2CCCO[C@H]12 ZINC001164653337 719324743 /nfs/dbraw/zinc/32/47/43/719324743.db2.gz HNXMBHQPRDURIH-SCWSEQNSSA-N 0 0 449.929 4.333 20 0 IIADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001164663203 719342769 /nfs/dbraw/zinc/34/27/69/719342769.db2.gz WFZFSBAIKKRIMZ-SCTDSRPQSA-N 0 0 444.906 4.010 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cnc1Cl)CC2 ZINC001164664550 719349595 /nfs/dbraw/zinc/34/95/95/719349595.db2.gz XZPPKTRGAAZNAG-UHFFFAOYSA-N 0 0 443.382 4.478 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)c(F)cc1N)CC2 ZINC001164658587 719352741 /nfs/dbraw/zinc/35/27/41/719352741.db2.gz JULADZFSBIWWMT-UHFFFAOYSA-N 0 0 440.954 4.151 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3c(n1)CCCC3)CC2 ZINC001164659541 719355590 /nfs/dbraw/zinc/35/55/90/719355590.db2.gz QRTJXPOZHWIPNJ-UHFFFAOYSA-N 0 0 428.584 4.050 20 0 IIADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164663948 719359087 /nfs/dbraw/zinc/35/90/87/719359087.db2.gz JRSIQTYZXHIRQS-UHFFFAOYSA-N 0 0 449.354 4.477 20 0 IIADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164664560 719359470 /nfs/dbraw/zinc/35/94/70/719359470.db2.gz OGVUBWBONKPWSQ-UHFFFAOYSA-N 0 0 449.354 4.477 20 0 IIADRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164662993 719361202 /nfs/dbraw/zinc/36/12/02/719361202.db2.gz GYEZJIQVPIDIEI-MRXNPFEDSA-N 0 0 449.889 4.188 20 0 IIADRN CN1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4C(F)(F)F)c3)C[C@H]21 ZINC001164668993 719474660 /nfs/dbraw/zinc/47/46/60/719474660.db2.gz SBQCLOHTHWMOAX-SJORKVTESA-N 0 0 447.835 4.485 20 0 IIADRN CN1CCO[C@@H]2CN(C(F)(F)c3ccccc3-c3nc(Cl)c4ccccc4n3)C[C@H]21 ZINC001164669838 719488058 /nfs/dbraw/zinc/48/80/58/719488058.db2.gz VUVGLHIJCMULMT-RTBURBONSA-N 0 0 430.886 4.014 20 0 IIADRN CSc1nc2sccc2c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1 ZINC001164673876 719496649 /nfs/dbraw/zinc/49/66/49/719496649.db2.gz SSSUFUNNWWZIBY-UHFFFAOYSA-N 0 0 444.601 4.424 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2nnc(Cl)c4ccsc42)CC3)cc1 ZINC001164671246 719499947 /nfs/dbraw/zinc/49/99/47/719499947.db2.gz DBIKKUNDGYYHTK-UHFFFAOYSA-N 0 0 432.952 4.355 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2nc4ccccc4nc2Cl)CC3)cc1 ZINC001164673889 719503625 /nfs/dbraw/zinc/50/36/25/719503625.db2.gz UEOIZSXDYHFGHD-UHFFFAOYSA-N 0 0 426.923 4.294 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2nnc(Cl)c4c2CCCC4)CC3)cc1 ZINC001164672317 719506520 /nfs/dbraw/zinc/50/65/20/719506520.db2.gz KDTHLQSLQBRZHN-UHFFFAOYSA-N 0 0 430.955 4.019 20 0 IIADRN CSc1nc2ccsc2c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1 ZINC001164671434 719506898 /nfs/dbraw/zinc/50/68/98/719506898.db2.gz FKLZQEIVEATOAG-UHFFFAOYSA-N 0 0 444.601 4.424 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2nc4c(nc2Cl)CCCC4)CC3)cc1 ZINC001164678924 719533552 /nfs/dbraw/zinc/53/35/52/719533552.db2.gz OMTXLAJSCVTCSJ-UHFFFAOYSA-N 0 0 430.955 4.019 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1cc(Cl)nc(Cl)c1)C[C@@H]2COc1cccnc1 ZINC001164684876 719595425 /nfs/dbraw/zinc/59/54/25/719595425.db2.gz KOJRLKRSFXUEDM-GFCCVEGCSA-N 0 0 440.281 4.245 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1cc(Cl)nc(Cl)c1)C[C@H]2COc1cccnc1 ZINC001164684879 719595549 /nfs/dbraw/zinc/59/55/49/719595549.db2.gz KOJRLKRSFXUEDM-LBPRGKRZSA-N 0 0 440.281 4.245 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)C[C@@H]2COc1cccnc1 ZINC001164688784 719598807 /nfs/dbraw/zinc/59/88/07/719598807.db2.gz ZVMWNOLFSMHSPS-CQSZACIVSA-N 0 0 444.873 4.073 20 0 IIADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cccc3c(Cl)nccc32)N1Cc1cccnc1 ZINC001164690648 719770777 /nfs/dbraw/zinc/77/07/77/719770777.db2.gz GNXIUKFXRBHLFV-RTBURBONSA-N 0 0 428.870 4.208 20 0 IIADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2cc(Cl)nc(C)n2)CC3)cs1 ZINC001164690825 719805490 /nfs/dbraw/zinc/80/54/90/719805490.db2.gz AHEKESKPZSJYBD-UHFFFAOYSA-N 0 0 427.952 4.383 20 0 IIADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2cc(C)nnc2Cl)CC3)cs1 ZINC001164691261 719813777 /nfs/dbraw/zinc/81/37/77/719813777.db2.gz CAGKEEMWIFOJFC-UHFFFAOYSA-N 0 0 427.952 4.383 20 0 IIADRN CN(C)c1ccc(-c2ccnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)n2)cc1 ZINC001164699010 719896124 /nfs/dbraw/zinc/89/61/24/719896124.db2.gz VLJYCZNHNOTTKQ-UHFFFAOYSA-N 0 0 449.624 4.143 20 0 IIADRN Cc1noc([C@]23COC[C@@H]2CN(C(F)(F)c2cnc(Cl)c(-c4cccc(C)c4)c2)C3)n1 ZINC001164808551 720064026 /nfs/dbraw/zinc/06/40/26/720064026.db2.gz HZPKMGHYDBPJIJ-LAUBAEHRSA-N 0 0 446.885 4.351 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3ccc(OC)cc3)nnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164710744 720066520 /nfs/dbraw/zinc/06/65/20/720066520.db2.gz GJOQTWNAYMCTLS-IPMKNSEASA-N 0 0 439.890 4.123 20 0 IIADRN Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)cn1 ZINC001164712178 720069911 /nfs/dbraw/zinc/06/99/11/720069911.db2.gz JZMZZLUYZRYBKL-RTBURBONSA-N 0 0 443.885 4.065 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)nc2Cl)cs1 ZINC001164817387 720249277 /nfs/dbraw/zinc/24/92/77/720249277.db2.gz QVEDVQMAEJXIFS-KGLIPLIRSA-N 0 0 447.338 4.468 20 0 IIADRN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cccc2c(Cl)nccc21 ZINC001164723792 720315049 /nfs/dbraw/zinc/31/50/49/720315049.db2.gz PGGNSJZLDNPTRZ-IBGZPJMESA-N 0 0 447.917 4.450 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3F)[C@H]3CCCO[C@@H]23)cs1 ZINC001164826078 720386686 /nfs/dbraw/zinc/38/66/86/720386686.db2.gz WKUIYAOUHVXOJE-SQWLQELKSA-N 0 0 433.883 4.137 20 0 IIADRN Cc1nc(CO[C@H]2CN(C(F)(F)c3cc(C)nc(Cl)c3)[C@@H]3CCCO[C@@H]32)cs1 ZINC001164822877 720387173 /nfs/dbraw/zinc/38/71/73/720387173.db2.gz MRAABJVOFNFPPR-RYRKJORJSA-N 0 0 429.920 4.306 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3F)[C@H]3CCCO[C@H]23)cs1 ZINC001164821525 720389108 /nfs/dbraw/zinc/38/91/08/720389108.db2.gz HOSVXIDXAYDDGZ-LZWOXQAQSA-N 0 0 433.883 4.137 20 0 IIADRN FC(F)(Oc1cnc(Cl)cn1)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164832079 720397086 /nfs/dbraw/zinc/39/70/86/720397086.db2.gz ZCBRQPXCUMEPOR-KRWDZBQOSA-N 0 0 430.833 4.297 20 0 IIADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164727000 720447111 /nfs/dbraw/zinc/44/71/11/720447111.db2.gz CPEYLBMNWKTVIG-ZWKOTPCHSA-N 0 0 431.874 4.183 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc(Cl)nc3Cl)CC[C@@H]21)N1CCCCC1 ZINC001164834774 720497015 /nfs/dbraw/zinc/49/70/15/720497015.db2.gz UQFNLRDHTDVABD-YCPHGPKFSA-N 0 0 448.341 4.177 20 0 IIADRN CC(C)(c1ccnc(Cl)c1)N1CCOC[C@]2(C[C@@H](CNc3cccc(F)c3)CO2)C1 ZINC001164731591 720497509 /nfs/dbraw/zinc/49/75/09/720497509.db2.gz WPIRSQDRSGJYMX-SBUREZEXSA-N 0 0 433.955 4.329 20 0 IIADRN CC[C@@H]1N(c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)CCC[C@]12CCC(=O)N2 ZINC001164844689 720756828 /nfs/dbraw/zinc/75/68/28/720756828.db2.gz CLIIIYMSRVOFQE-DFBJGRDBSA-N 0 0 449.624 4.448 20 0 IIADRN FC(F)(c1nc(Cl)ncc1Cl)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164845852 720772728 /nfs/dbraw/zinc/77/27/28/720772728.db2.gz GJSWDEHNZHDXRF-IMJJTQAJSA-N 0 0 445.297 4.066 20 0 IIADRN Fc1cc(C(F)(F)N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)cnc1Cl ZINC001164850966 720773038 /nfs/dbraw/zinc/77/30/38/720773038.db2.gz YKBGCTIVFDHXJY-SZMVWBNQSA-N 0 0 427.854 4.157 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164845691 720773878 /nfs/dbraw/zinc/77/38/78/720773878.db2.gz GFKSQUMQMACAHB-PVAVHDDUSA-N 0 0 427.854 4.157 20 0 IIADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)n4)C3)C2=O)c1 ZINC001164852746 720806100 /nfs/dbraw/zinc/80/61/00/720806100.db2.gz OQUKLLDGDVCGQC-LJQANCHMSA-N 0 0 441.309 4.266 20 0 IIADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4nc(Cl)cc(Cl)n4)C3)C2=O)c1 ZINC001164852698 720807108 /nfs/dbraw/zinc/80/71/08/720807108.db2.gz OKMDGSHYNJJNRX-LJQANCHMSA-N 0 0 441.309 4.266 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C1)C[C@H](NC(=O)c1ccccc1)CCO2 ZINC001164859415 720899577 /nfs/dbraw/zinc/89/95/77/720899577.db2.gz QDWIZIWZCZSDAS-UTKZUKDTSA-N 0 0 435.902 4.146 20 0 IIADRN FC(F)(c1cccc2ccnc(Cl)c21)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@@H]21 ZINC001164762402 721006937 /nfs/dbraw/zinc/00/69/37/721006937.db2.gz VLBKREHMCDTFHN-NEWSRXKRSA-N 0 0 431.870 4.249 20 0 IIADRN Fc1cc(C(F)(F)N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)cnc1Cl ZINC001164766883 721028007 /nfs/dbraw/zinc/02/80/07/721028007.db2.gz RRVKVVWDLQYUJV-QFBILLFUSA-N 0 0 427.854 4.159 20 0 IIADRN COc1ccc(C(F)(F)N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1Cl ZINC001164770519 721028648 /nfs/dbraw/zinc/02/86/48/721028648.db2.gz YJVHRGFXNBZSOZ-OXQOHEQNSA-N 0 0 439.890 4.028 20 0 IIADRN COc1ccc(C(F)(F)N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)nc1Cl ZINC001164770522 721028822 /nfs/dbraw/zinc/02/88/22/721028822.db2.gz YJVHRGFXNBZSOZ-UZLBHIALSA-N 0 0 439.890 4.028 20 0 IIADRN Cc1nc(C(F)(F)N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)nc(Cl)c1C ZINC001164762925 721029660 /nfs/dbraw/zinc/02/96/60/721029660.db2.gz JFUKKBJJQOIDRP-PXNSSMCTSA-N 0 0 438.906 4.031 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)cc2Cl)n1 ZINC001164769524 721050752 /nfs/dbraw/zinc/05/07/52/721050752.db2.gz JJWPENNRUCSSSZ-HZPDHXFCSA-N 0 0 427.282 4.017 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(Cl)c2)n1 ZINC001164770911 721050766 /nfs/dbraw/zinc/05/07/66/721050766.db2.gz LEUMQWWNDLKLAG-CABCVRRESA-N 0 0 427.282 4.017 20 0 IIADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164869567 721218717 /nfs/dbraw/zinc/21/87/17/721218717.db2.gz DAXOOWFINZKRQR-UHFFFAOYSA-N 0 0 445.901 4.099 20 0 IIADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164872026 721250011 /nfs/dbraw/zinc/25/00/11/721250011.db2.gz CMXWWQVCGNANBQ-ZNMIVQPWSA-N 0 0 445.297 4.015 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164767514 721270371 /nfs/dbraw/zinc/27/03/71/721270371.db2.gz RRFCOFUVRYBSFH-UHFFFAOYSA-N 0 0 434.849 4.489 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2CN(C(=O)c3ccsc3)CCO[C@H]2C1 ZINC001164876593 721297741 /nfs/dbraw/zinc/29/77/41/721297741.db2.gz JCRQNFSIYNKBKT-HOCLYGCPSA-N 0 0 441.931 4.017 20 0 IIADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164880002 721310833 /nfs/dbraw/zinc/31/08/33/721310833.db2.gz OPGWOYDZOJKFSB-APHBMKBZSA-N 0 0 430.282 4.391 20 0 IIADRN CSc1ccc(C(F)(F)N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)nc1Cl ZINC001164878471 721312920 /nfs/dbraw/zinc/31/29/20/721312920.db2.gz LFJQCEHOAUTURA-RRFJBIMHSA-N 0 0 441.931 4.460 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)C[C@@H]2C)C1=O ZINC001164777499 721317780 /nfs/dbraw/zinc/31/77/80/721317780.db2.gz KCANPVXTAQULCB-BBATYDOGSA-N 0 0 429.298 4.176 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CC2 ZINC001164874658 721318042 /nfs/dbraw/zinc/31/80/42/721318042.db2.gz DKEDAOBUUCXPLW-GOSISDBHSA-N 0 0 442.897 4.328 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cccc3c(Cl)ncnc31)CC2 ZINC001164880814 721318360 /nfs/dbraw/zinc/31/83/60/721318360.db2.gz ZXNJLDLTSBHKNI-SFHVURJKSA-N 0 0 442.897 4.328 20 0 IIADRN CCN1CC[C@@]2(CN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)C[C@@H]2C)C1=O ZINC001164778941 721318858 /nfs/dbraw/zinc/31/88/58/721318858.db2.gz RVECXQOQNCFMIG-VOJFVSQTSA-N 0 0 429.298 4.176 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)C[C@@H]2C)C1=O ZINC001164776971 721318924 /nfs/dbraw/zinc/31/89/24/721318924.db2.gz HXNCRVWDGGXSLG-BBATYDOGSA-N 0 0 429.298 4.176 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001164776349 721326415 /nfs/dbraw/zinc/32/64/15/721326415.db2.gz DTWHVNTXROHOBR-CQSZACIVSA-N 0 0 427.854 4.329 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3c(Cl)ccnc3Cl)C2)C1 ZINC001164779761 721348691 /nfs/dbraw/zinc/34/86/91/721348691.db2.gz VVQCUZJMZDSLLK-FQEVSTJZSA-N 0 0 425.360 4.112 20 0 IIADRN CSc1ccnc(Cl)c1N1CCC[C@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC001164780101 721356772 /nfs/dbraw/zinc/35/67/72/721356772.db2.gz DGYMDKMCCLSIQO-NRFANRHFSA-N 0 0 437.009 4.181 20 0 IIADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)N1c1ccsc1 ZINC001164882585 721357516 /nfs/dbraw/zinc/35/75/16/721357516.db2.gz JYZNTRKNVKYELC-GJZGRUSLSA-N 0 0 447.898 4.183 20 0 IIADRN FC(F)(Oc1cccnc1Cl)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164780158 721383772 /nfs/dbraw/zinc/38/37/72/721383772.db2.gz FFEJWZDXDCKBEP-PXNSSMCTSA-N 0 0 439.890 4.147 20 0 IIADRN c1csc(CN2C[C@@H]3CN(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)C[C@@H]3C2)n1 ZINC001164784941 721408219 /nfs/dbraw/zinc/40/82/19/721408219.db2.gz LXSZRNBZKVRHAI-OYRHEFFESA-N 0 0 440.576 4.230 20 0 IIADRN c1csc(CN2C[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C[C@H]3C2)n1 ZINC001164787205 721421075 /nfs/dbraw/zinc/42/10/75/721421075.db2.gz PRHRPLSQAADICT-FGZHOGPDSA-N 0 0 448.592 4.209 20 0 IIADRN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164791018 721426051 /nfs/dbraw/zinc/42/60/51/721426051.db2.gz ZANXYLKTSLNXQH-QRVBRYPASA-N 0 0 434.613 4.033 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164783689 721433203 /nfs/dbraw/zinc/43/32/03/721433203.db2.gz JJTQJNKDVKHEIJ-IYBDPMFKSA-N 0 0 447.942 4.367 20 0 IIADRN Cc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c1 ZINC001164782540 721436208 /nfs/dbraw/zinc/43/62/08/721436208.db2.gz GLYPMZFHDLPYRJ-HOTGVXAUSA-N 0 0 427.961 4.255 20 0 IIADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4nc(Cl)ccc4F)C3)C2=O)cs1 ZINC001164885989 721461086 /nfs/dbraw/zinc/46/10/86/721461086.db2.gz GBNUVDCHPVUUGF-GOSISDBHSA-N 0 0 444.910 4.203 20 0 IIADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)n1 ZINC001164888232 721465275 /nfs/dbraw/zinc/46/52/75/721465275.db2.gz FKXUPJXDGQVQDM-MOPGFXCFSA-N 0 0 443.661 4.233 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1Cc2nccn2C[C@H](COCc2ccccn2)C1 ZINC001164889725 721469378 /nfs/dbraw/zinc/46/93/78/721469378.db2.gz IFRWJILBPIZZPZ-INIZCTEOSA-N 0 0 433.890 4.033 20 0 IIADRN CN1Cc2ccccc2CC2(CCN(C(F)(F)c3cnc(Cl)nc3Cl)CC2)C1=O ZINC001164896240 721473172 /nfs/dbraw/zinc/47/31/72/721473172.db2.gz VYTIOPNEUMCRNE-UHFFFAOYSA-N 0 0 441.309 4.130 20 0 IIADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001164895618 721474052 /nfs/dbraw/zinc/47/40/52/721474052.db2.gz SODZXSRVURPKES-IBGZPJMESA-N 0 0 441.309 4.490 20 0 IIADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001164895621 721474152 /nfs/dbraw/zinc/47/41/52/721474152.db2.gz SODZXSRVURPKES-LJQANCHMSA-N 0 0 441.309 4.490 20 0 IIADRN Fc1cccnc1OC[C@@]12COC[C@@H]1CN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164793201 721486578 /nfs/dbraw/zinc/48/65/78/721486578.db2.gz PEEHKVZIAZJBGW-YCRPNKLZSA-N 0 0 449.860 4.499 20 0 IIADRN Fc1cccnc1OC[C@]12COC[C@H]1CN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164793213 721487150 /nfs/dbraw/zinc/48/71/50/721487150.db2.gz PRIVJSNHKVQLOB-VFNWGFHPSA-N 0 0 449.860 4.499 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)c1 ZINC001164791162 721487590 /nfs/dbraw/zinc/48/75/90/721487590.db2.gz BRWPVDLTWDCKRT-XIKOKIGWSA-N 0 0 445.894 4.068 20 0 IIADRN c1ccc(CN2CCc3c(ncnc3N3C[C@@H]4CCC[C@]4(COc4ccccn4)C3)C2)cc1 ZINC001164795588 721505627 /nfs/dbraw/zinc/50/56/27/721505627.db2.gz LZRUYGLQMLPUAE-WXVAWEFUSA-N 0 0 441.579 4.115 20 0 IIADRN O=C1CCC2(CCN(C(F)(F)c3cc(Cl)cnc3Cl)CC2)N1Cc1ccncc1 ZINC001164895630 721506152 /nfs/dbraw/zinc/50/61/52/721506152.db2.gz DHRRATGQULHIKE-UHFFFAOYSA-N 0 0 441.309 4.490 20 0 IIADRN COC(=O)c1ccc(C(F)(F)N2C[C@H]3CCC[C@]3(COc3ccccn3)C2)c(Cl)n1 ZINC001164794931 721506144 /nfs/dbraw/zinc/50/61/44/721506144.db2.gz GHAHKLYRCZCQJS-JLTOFOAXSA-N 0 0 437.874 4.147 20 0 IIADRN COC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@]3(COc3ccccn3)C2)c(Cl)n1 ZINC001164794932 721506216 /nfs/dbraw/zinc/50/62/16/721506216.db2.gz GHAHKLYRCZCQJS-VBKZILBWSA-N 0 0 437.874 4.147 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc(Cl)cc32)[C@H]2CCCO[C@@H]12 ZINC001164795188 721526078 /nfs/dbraw/zinc/52/60/78/721526078.db2.gz LLNGMVULEQPCOW-XUVXKRRUSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164809013 721531829 /nfs/dbraw/zinc/53/18/29/721531829.db2.gz TZGYPJMUVHABKD-LMMKCTJWSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3cc(C(C)(C)C)sc32)[C@H]2CCCO[C@H]12 ZINC001164805324 721541160 /nfs/dbraw/zinc/54/11/60/721541160.db2.gz LRCDRANNAFEDFM-ZVDOUQERSA-N 0 0 437.613 4.252 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ncc2-c2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001164808033 721555632 /nfs/dbraw/zinc/55/56/32/721555632.db2.gz UMGSWTJZWNQKGT-VSKRKVRLSA-N 0 0 435.959 4.060 20 0 IIADRN CN(C)C(=O)[C@H]1CC12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164909160 721569867 /nfs/dbraw/zinc/56/98/67/721569867.db2.gz SGFKLPJAVVNYTO-CYBMUJFWSA-N 0 0 429.298 4.176 20 0 IIADRN CN(C)C(=O)[C@H]1CC12CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164903269 721570861 /nfs/dbraw/zinc/57/08/61/721570861.db2.gz PVCPBSYBKAIKTG-CYBMUJFWSA-N 0 0 426.920 4.098 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3[nH]c4ccc(Cl)cc4c32)[C@@H]2CCCO[C@H]12 ZINC001164806042 721573105 /nfs/dbraw/zinc/57/31/05/721573105.db2.gz PEXRAFRHOWRTOG-SJBKTWHCSA-N 0 0 448.958 4.028 20 0 IIADRN FC(F)(c1cccc2ccnc(Cl)c21)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001164902794 721580183 /nfs/dbraw/zinc/58/01/83/721580183.db2.gz HRCATEPAJKIZGW-OAQYLSRUSA-N 0 0 445.901 4.099 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)[C@@H]2CCCO[C@@H]12 ZINC001164805024 721590911 /nfs/dbraw/zinc/59/09/11/721590911.db2.gz JZRMVOSYMJYNAE-SFHLNBCPSA-N 0 0 448.945 4.118 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)[C@H]2CCCO[C@H]12 ZINC001164806198 721591455 /nfs/dbraw/zinc/59/14/55/721591455.db2.gz MGGOQULJVQIKQB-ZVDOUQERSA-N 0 0 448.945 4.118 20 0 IIADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@]4(CCCN4C(=O)C(C)C)C3)c2c1C ZINC001165009484 721726708 /nfs/dbraw/zinc/72/67/08/721726708.db2.gz XGKSUVMFSMAZMM-DEOSSOPVSA-N 0 0 441.645 4.131 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1CSC3)C2 ZINC001164907852 721751577 /nfs/dbraw/zinc/75/15/77/721751577.db2.gz BULTTYXSYVWRBJ-UHFFFAOYSA-N 0 0 427.961 4.060 20 0 IIADRN COC(=O)c1ccc2ccnc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)c2c1 ZINC001164907857 721752402 /nfs/dbraw/zinc/75/24/02/721752402.db2.gz BUVURUGAFDHWME-UHFFFAOYSA-N 0 0 442.519 4.204 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)[C@@H]2C1 ZINC001165019571 721769983 /nfs/dbraw/zinc/76/99/83/721769983.db2.gz WNYHWIWLJNCZHJ-CXAGYDPISA-N 0 0 432.858 4.162 20 0 IIADRN O=C1[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@H]2CN1c1cccnc1 ZINC001165024177 721790130 /nfs/dbraw/zinc/79/01/30/721790130.db2.gz QVSDZROMSZWXMF-PXNSSMCTSA-N 0 0 440.881 4.441 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC001164918352 721819298 /nfs/dbraw/zinc/81/92/98/721819298.db2.gz PFAWREVDJCYCOB-UHFFFAOYSA-N 0 0 430.581 4.304 20 0 IIADRN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1C[C@@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164921651 721841456 /nfs/dbraw/zinc/84/14/56/721841456.db2.gz OSQNDOADBOZEJH-DYESRHJHSA-N 0 0 435.902 4.222 20 0 IIADRN CCOC(=O)c1ccc(C(F)(F)N(Cc2cccnc2)Cc2ccccn2)c(Cl)n1 ZINC001165035611 721881583 /nfs/dbraw/zinc/88/15/83/721881583.db2.gz GENWVURNHGXJSP-UHFFFAOYSA-N 0 0 432.858 4.453 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)CC[C@@H]21)NC1CCC1 ZINC001164930546 721895887 /nfs/dbraw/zinc/89/58/87/721895887.db2.gz BZWGKJHFGXDZOP-BPAFIMBUSA-N 0 0 449.929 4.333 20 0 IIADRN Cc1cc(C(F)(F)N2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)c(Cl)nn1 ZINC001164930095 721899118 /nfs/dbraw/zinc/89/91/18/721899118.db2.gz ZRRIXKZKWVKRMP-NRFANRHFSA-N 0 0 443.885 4.119 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1ccc3cnc(Cl)nc3c1)C2 ZINC001164935662 721910753 /nfs/dbraw/zinc/91/07/53/721910753.db2.gz MQRGOGTXUSUNEY-ACJLOTCBSA-N 0 0 446.860 4.318 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001164936615 721910913 /nfs/dbraw/zinc/91/09/13/721910913.db2.gz YYVJQZMULGWORP-WBMJQRKESA-N 0 0 436.865 4.042 20 0 IIADRN Fc1cccc(-c2cc(C(F)(F)N3CCN(C[C@H]4CCCO4)CC3)cnc2Cl)c1 ZINC001165043591 721922158 /nfs/dbraw/zinc/92/21/58/721922158.db2.gz MQVHSRUFSBILQM-GOSISDBHSA-N 0 0 425.882 4.387 20 0 IIADRN Fc1ccc(-c2cc(C(F)(F)N3CCN(C[C@@H]4CCCO4)CC3)cnc2Cl)cc1 ZINC001165045044 721922395 /nfs/dbraw/zinc/92/23/95/721922395.db2.gz YKMSTMSFLAPYEB-SFHVURJKSA-N 0 0 425.882 4.387 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)C[C@H]21 ZINC001164941745 721951363 /nfs/dbraw/zinc/95/13/63/721951363.db2.gz BTKKYEJFGSRQOW-WOJBJXKFSA-N 0 0 448.901 4.128 20 0 IIADRN COC(=O)CCN(Cc1ccco1)c1nc(CN2CCCC2)nc2sc(C)c(C)c21 ZINC001165050750 721982671 /nfs/dbraw/zinc/98/26/71/721982671.db2.gz WOMZCGRFLGZUJX-UHFFFAOYSA-N 0 0 428.558 4.067 20 0 IIADRN CCN(CCC(N)=O)c1nc(CN2CCC(C)CC2)nc2scc(-c3cccs3)c21 ZINC001165047789 721984224 /nfs/dbraw/zinc/98/42/24/721984224.db2.gz PXYTUXKPAXPGJG-UHFFFAOYSA-N 0 0 443.642 4.353 20 0 IIADRN FC(F)(F)c1nnc(N2CCN(C(F)(F)c3cnc(Cl)cc3Cl)CC2)s1 ZINC001165051057 721999609 /nfs/dbraw/zinc/99/96/09/721999609.db2.gz CTLIKLMETJDQSM-UHFFFAOYSA-N 0 0 434.221 4.130 20 0 IIADRN COc1cc(C(F)(F)N2C[C@@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)cc(Cl)n1 ZINC001164953043 722003409 /nfs/dbraw/zinc/00/34/09/722003409.db2.gz ONURIVDLWXWFMC-HOCLYGCPSA-N 0 0 430.886 4.465 20 0 IIADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCN(CCc2ccccn2)CC1 ZINC001165054837 722018891 /nfs/dbraw/zinc/01/88/91/722018891.db2.gz FLJWHUZBEABICR-UHFFFAOYSA-N 0 0 429.902 4.102 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cnc(Cl)cc1Cl ZINC001164963427 722028156 /nfs/dbraw/zinc/02/81/56/722028156.db2.gz SYIACLNPWVIMJQ-LZWOXQAQSA-N 0 0 434.245 4.283 20 0 IIADRN O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)C2 ZINC001164961476 722034797 /nfs/dbraw/zinc/03/47/97/722034797.db2.gz VVHSHEHHLDCIIU-SIKLNZKXSA-N 0 0 442.897 4.361 20 0 IIADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C[C@H]3O2)n1 ZINC001164964922 722041646 /nfs/dbraw/zinc/04/16/46/722041646.db2.gz WEFQUDUCHLJZJU-VDDIYKPWSA-N 0 0 439.677 4.115 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C[C@@H]21 ZINC001164959216 722046880 /nfs/dbraw/zinc/04/68/80/722046880.db2.gz PYUQRCYDMZLHMN-YJBOKZPZSA-N 0 0 444.869 4.286 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C[C@@H]21 ZINC001164960866 722048691 /nfs/dbraw/zinc/04/86/91/722048691.db2.gz XZOMHXDXRNQFAM-QAPCUYQASA-N 0 0 444.869 4.286 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)Oc2ccc(Cl)nc2)[C@@H]3C)c1 ZINC001164965598 722062877 /nfs/dbraw/zinc/06/28/77/722062877.db2.gz KZEWNNXVEAWCQY-OAHLLOKOSA-N 0 0 449.889 4.358 20 0 IIADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164967699 722078091 /nfs/dbraw/zinc/07/80/91/722078091.db2.gz JOBZNDSJYQEOBB-UHFFFAOYSA-N 0 0 426.294 4.392 20 0 IIADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164968414 722082820 /nfs/dbraw/zinc/08/28/20/722082820.db2.gz CIWDMJNHPPTOKI-UHFFFAOYSA-N 0 0 427.238 4.458 20 0 IIADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C[C@H]2C1 ZINC001164970332 722085974 /nfs/dbraw/zinc/08/59/74/722085974.db2.gz DBGIQKRGVOQIQY-BJWYYQGGSA-N 0 0 446.929 4.473 20 0 IIADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001164972371 722091556 /nfs/dbraw/zinc/09/15/56/722091556.db2.gz GPBVLCILUFWUBR-IBGZPJMESA-N 0 0 431.024 4.244 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)C[C@@H]21 ZINC001164984729 722097498 /nfs/dbraw/zinc/09/74/98/722097498.db2.gz UFPARXFDTKHVHL-JKIFEVAISA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)C[C@@H]21 ZINC001164980714 722098519 /nfs/dbraw/zinc/09/85/19/722098519.db2.gz JYLNKEVJBOOOEQ-XGHQBKJUSA-N 0 0 446.929 4.315 20 0 IIADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C2)C1=O ZINC001164979470 722161919 /nfs/dbraw/zinc/16/19/19/722161919.db2.gz KTFKCKOUWZNIIK-HXUWFJFHSA-N 0 0 432.833 4.092 20 0 IIADRN COc1nc(Cl)ncc1C(F)(F)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164980225 722165363 /nfs/dbraw/zinc/16/53/63/722165363.db2.gz XHNUHCJXEOIUDE-HNAYVOBHSA-N 0 0 431.911 4.018 20 0 IIADRN COc1nnc(Cl)cc1C(F)(F)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164977000 722166174 /nfs/dbraw/zinc/16/61/74/722166174.db2.gz MGDAJMXGPLYNJE-BEFAXECRSA-N 0 0 431.911 4.018 20 0 IIADRN NC(=O)c1ccc(C(F)(F)N2C[C@@H]3[C@@H](OCC4CC4)c4ccccc4[C@H]3C2)nc1Cl ZINC001164975366 722170301 /nfs/dbraw/zinc/17/03/01/722170301.db2.gz HZTCJTSKOTWGDE-AOIWGVFYSA-N 0 0 433.886 4.080 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5sc(C(C)C)cc54)CC[C@H]32)cs1 ZINC001164987267 722174179 /nfs/dbraw/zinc/17/41/79/722174179.db2.gz NIHMZUOTFXHJGL-MOPGFXCFSA-N 0 0 443.642 4.449 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4ccc(F)c(Cl)n4)CC[C@H]32)cs1 ZINC001164985643 722176760 /nfs/dbraw/zinc/17/67/60/722176760.db2.gz IEGZXIMFASTKHG-HZPDHXFCSA-N 0 0 446.926 4.054 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4ccc(F)c(Cl)n4)CC[C@@H]32)cs1 ZINC001164985640 722176785 /nfs/dbraw/zinc/17/67/85/722176785.db2.gz IEGZXIMFASTKHG-HOTGVXAUSA-N 0 0 446.926 4.054 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4ccc(F)c(Cl)n4)CC[C@@H]32)cs1 ZINC001164985646 722176813 /nfs/dbraw/zinc/17/68/13/722176813.db2.gz IEGZXIMFASTKHG-JKSUJKDBSA-N 0 0 446.926 4.054 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5cccc(F)c54)CC[C@H]32)cs1 ZINC001164988426 722179574 /nfs/dbraw/zinc/17/95/74/722179574.db2.gz QYRDRFFGCHTHOA-MSOLQXFVSA-N 0 0 447.967 4.057 20 0 IIADRN COc1ccc2nc(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)cc(C)c2c1 ZINC001164994578 722181753 /nfs/dbraw/zinc/18/17/53/722181753.db2.gz ZJWNXAWLMNEYPE-PKTZIBPZSA-N 0 0 438.597 4.187 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C(F)F)nc5ccccc54)CC[C@H]32)cs1 ZINC001164986433 722185593 /nfs/dbraw/zinc/18/55/93/722185593.db2.gz FLTROTFYYVCKGS-MOPGFXCFSA-N 0 0 445.539 4.202 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nnc(Cl)c5ccc(F)cc54)CC[C@H]32)cs1 ZINC001164991385 722185950 /nfs/dbraw/zinc/18/59/50/722185950.db2.gz UCOAGIDDWLWREU-RTBURBONSA-N 0 0 447.967 4.057 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C(C)C)nc(Cl)c4C)CC[C@H]32)cs1 ZINC001164992552 722186319 /nfs/dbraw/zinc/18/63/19/722186319.db2.gz XFCPHWRFQFXFLQ-QZTJIDSGSA-N 0 0 436.025 4.197 20 0 IIADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164988335 722187401 /nfs/dbraw/zinc/18/74/01/722187401.db2.gz DSAMQIXMYGJYES-AWEZNQCLSA-N 0 0 436.330 4.035 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cc(Cl)nc(Cl)c2)n1 ZINC001164998967 722226173 /nfs/dbraw/zinc/22/61/73/722226173.db2.gz GLBVWLGBKMIZDF-ZDUSSCGKSA-N 0 0 432.302 4.147 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cc(SC)cnc2Cl)n1 ZINC001165001285 722227187 /nfs/dbraw/zinc/22/71/87/722227187.db2.gz YFEQXYQONQWOIF-HNNXBMFYSA-N 0 0 443.951 4.216 20 0 IIADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)Sc2ccc(Cl)nc2)n1 ZINC001164999639 722227616 /nfs/dbraw/zinc/22/76/16/722227616.db2.gz NQDDFNWIWNOFOR-CQSZACIVSA-N 0 0 429.924 4.087 20 0 IIADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)c2nc(C)cc(Cl)n2)CC3)cs1 ZINC001165005251 722272274 /nfs/dbraw/zinc/27/22/74/722272274.db2.gz GZKZOYOSBOLFPD-HNNXBMFYSA-N 0 0 444.935 4.093 20 0 IIADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)Oc2cccnc2Cl)CC3)cs1 ZINC001165004323 722272416 /nfs/dbraw/zinc/27/24/16/722272416.db2.gz AJVVCJRYPLMFPX-HNNXBMFYSA-N 0 0 445.919 4.269 20 0 IIADRN C[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009318 722273334 /nfs/dbraw/zinc/27/33/34/722273334.db2.gz ORVGZABWBSOCKN-ZTQAJYAQSA-N 0 0 436.890 4.078 20 0 IIADRN C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C(=O)[O-])c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576634 939136906 /nfs/dbraw/zinc/13/69/06/939136906.db2.gz BTKJTQWZKAXGTR-HOJAQTOUSA-N 0 0 449.473 4.213 20 0 IIADRN C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576643 939137107 /nfs/dbraw/zinc/13/71/07/939137107.db2.gz BTKJTQWZKAXGTR-SXLOBPIMSA-N 0 0 449.473 4.213 20 0 IIADRN C[N@@H+]1CCC[C@H](CNC(=O)NC2(C(=O)[O-])CCCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576947 939137166 /nfs/dbraw/zinc/13/71/66/939137166.db2.gz CLGDVQMZGDQPDE-AEFFLSMTSA-N 0 0 441.494 4.175 20 0 IIADRN C[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC001123268544 939817889 /nfs/dbraw/zinc/81/78/89/939817889.db2.gz SJAZQDPLGCANLM-GAJHUEQPSA-N 0 0 448.485 4.435 20 0 IIADRN C[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC001123268183 939817965 /nfs/dbraw/zinc/81/79/65/939817965.db2.gz PVOBXBSPRVEXRN-HXOBKFHXSA-N 0 0 448.485 4.435 20 0 IIADRN COc1ccc2sc(C(=O)N[C@]3(C(=O)[O-])CCC[N@H+](Cc4ccccc4)C3)c(C)c2c1 ZINC001123372358 939822364 /nfs/dbraw/zinc/82/23/64/939822364.db2.gz MIBHOGSQDFLAIV-XMMPIXPASA-N 0 0 438.549 4.068 20 0 IIADRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000426718842 1126081752 /nfs/dbraw/zinc/08/17/52/1126081752.db2.gz CEMZARRQPYDJKH-ZDUSSCGKSA-N 0 0 436.415 4.015 20 0 IIADRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000426718841 1126081795 /nfs/dbraw/zinc/08/17/95/1126081795.db2.gz CEMZARRQPYDJKH-CYBMUJFWSA-N 0 0 436.415 4.015 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000426729289 1126083828 /nfs/dbraw/zinc/08/38/28/1126083828.db2.gz BMIVGTQXGZUIET-INIZCTEOSA-N 0 0 429.822 4.306 20 0 IIADRN O=C([O-])[C@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000426736331 1126084957 /nfs/dbraw/zinc/08/49/57/1126084957.db2.gz XGKLZFGHBPARTG-SFHVURJKSA-N 0 0 444.940 4.410 20 0 IIADRN CCOc1c(Br)cc(C[NH2+][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1OC ZINC000426738184 1126085145 /nfs/dbraw/zinc/08/51/45/1126085145.db2.gz UCMUGSGAJKTIBP-INIZCTEOSA-N 0 0 442.737 4.295 20 0 IIADRN CCOc1cc(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])ccc1OC ZINC000426759877 1126088551 /nfs/dbraw/zinc/08/85/51/1126088551.db2.gz YEIBXWMEHRDNEA-QGZVFWFLSA-N 0 0 447.329 4.123 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000426759536 1126088565 /nfs/dbraw/zinc/08/85/65/1126088565.db2.gz NGXKLTJFSBLLAR-GOSISDBHSA-N 0 0 439.313 4.106 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000426765053 1126089210 /nfs/dbraw/zinc/08/92/10/1126089210.db2.gz BOKANAITGIFKLY-QGZVFWFLSA-N 0 0 428.357 4.173 20 0 IIADRN COc1ccc2oc(C[NH2+][C@@H](Cc3c[nH]c4cccc(Br)c34)C(=O)[O-])cc2c1 ZINC000426764828 1126089260 /nfs/dbraw/zinc/08/92/60/1126089260.db2.gz YLLHHMRPEUFRMS-SFHVURJKSA-N 0 0 443.297 4.471 20 0 IIADRN Cc1cc(C)cc(C[C@@H]([NH2+]Cc2ncc(Br)cc2Br)C(=O)[O-])c1 ZINC000426812872 1126092189 /nfs/dbraw/zinc/09/21/89/1126092189.db2.gz SOKOGNLBNLVGSP-OAHLLOKOSA-N 0 0 442.151 4.009 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000671162108 1126104891 /nfs/dbraw/zinc/10/48/91/1126104891.db2.gz IIUJPVYNPGRYOA-LJQANCHMSA-N 0 0 448.748 4.133 20 0 IIADRN C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(Br)c([O-])c(Br)c1 ZINC001183145396 1126153105 /nfs/dbraw/zinc/15/31/05/1126153105.db2.gz IGJLUCNHRKPJII-QGZVFWFLSA-N 0 0 447.142 4.140 20 0 IIADRN Cc1cc(-c2noc(CN[C@@](C)(CO)Cc3ccc(Br)cc3)n2)ccc1F ZINC001308118941 1126164057 /nfs/dbraw/zinc/16/40/57/1126164057.db2.gz WQZAPMDHYXZENY-HXUWFJFHSA-N 0 0 434.309 4.030 20 0 IIADRN CC(=O)N(c1nc(CN[C@](C)(CO)Cc2ccc(F)cc2)cs1)c1ccc(F)cc1 ZINC001620625282 1126242278 /nfs/dbraw/zinc/24/22/78/1126242278.db2.gz PWEOPENVTJKDMR-QFIPXVFZSA-N 0 0 431.508 4.189 20 0 IIADRN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000011211328 562978800 /nfs/dbraw/zinc/97/88/00/562978800.db2.gz LMBZWFHFLSOXMY-OAQYLSRUSA-N 0 0 436.512 4.034 20 0 IIADRN NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@H]2c2c[nH]c3c2cccc3Cl)cc1 ZINC000029059569 563073704 /nfs/dbraw/zinc/07/37/04/563073704.db2.gz NDGPUMDPTVGJCG-HNNXBMFYSA-N 0 0 442.850 4.338 20 0 IIADRN FC1(F)C[C@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164409553 718870364 /nfs/dbraw/zinc/87/03/64/718870364.db2.gz RFCWXAPXTYDMCD-FUHWJXTLSA-N 0 0 442.535 4.282 20 0 IIADRN FC1CC2(C1)CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164414902 718884080 /nfs/dbraw/zinc/88/40/80/718884080.db2.gz AIHNICLAJYUOJS-UHFFFAOYSA-N 0 0 430.593 4.121 20 0 IIADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164432087 718976065 /nfs/dbraw/zinc/97/60/65/718976065.db2.gz FPQXNTGRTQFJBJ-FZKQIMNGSA-N 0 0 446.281 4.030 20 0 IIADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164648682 719293618 /nfs/dbraw/zinc/29/36/18/719293618.db2.gz WCRWLZNZGMXAKL-AQNXPRMDSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164647236 719294966 /nfs/dbraw/zinc/29/49/66/719294966.db2.gz DBJPDWQQQKSOCM-GGPKGHCWSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21)C1(c2ccnc(Cl)c2)CC1 ZINC001164656728 719295706 /nfs/dbraw/zinc/29/57/06/719295706.db2.gz YKRJHALLNIXUFL-NSHGMRRFSA-N 0 0 435.902 4.203 20 0 IIADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc(-c5ccc(Cl)nn5)cc4)C[C@H]3O2)n1 ZINC001164656074 719300795 /nfs/dbraw/zinc/30/07/95/719300795.db2.gz VULBYVZYGROYPN-JCGIZDLHSA-N 0 0 447.873 4.390 20 0 IIADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C[C@@H]3O2)n1 ZINC001164655366 719301082 /nfs/dbraw/zinc/30/10/82/719301082.db2.gz SYTKLIFJDQBKET-BVGQSLNGSA-N 0 0 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721998287 /nfs/dbraw/zinc/99/82/87/721998287.db2.gz KTYCRFMXZHDYFZ-UHFFFAOYSA-N 0 0 444.873 4.342 20 0 IIADRN FC(F)(F)c1nnc(N2CCN(C(F)(F)c3cc(Cl)nc(Cl)c3)CC2)s1 ZINC001165051013 721999462 /nfs/dbraw/zinc/99/94/62/721999462.db2.gz CAFCTQPUKVCQND-UHFFFAOYSA-N 0 0 434.221 4.130 20 0 IIADRN COc1cc(C(F)(F)N2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)cc(Cl)n1 ZINC001164953046 722003766 /nfs/dbraw/zinc/00/37/66/722003766.db2.gz ONURIVDLWXWFMC-ZBFHGGJFSA-N 0 0 430.886 4.465 20 0 IIADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)COc3ccnc(Cl)c3)C[C@H]21 ZINC001164954040 722004005 /nfs/dbraw/zinc/00/40/05/722004005.db2.gz VDLYTVACHJYEOD-WBVHZDCISA-N 0 0 430.886 4.379 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cc(Cl)nc(Cl)c1 ZINC001164959936 722027841 /nfs/dbraw/zinc/02/78/41/722027841.db2.gz JQWNYKDDTMNVCC-IOASZLSFSA-N 0 0 434.245 4.283 20 0 IIADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@@H]3O2)n1 ZINC001164959667 722043265 /nfs/dbraw/zinc/04/32/65/722043265.db2.gz IZIBKWQJCCQHHD-JDFRZJQESA-N 0 0 436.846 4.068 20 0 IIADRN F[C@H](Oc1ccnc(Cl)c1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164958551 722049591 /nfs/dbraw/zinc/04/95/91/722049591.db2.gz NDFYNKXTNYHAPI-QFIPXVFZSA-N 0 0 438.894 4.351 20 0 IIADRN F[C@@H](Oc1cccc(Cl)n1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164960389 722049756 /nfs/dbraw/zinc/04/97/56/722049756.db2.gz VRUXCAWJRLHMBQ-JOCHJYFZSA-N 0 0 438.894 4.351 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc(C)nc(Cl)n2)[C@@H]3C)c1 ZINC001164966289 722062935 /nfs/dbraw/zinc/06/29/35/722062935.db2.gz PYIGHWYNIKCEJY-OAHLLOKOSA-N 0 0 448.905 4.181 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN([C@@H](F)Oc2ccc(Cl)nc2)[C@@H]3C)c1 ZINC001164965662 722062945 /nfs/dbraw/zinc/06/29/45/722062945.db2.gz LKMVZJJWYAFOKT-QVKFZJNVSA-N 0 0 431.899 4.060 20 0 IIADRN O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccc2ccnc(Cl)c2c1 ZINC001164966648 722064339 /nfs/dbraw/zinc/06/43/39/722064339.db2.gz WKTWEJMVJGXSIU-IRXDYDNUSA-N 0 0 434.899 4.383 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CCc3nc(C(=O)NCC(C)C)sc3CC2)c1 ZINC001164966183 722066529 /nfs/dbraw/zinc/06/65/29/722066529.db2.gz XFBZATPIQMFQIH-UHFFFAOYSA-N 0 0 428.936 4.036 20 0 IIADRN Cc1ccc(C(F)(F)N2CCc3nc(C(=O)NCC(C)C)sc3CC2)nc1Cl ZINC001164965348 722066531 /nfs/dbraw/zinc/06/65/31/722066531.db2.gz JMLAYTWINHUHSA-UHFFFAOYSA-N 0 0 428.936 4.036 20 0 IIADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CC2 ZINC001164968211 722078476 /nfs/dbraw/zinc/07/84/76/722078476.db2.gz WEKJVTLMWYLDHL-UHFFFAOYSA-N 0 0 442.897 4.287 20 0 IIADRN CC(=O)N1CCC[C@]2(C1)CN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)CCO2 ZINC001164969188 722083441 /nfs/dbraw/zinc/08/34/41/722083441.db2.gz LCKXIRKZZNEZKA-NRFANRHFSA-N 0 0 435.902 4.165 20 0 IIADRN COc1ccc(C(F)(F)N2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)nc1Cl ZINC001164972721 722091475 /nfs/dbraw/zinc/09/14/75/722091475.db2.gz HNHLHFRLMBLUPS-OAHLLOKOSA-N 0 0 427.923 4.201 20 0 IIADRN O=C1CC2(CCN(C(F)(F)c3ccc(Cl)nn3)CC2)c2ccccc2N1CC1CC1 ZINC001164976220 722160606 /nfs/dbraw/zinc/16/06/06/722160606.db2.gz UZWHZTQEWKKGIV-UHFFFAOYSA-N 0 0 432.902 4.360 20 0 IIADRN COc1cc(C(F)(F)N2CCC[C@@]3(C[C@@H](OCC4CCCC4)CO3)C2)nc(Cl)n1 ZINC001164977416 722166258 /nfs/dbraw/zinc/16/62/58/722166258.db2.gz NLMGVFHSHUZODC-DNVCBOLYSA-N 0 0 431.911 4.018 20 0 IIADRN COc1nnc(Cl)cc1C(F)(F)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164977002 722166274 /nfs/dbraw/zinc/16/62/74/722166274.db2.gz MGDAJMXGPLYNJE-DNVCBOLYSA-N 0 0 431.911 4.018 20 0 IIADRN FC(F)(c1nc(Cl)nc2[nH]cnc21)N1C[C@H]2[C@H](C1)c1ccccc1[C@H]2OCC1CC1 ZINC001164978735 722171311 /nfs/dbraw/zinc/17/13/11/722171311.db2.gz SBMUWSDIKNLSHA-HLLBOEOZSA-N 0 0 431.874 4.204 20 0 IIADRN CN(C)c1cc(C(F)(F)N2C[C@@H]3c4ccccc4[C@H](OCC4CC4)[C@@H]3C2)nc(Cl)n1 ZINC001164978670 722171751 /nfs/dbraw/zinc/17/17/51/722171751.db2.gz ROUCUYFLBILOND-HLIPFELVSA-N 0 0 434.918 4.442 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5cc(C)ccc54)CC[C@H]32)cs1 ZINC001164988630 722181918 /nfs/dbraw/zinc/18/19/18/722181918.db2.gz LALWHDVAWWBQHJ-UXHICEINSA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cc(C)cc(Cl)n4)CC[C@H]32)cs1 ZINC001164985956 722183712 /nfs/dbraw/zinc/18/37/12/722183712.db2.gz CQLSMRDVZFVHCA-SJORKVTESA-N 0 0 442.963 4.223 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)cc(C(C)(C)C)n4)CC[C@@H]32)cs1 ZINC001164992363 722184610 /nfs/dbraw/zinc/18/46/10/722184610.db2.gz VZUDCCGAGNGXFI-DLBZAZTESA-N 0 0 436.025 4.062 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(F)cc5ncnc(Cl)c54)CC[C@H]32)cs1 ZINC001164987041 722184623 /nfs/dbraw/zinc/18/46/23/722184623.db2.gz ISLMZFBZCQQTQN-IEBWSBKVSA-N 0 0 447.967 4.057 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)c(Cl)cc4Cl)CC[C@@H]32)cs1 ZINC001164990135 722184638 /nfs/dbraw/zinc/18/46/38/722184638.db2.gz QPAZSZQBNFDOHN-ZWKOTPCHSA-N 0 0 427.401 4.332 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C(F)F)nc5ccccc54)CC[C@@H]32)cs1 ZINC001164986436 722185529 /nfs/dbraw/zinc/18/55/29/722185529.db2.gz FLTROTFYYVCKGS-OALUTQOASA-N 0 0 445.539 4.202 20 0 IIADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001164992487 722187414 /nfs/dbraw/zinc/18/74/14/722187414.db2.gz UJJQBVDGXOCIST-AWEZNQCLSA-N 0 0 436.330 4.035 20 0 IIADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)[C@H]2C1 ZINC001164994669 722214391 /nfs/dbraw/zinc/21/43/91/722214391.db2.gz CGFFMPFVTMKPSF-YSIASYRMSA-N 0 0 449.929 4.455 20 0 IIADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1ccnc(Cl)n1)CC2 ZINC001164998554 722220771 /nfs/dbraw/zinc/22/07/71/722220771.db2.gz JDQJZCPHUWBMHG-SFHVURJKSA-N 0 0 432.902 4.255 20 0 IIADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)c1cc(Cl)ncn1)CC2 ZINC001165000405 722220838 /nfs/dbraw/zinc/22/08/38/722220838.db2.gz XHQFFCPZKVYNMY-LJQANCHMSA-N 0 0 432.902 4.255 20 0 IIADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)cn1)CC2 ZINC001165000417 722221158 /nfs/dbraw/zinc/22/11/58/722221158.db2.gz XOTACOAXTNFTQP-IBGZPJMESA-N 0 0 432.902 4.255 20 0 IIADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1ccc(Cl)c(Cl)n1)CCO2 ZINC001165002094 722249238 /nfs/dbraw/zinc/24/92/38/722249238.db2.gz WBHAQRVYALZBKU-GOSISDBHSA-N 0 0 446.281 4.038 20 0 IIADRN C[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009314 722273208 /nfs/dbraw/zinc/27/32/08/722273208.db2.gz ORVGZABWBSOCKN-WIBUTAKZSA-N 0 0 436.890 4.078 20 0 IIADRN C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C(=O)[O-])c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576645 939137133 /nfs/dbraw/zinc/13/71/33/939137133.db2.gz BTKJTQWZKAXGTR-YSIASYRMSA-N 0 0 449.473 4.213 20 0 IIADRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123268812 939817471 /nfs/dbraw/zinc/81/74/71/939817471.db2.gz UFMSBENQDTWNLO-OPAMFIHVSA-N 0 0 432.973 4.056 20 0 IIADRN C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123268811 939817528 /nfs/dbraw/zinc/81/75/28/939817528.db2.gz UFMSBENQDTWNLO-KSFYIVLOSA-N 0 0 432.973 4.056 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000426660468 1126081365 /nfs/dbraw/zinc/08/13/65/1126081365.db2.gz OUQPXULTPIZURJ-OAQYLSRUSA-N 0 0 442.441 4.217 20 0 IIADRN COc1cc(C[NH2+][C@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000426663201 1126081385 /nfs/dbraw/zinc/08/13/85/1126081385.db2.gz JIIINFPUURNAKE-OAQYLSRUSA-N 0 0 441.911 4.419 20 0 IIADRN COc1ccc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])cc1OCC(C)C ZINC000426716137 1126081818 /nfs/dbraw/zinc/08/18/18/1126081818.db2.gz KTBJTBQEFFMPPR-SFHVURJKSA-N 0 0 436.346 4.278 20 0 IIADRN Cc1cnn(C[C@@H]([NH2+]Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)[O-])c1 ZINC000426727675 1126083540 /nfs/dbraw/zinc/08/35/40/1126083540.db2.gz PMOKUTUAUMLTKS-HXUWFJFHSA-N 0 0 434.323 4.320 20 0 IIADRN Cn1cnc2cc(C[NH2+][C@H](Cc3csc(-c4ccccc4Cl)n3)C(=O)[O-])ccc21 ZINC000426732467 1126084219 /nfs/dbraw/zinc/08/42/19/1126084219.db2.gz IPAHEPSOZIQDFS-GOSISDBHSA-N 0 0 426.929 4.136 20 0 IIADRN COc1ccc(OC)c(C[NH2+][C@@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])c1 ZINC000426735817 1126084907 /nfs/dbraw/zinc/08/49/07/1126084907.db2.gz GUXXRLNTEBSBGY-SFHVURJKSA-N 0 0 432.929 4.266 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000426770630 1126089423 /nfs/dbraw/zinc/08/94/23/1126089423.db2.gz ULGVHFUDLKYPNG-KRWDZBQOSA-N 0 0 433.382 4.480 20 0 IIADRN COc1cc(C[NH2+][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])ccc1OCc1c(C)noc1C ZINC000426744121 1126086144 /nfs/dbraw/zinc/08/61/44/1126086144.db2.gz PYBOXZMGFQVWHO-FQEVSTJZSA-N 0 0 444.915 4.318 20 0 IIADRN Cc1cc(Br)ccc1C[NH2+][C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000426748989 1126086714 /nfs/dbraw/zinc/08/67/14/1126086714.db2.gz BSXAXBOXFNXUBI-MRXNPFEDSA-N 0 0 427.136 4.306 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000426751050 1126087183 /nfs/dbraw/zinc/08/71/83/1126087183.db2.gz SFLXUPLOTAFTIJ-MRXNPFEDSA-N 0 0 425.703 4.013 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000426754505 1126087697 /nfs/dbraw/zinc/08/76/97/1126087697.db2.gz QUJPPMRJXPOUTD-KRWDZBQOSA-N 0 0 449.732 4.304 20 0 IIADRN C[C@@H]1CCc2nc(C[NH2+][C@@H](Cc3c[nH]c4ccc(Br)cc34)C(=O)[O-])sc2C1 ZINC000426800824 1126091241 /nfs/dbraw/zinc/09/12/41/1126091241.db2.gz PFABUOBUAOVPOY-DIFFPNOSSA-N 0 0 448.386 4.297 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000426805014 1126091510 /nfs/dbraw/zinc/09/15/10/1126091510.db2.gz XZRCDDIQFYENIW-IBGZPJMESA-N 0 0 439.313 4.106 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(Br)cc1Cl ZINC000426818286 1126092607 /nfs/dbraw/zinc/09/26/07/1126092607.db2.gz VBKNHEYALKBYBO-OAHLLOKOSA-N 0 0 434.664 4.489 20 0 IIADRN CCOc1c(Br)cc(C[NH2+][C@@H](Cc2cc(C)cc(C)c2)C(=O)[O-])cc1OC ZINC000426824243 1126092868 /nfs/dbraw/zinc/09/28/68/1126092868.db2.gz GZXKAHBCAYGSOZ-SFHVURJKSA-N 0 0 436.346 4.259 20 0 IIADRN COc1ccccc1C[C@](C)(CO)NCc1ncc(-c2cccc(Br)c2)o1 ZINC001197305462 1126154599 /nfs/dbraw/zinc/15/45/99/1126154599.db2.gz ZQSLGZLZJWHTML-OAQYLSRUSA-N 0 0 431.330 4.196 20 0 IIADRN Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020181891 563023962 /nfs/dbraw/zinc/02/39/62/563023962.db2.gz HZUDDTCXAGPNJY-OAQYLSRUSA-N 0 0 445.972 4.041 20 0 aggregator IIADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3c4ccccc4NC(=O)[C@@H]3C2)n1 ZINC001164402692 718858425 /nfs/dbraw/zinc/85/84/25/718858425.db2.gz LHRQFWGEKMZZMR-QZTJIDSGSA-N 0 0 435.597 4.322 20 0 IIADRN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(F)(F)c1cccnc1Cl)CC2 ZINC001164430776 718951733 /nfs/dbraw/zinc/95/17/33/718951733.db2.gz YEQDKCKCZWAYGT-GOSISDBHSA-N 0 0 449.929 4.281 20 0 IIADRN O=S1(=O)CCN(C(F)(F)c2cnc(Cl)c(-c3ccccc3C(F)(F)F)c2)CC1 ZINC001164431418 718959384 /nfs/dbraw/zinc/95/93/84/718959384.db2.gz OPKPKKKROSBCOD-UHFFFAOYSA-N 0 0 440.821 4.201 20 0 IIADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164433487 718973838 /nfs/dbraw/zinc/97/38/38/718973838.db2.gz LSFFHOOAIWSUHU-RDTXWAMCSA-N 0 0 446.281 4.030 20 0 IIADRN CCOC(=O)[C@]12CCO[C@H]1CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 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FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164872840 721245502 /nfs/dbraw/zinc/24/55/02/721245502.db2.gz GGSJFXMEFJSPHM-SNRMKQJTSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21)C1(c2ccc(Cl)nc2)CC1 ZINC001164873334 721252911 /nfs/dbraw/zinc/25/29/11/721252911.db2.gz HQCVLKKLRKIUHM-OTWHNJEPSA-N 0 0 435.902 4.455 20 0 IIADRN O=C(NC[C@@H]1CCC[C@]2(CCN(C(F)(F)c3cccc(Cl)n3)C2)O1)c1ccccc1 ZINC001164871879 721253308 /nfs/dbraw/zinc/25/33/08/721253308.db2.gz BCOLAPSSSKBEJF-LAUBAEHRSA-N 0 0 435.902 4.228 20 0 IIADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164873417 721253513 /nfs/dbraw/zinc/25/35/13/721253513.db2.gz IJPOHTWSLWBRBP-BEVDRBHNSA-N 0 0 435.902 4.369 20 0 IIADRN Cc1cc(C(F)(F)N2CC[C@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)cc(Cl)n1 ZINC001164879158 721294547 /nfs/dbraw/zinc/29/45/47/721294547.db2.gz VTZOQKMYNSXLAF-WMLDXEAASA-N 0 0 441.931 4.017 20 0 IIADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21 ZINC001164874104 721310957 /nfs/dbraw/zinc/31/09/57/721310957.db2.gz BFZVKGHADMCTDO-UHOFOFEASA-N 0 0 430.282 4.391 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164879456 721311217 /nfs/dbraw/zinc/31/12/17/721311217.db2.gz MVLGWMSIPWGOPI-GDIGMMSISA-N 0 0 446.885 4.286 20 0 IIADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164880252 721313815 /nfs/dbraw/zinc/31/38/15/721313815.db2.gz QCCHOXCJQBLHOW-CWRNSKLLSA-N 0 0 434.874 4.219 20 0 IIADRN FC(F)(N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21)C1(c2ccnc(Cl)c2)CC1 ZINC001164878474 721315276 /nfs/dbraw/zinc/31/52/76/721315276.db2.gz OQIWGYLZFHEMEK-KBAYOESNSA-N 0 0 435.902 4.313 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164879949 721316739 /nfs/dbraw/zinc/31/67/39/721316739.db2.gz UPOIHYQTFYIHMG-AWEZNQCLSA-N 0 0 426.294 4.434 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001164880202 721317039 /nfs/dbraw/zinc/31/70/39/721317039.db2.gz WIGOQXGBMDLPQW-MRXNPFEDSA-N 0 0 430.886 4.261 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164876490 721319274 /nfs/dbraw/zinc/31/92/74/721319274.db2.gz IGMZAPBYQJABLX-GOSISDBHSA-N 0 0 431.914 4.355 20 0 IIADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164778963 721325032 /nfs/dbraw/zinc/32/50/32/721325032.db2.gz SCFKBZQUWKVRNP-LLVKDONJSA-N 0 0 449.260 4.069 20 0 IIADRN Fc1cccnc1O[C@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)CC2 ZINC001164779206 721325291 /nfs/dbraw/zinc/32/52/91/721325291.db2.gz VYQSBJBBKPRAND-LLVKDONJSA-N 0 0 449.260 4.069 20 0 IIADRN COc1ccc(C(F)(F)N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)c(Cl)n1 ZINC001164776959 721325809 /nfs/dbraw/zinc/32/58/09/721325809.db2.gz HMQJIRRHSIVPNK-CYBMUJFWSA-N 0 0 443.853 4.030 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncc(Cl)cc3Cl)C2)C1 ZINC001164777338 721333650 /nfs/dbraw/zinc/33/36/50/721333650.db2.gz MAYWAEOFKGLPIL-HXUWFJFHSA-N 0 0 425.360 4.112 20 0 IIADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)N1c1ccsc1 ZINC001164882586 721357665 /nfs/dbraw/zinc/35/76/65/721357665.db2.gz JYZNTRKNVKYELC-HUUCEWRRSA-N 0 0 447.898 4.183 20 0 IIADRN O=C1CO[C@@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@@H]2N1c1cccc(F)c1 ZINC001164882443 721365167 /nfs/dbraw/zinc/36/51/67/721365167.db2.gz JIYFDWGQIZMRKT-ZWKOTPCHSA-N 0 0 447.844 4.193 20 0 IIADRN O=C1CO[C@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C[C@@H]2N1c1cccc(F)c1 ZINC001164881271 721367072 /nfs/dbraw/zinc/36/70/72/721367072.db2.gz ATPALDJAGVZNAV-OALUTQOASA-N 0 0 447.844 4.193 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3c(C)nc(C4CC4)nc3Cl)C2)C1 ZINC001164787586 721368301 /nfs/dbraw/zinc/36/83/01/721368301.db2.gz ZJCWODITMOXPLD-HSZRJFAPSA-N 0 0 445.995 4.040 20 0 IIADRN COCCN1CCN(C(F)(F)c2cc(-c3ccccc3)nnc2Cl)Cc2cccnc21 ZINC001164884088 721369576 /nfs/dbraw/zinc/36/95/76/721369576.db2.gz BTCVPYMNBHNMBU-UHFFFAOYSA-N 0 0 445.901 4.210 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164779628 721382878 /nfs/dbraw/zinc/38/28/78/721382878.db2.gz BKMUFLGIJUCMJS-OXJNMPFZSA-N 0 0 441.881 4.406 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164782993 721384325 /nfs/dbraw/zinc/38/43/25/721384325.db2.gz MTOWTSKFSPNJKF-OXJNMPFZSA-N 0 0 441.881 4.406 20 0 IIADRN Fc1ccc(Cl)nc1C(F)(F)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164782991 721384484 /nfs/dbraw/zinc/38/44/84/721384484.db2.gz MTOWTSKFSPNJKF-JXFKEZNVSA-N 0 0 441.881 4.406 20 0 IIADRN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164789195 721401664 /nfs/dbraw/zinc/40/16/64/721401664.db2.gz UCHOHGSEBMNCNY-IYBDPMFKSA-N 0 0 447.942 4.367 20 0 IIADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164781194 721416947 /nfs/dbraw/zinc/41/69/47/721416947.db2.gz CQBINDCDRJZXFS-IYBDPMFKSA-N 0 0 447.942 4.367 20 0 IIADRN Fc1ccc(Oc2ccc(Cl)nn2)c(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c1 ZINC001164788914 721426076 /nfs/dbraw/zinc/42/60/76/721426076.db2.gz UEZIJRBNPAJGMG-ZIAGYGMSSA-N 0 0 431.924 4.086 20 0 IIADRN Cc1nc(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164787478 721434846 /nfs/dbraw/zinc/43/48/46/721434846.db2.gz RNQWLGPGGIDMII-OALUTQOASA-N 0 0 440.016 4.362 20 0 IIADRN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001164902006 721490015 /nfs/dbraw/zinc/49/00/15/721490015.db2.gz XYLFFFXGYACNMQ-HNNXBMFYSA-N 0 0 449.929 4.477 20 0 IIADRN CNC(=O)N[C@@H]1CC2(CCN([C@@H](F)Oc3ccnc(Cl)c3)CC2)c2ccc(C)cc21 ZINC001164900395 721492073 /nfs/dbraw/zinc/49/20/73/721492073.db2.gz OWIVQGPRKJNXER-UYAOXDASSA-N 0 0 432.927 4.083 20 0 IIADRN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1C[C@@H]2CCC[C@@H](OCC3CC3)[C@H]2C1 ZINC001164899120 721500463 /nfs/dbraw/zinc/50/04/63/721500463.db2.gz WVOZNSJXERVBMR-MELADBBJSA-N 0 0 428.936 4.402 20 0 IIADRN CSc1ccc(C(F)(F)N2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)nc1Cl ZINC001164898490 721504241 /nfs/dbraw/zinc/50/42/41/721504241.db2.gz SLCYJWHLNHPUQL-CQSZACIVSA-N 0 0 438.931 4.040 20 0 IIADRN O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1cccc3ccnc(Cl)c31)CC2 ZINC001164895260 721504279 /nfs/dbraw/zinc/50/42/79/721504279.db2.gz BJEHHCMJZBBDOT-QGZVFWFLSA-N 0 0 442.897 4.471 20 0 IIADRN COC(=O)c1ccc(C(F)(F)N2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)nc1Cl ZINC001164795604 721505579 /nfs/dbraw/zinc/50/55/79/721505579.db2.gz MNMHBHVGUINJLW-VLIAUNLRSA-N 0 0 437.874 4.147 20 0 IIADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164795547 721505690 /nfs/dbraw/zinc/50/56/90/721505690.db2.gz LBEOMTUQDWFGFY-KKSFZXQISA-N 0 0 449.933 4.356 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3c(Cl)ccnc32)[C@H]2CCCO[C@H]12 ZINC001164805059 721551880 /nfs/dbraw/zinc/55/18/80/721551880.db2.gz KQAYNAPWHKAVJV-UEXGIBASSA-N 0 0 444.366 4.200 20 0 IIADRN C[C@@H]1CCc2c(sc3ncnc(N4C[C@H](N(C)Cc5cccnc5)[C@H]5OCCC[C@H]54)c32)C1 ZINC001164807213 721552615 /nfs/dbraw/zinc/55/26/15/721552615.db2.gz QNRCZNKHTTXRJA-DCSJCSGWSA-N 0 0 449.624 4.079 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ncc2-c2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164808030 721555834 /nfs/dbraw/zinc/55/58/34/721555834.db2.gz UMGSWTJZWNQKGT-BHDDXSALSA-N 0 0 435.959 4.060 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2c(Cl)ncc(Cl)c2Cl)[C@H]2CCCO[C@@H]12 ZINC001164805426 721557465 /nfs/dbraw/zinc/55/74/65/721557465.db2.gz NUSCRHWFIQIOBG-HDMKZQKVSA-N 0 0 427.763 4.305 20 0 IIADRN Cc1cc2nc(Cl)c(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)nc2cc1C ZINC001164804659 721565503 /nfs/dbraw/zinc/56/55/03/721565503.db2.gz LHVPAGSBVZLPFK-FSSWDIPSSA-N 0 0 437.975 4.163 20 0 IIADRN Cc1ccc(C)c(-c2ccc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)nn2)c1 ZINC001164807658 721581710 /nfs/dbraw/zinc/58/17/10/721581710.db2.gz PDOYQTDXIQJVCB-RMTZWNOUSA-N 0 0 429.568 4.024 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2cc(SCc3ccccc3)ncn2)[C@H]2CCCO[C@H]12 ZINC001164806275 721584890 /nfs/dbraw/zinc/58/48/90/721584890.db2.gz MSWPOKKFSRPIGN-FBLLAGFSSA-N 0 0 447.608 4.032 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CCCCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164806287 721589285 /nfs/dbraw/zinc/58/92/85/721589285.db2.gz MUNOCBFQZKPDCG-MQSCRBSSSA-N 0 0 442.007 4.441 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)Sc2ccc(Cl)nc2)[C@@H]2CCCO[C@H]12 ZINC001164805809 721590097 /nfs/dbraw/zinc/59/00/97/721590097.db2.gz LXYBRPINQOUPJJ-LMMKCTJWSA-N 0 0 440.947 4.136 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc3c2CCC3)[C@@H]2CCCO[C@H]12 ZINC001164800855 721591591 /nfs/dbraw/zinc/59/15/91/721591591.db2.gz CVVIPGSOGYOQEW-SJBKTWHCSA-N 0 0 448.945 4.032 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CC3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164803391 721591798 /nfs/dbraw/zinc/59/17/98/721591798.db2.gz HXXIGQXDVBLHLM-NJDAHSKKSA-N 0 0 448.945 4.421 20 0 IIADRN COc1nc(Cl)ncc1C(F)(F)N1C[C@H]2CCC[C@@]2(COCc2cncc(C)c2)C1 ZINC001164799741 721601446 /nfs/dbraw/zinc/60/14/46/721601446.db2.gz JZBNIZDOKHXQFJ-UZLBHIALSA-N 0 0 438.906 4.210 20 0 IIADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCOC[C@@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164803810 721607483 /nfs/dbraw/zinc/60/74/83/721607483.db2.gz KMRLMDPEVGGRST-GHTZIAJQSA-N 0 0 448.901 4.084 20 0 IIADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3)nc3ccccc31)C2 ZINC001165010839 721701520 /nfs/dbraw/zinc/70/15/20/721701520.db2.gz NLCWUJKGIYJNCF-UHFFFAOYSA-N 0 0 427.556 4.139 20 0 IIADRN Cc1ccc(-c2nc3ccccc3c(N3CCCn4c(CN(C)C(C)C)nnc4C3)n2)cc1 ZINC001165010085 721708934 /nfs/dbraw/zinc/70/89/34/721708934.db2.gz ZISWLVAKNYVTMQ-UHFFFAOYSA-N 0 0 441.583 4.447 20 0 IIADRN CC(C)N(C)Cc1nnc2n1CCCN(c1ncc(OCc3ccccc3)cc1Cl)C2 ZINC001165008538 721711166 /nfs/dbraw/zinc/71/11/66/721711166.db2.gz GNHAESNQTLNOSP-UHFFFAOYSA-N 0 0 440.979 4.156 20 0 IIADRN CCOc1ccc2ncnc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)c2c1 ZINC001164910761 721755995 /nfs/dbraw/zinc/75/59/95/721755995.db2.gz RDVJSWDDPMCQEC-UHFFFAOYSA-N 0 0 429.524 4.211 20 0 IIADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1C[C@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001165016571 721764007 /nfs/dbraw/zinc/76/40/07/721764007.db2.gz XXZABDAYUIKUDB-MAZHCROVSA-N 0 0 427.904 4.034 20 0 IIADRN COC(=O)c1cc(Cl)c(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc1C ZINC001164912240 721764511 /nfs/dbraw/zinc/76/45/11/721764511.db2.gz VZJUSMOHGRDERJ-UHFFFAOYSA-N 0 0 440.931 4.013 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)Oc1ccnc(Cl)c1)C2 ZINC001164910523 721765119 /nfs/dbraw/zinc/76/51/19/721765119.db2.gz HLLBNXXPWFKKMA-UHFFFAOYSA-N 0 0 434.874 4.342 20 0 IIADRN O=C1[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)C[C@@H]2CN1c1cccnc1 ZINC001165023647 721794012 /nfs/dbraw/zinc/79/40/12/721794012.db2.gz QEBPUTPOMHODJQ-RHSMWYFYSA-N 0 0 432.902 4.043 20 0 IIADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164915855 721804962 /nfs/dbraw/zinc/80/49/62/721804962.db2.gz LSXJXWNUIHEOQW-OXJNMPFZSA-N 0 0 432.858 4.040 20 0 IIADRN CSc1ccc(C(F)(F)N2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)nc1Cl ZINC001164915827 721806321 /nfs/dbraw/zinc/80/63/21/721806321.db2.gz LHJQXSCIQXQVDB-RDTXWAMCSA-N 0 0 427.904 4.214 20 0 IIADRN Fc1cnc(Cl)cc1C(F)(F)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164917227 721809771 /nfs/dbraw/zinc/80/97/71/721809771.db2.gz LSZVJFYCCGTLLR-JDSLSITLSA-N 0 0 433.883 4.076 20 0 IIADRN Fc1cc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)cnc1Cl ZINC001164918573 721809827 /nfs/dbraw/zinc/80/98/27/721809827.db2.gz RNWHXPUIMQFDSO-SGIREYDYSA-N 0 0 433.883 4.076 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC001164918916 721819032 /nfs/dbraw/zinc/81/90/32/721819032.db2.gz XGVUPIFFRZHIPV-UHFFFAOYSA-N 0 0 442.542 4.382 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2C[C@@H]3COC[C@@]3(COCc3ccccn3)C2)c1 ZINC001164924550 721840003 /nfs/dbraw/zinc/84/00/03/721840003.db2.gz NBHWFTRNUDJRHO-AUUYWEPGSA-N 0 0 441.931 4.066 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@H]21)NC1CCC1 ZINC001164931209 721895951 /nfs/dbraw/zinc/89/59/51/721895951.db2.gz DOPXNTNGKMBVPS-ZTNFWEORSA-N 0 0 449.929 4.333 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)CC[C@@H]21)NC1CCC1 ZINC001164934910 721896622 /nfs/dbraw/zinc/89/66/22/721896622.db2.gz UENYUBYFLPPVAJ-IEZWGBDMSA-N 0 0 449.929 4.333 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)n1 ZINC001164933379 721898345 /nfs/dbraw/zinc/89/83/45/721898345.db2.gz LHSQFLAFDGBPIP-OAQYLSRUSA-N 0 0 443.885 4.119 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164935680 721910669 /nfs/dbraw/zinc/91/06/69/721910669.db2.gz NAWSPBJKMWRGIK-DYVFJYSZSA-N 0 0 446.860 4.318 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001164938261 721915941 /nfs/dbraw/zinc/91/59/41/721915941.db2.gz KJXUUKAGJHSSGI-UHFFFAOYSA-N 0 0 444.873 4.392 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(Cl)nc4cc(Cl)ccc43)C[C@H]21 ZINC001164942569 721942168 /nfs/dbraw/zinc/94/21/68/721942168.db2.gz KTVHKWMDRBJWHM-WOJBJXKFSA-N 0 0 433.339 4.236 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(-c4ccsc4)nc4ccccc43)C[C@H]21 ZINC001164947263 721957024 /nfs/dbraw/zinc/95/70/24/721957024.db2.gz PIHOGMUKVUASHV-FGZHOGPDSA-N 0 0 447.564 4.053 20 0 IIADRN COc1ccccc1Oc1nc(Cl)ncc1N1CCN(CCOc2ccccc2)CC1 ZINC001165046184 721961964 /nfs/dbraw/zinc/96/19/64/721961964.db2.gz IHHQEHCDWDMDON-UHFFFAOYSA-N 0 0 440.931 4.132 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3c(Cl)ccc4ccc(Cl)nc43)C[C@H]21 ZINC001164948402 721962206 /nfs/dbraw/zinc/96/22/06/721962206.db2.gz UPHMNBLKUQTIOC-MSOLQXFVSA-N 0 0 433.339 4.236 20 0 IIADRN Cc1cc(CN(C)[C@]2(F)CN(Cc3ccccc3)Cc3c(Cl)nc(Cl)nc32)n(C)n1 ZINC001165050909 721990098 /nfs/dbraw/zinc/99/00/98/721990098.db2.gz KKJBUTSRDIZSOY-OAQYLSRUSA-N 0 0 449.361 4.095 20 0 IIADRN Clc1ccccc1Oc1nc(Cl)ncc1N1CCN(CCc2ccccn2)CC1 ZINC001165055239 722019771 /nfs/dbraw/zinc/01/97/71/722019771.db2.gz NLRWYUJLEINSTC-UHFFFAOYSA-N 0 0 430.339 4.335 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1ccnc(Cl)c1Cl ZINC001164965018 722028231 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IZIBKWQJCCQHHD-IFIJOSMWSA-N 0 0 436.846 4.068 20 0 IIADRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4c5c(nnc4Cl)CCC5)C3)CC2=O)s1 ZINC001164965436 722044365 /nfs/dbraw/zinc/04/43/65/722044365.db2.gz YPTJVNYUMOWNRB-LJQANCHMSA-N 0 0 438.931 4.167 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C[C@@H]21 ZINC001164959792 722048783 /nfs/dbraw/zinc/04/87/83/722048783.db2.gz SHFSHEWDZXNOHG-JQWIXIFHSA-N 0 0 435.780 4.243 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C[C@H]21 ZINC001164960863 722048831 /nfs/dbraw/zinc/04/88/31/722048831.db2.gz XZOMHXDXRNQFAM-MAUKXSAKSA-N 0 0 444.869 4.286 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc(C)nnc2Cl)[C@@H]3C)c1 ZINC001164966137 722063547 /nfs/dbraw/zinc/06/35/47/722063547.db2.gz ONZQZYZEOQXZJI-OAHLLOKOSA-N 0 0 448.905 4.181 20 0 IIADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164968028 722077989 /nfs/dbraw/zinc/07/79/89/722077989.db2.gz OSRJEEDBNRWUID-UHFFFAOYSA-N 0 0 426.294 4.392 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164968357 722082798 /nfs/dbraw/zinc/08/27/98/722082798.db2.gz BWOUEAWATLFKQM-UHFFFAOYSA-N 0 0 443.841 4.353 20 0 IIADRN COc1ccc(C(F)(F)N2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)nc1Cl ZINC001164972716 722091452 /nfs/dbraw/zinc/09/14/52/722091452.db2.gz HNHLHFRLMBLUPS-HNNXBMFYSA-N 0 0 427.923 4.201 20 0 IIADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001164972372 722091500 /nfs/dbraw/zinc/09/15/00/722091500.db2.gz GPBVLCILUFWUBR-LJQANCHMSA-N 0 0 431.024 4.244 20 0 IIADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001164977649 722091638 /nfs/dbraw/zinc/09/16/38/722091638.db2.gz VFTAPQISCSEPBT-AWEZNQCLSA-N 0 0 447.357 4.327 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3ccc(Cl)nc3Cl)C[C@@H]21 ZINC001164976285 722096831 /nfs/dbraw/zinc/09/68/31/722096831.db2.gz GQOKUQPQSBBICA-GRDNDAEWSA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)C[C@@H]21 ZINC001164984846 722097138 /nfs/dbraw/zinc/09/71/38/722097138.db2.gz XKBWROGIMCVHQC-SUNYJGFJSA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)C[C@@H]21 ZINC001164986064 722098025 /nfs/dbraw/zinc/09/80/25/722098025.db2.gz XVGIJSVWKDWYRQ-JTDSTZFVSA-N 0 0 447.917 4.098 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)C[C@H]21 ZINC001164980709 722098560 /nfs/dbraw/zinc/09/85/60/722098560.db2.gz JYLNKEVJBOOOEQ-CSODHUTKSA-N 0 0 446.929 4.315 20 0 IIADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)C2)C1=O ZINC001164982480 722162874 /nfs/dbraw/zinc/16/28/74/722162874.db2.gz VTQAYWJSKKYRDB-HXUWFJFHSA-N 0 0 430.842 4.059 20 0 IIADRN COc1nc(Cl)ncc1C(F)(F)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164980224 722165423 /nfs/dbraw/zinc/16/54/23/722165423.db2.gz XHNUHCJXEOIUDE-DNVCBOLYSA-N 0 0 431.911 4.018 20 0 IIADRN CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3c4ccccc4[C@@H](OCC4CC4)[C@@H]3C2)n1 ZINC001164976931 722170408 /nfs/dbraw/zinc/17/04/08/722170408.db2.gz KXSCAGRVCAZDRA-MBOZVWFJSA-N 0 0 434.918 4.442 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5ccc(F)cc54)CC[C@H]32)cs1 ZINC001164988402 722176562 /nfs/dbraw/zinc/17/65/62/722176562.db2.gz QOEBAZYESBKYAQ-MOPGFXCFSA-N 0 0 447.967 4.057 20 0 IIADRN CSc1nc2ccsc2c(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)n1 ZINC001164991149 722180564 /nfs/dbraw/zinc/18/05/64/722180564.db2.gz OUUWDUPDJYVOQG-SJORKVTESA-N 0 0 447.655 4.048 20 0 IIADRN CSc1nc2ccsc2c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)n1 ZINC001164991146 722180700 /nfs/dbraw/zinc/18/07/00/722180700.db2.gz OUUWDUPDJYVOQG-IAGOWNOFSA-N 0 0 447.655 4.048 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nnc(Cl)c5cccc(C)c54)CC[C@H]32)cs1 ZINC001164993867 722181191 /nfs/dbraw/zinc/18/11/91/722181191.db2.gz XICPAMLTXBTVQH-RTBURBONSA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)nc5cc(Cl)ccc54)CC[C@@H]32)cs1 ZINC001164986623 722182034 /nfs/dbraw/zinc/18/20/34/722182034.db2.gz DWYRWKGBDXXRFZ-LEWJYISDSA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)nc5cc(Cl)ccc54)CC[C@H]32)cs1 ZINC001164986629 722182244 /nfs/dbraw/zinc/18/22/44/722182244.db2.gz DWYRWKGBDXXRFZ-RTWAWAEBSA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)nc5c6ccccc6oc54)CC[C@H]32)cs1 ZINC001164986534 722183937 /nfs/dbraw/zinc/18/39/37/722183937.db2.gz DKTUQCNEVKPMFS-TZIWHRDSSA-N 0 0 449.580 4.319 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(C)nc(-c5ccsc5)n4)CC[C@@H]32)cs1 ZINC001164985314 722185694 /nfs/dbraw/zinc/18/56/94/722185694.db2.gz BDCANYDUKWCTQC-VQTJNVASSA-N 0 0 441.626 4.148 20 0 IIADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cnc(Cl)cc2Cl)n1 ZINC001165001257 722226082 /nfs/dbraw/zinc/22/60/82/722226082.db2.gz XQBYSPUAAPSAAO-CQSZACIVSA-N 0 0 432.302 4.147 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)Sc2ccc(Cl)nc2)n1 ZINC001164999638 722227407 /nfs/dbraw/zinc/22/74/07/722227407.db2.gz NQDDFNWIWNOFOR-AWEZNQCLSA-N 0 0 429.924 4.087 20 0 IIADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1ccc(Cl)c(Cl)n1)CCO2 ZINC001165002095 722249466 /nfs/dbraw/zinc/24/94/66/722249466.db2.gz WBHAQRVYALZBKU-SFHVURJKSA-N 0 0 446.281 4.038 20 0 IIADRN C[C@@H]1CN(C(F)(F)c2cccnc2Cl)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165008940 722273304 /nfs/dbraw/zinc/27/33/04/722273304.db2.gz MDKSRMYOWZCSLF-CFLQYTFWSA-N 0 0 436.890 4.078 20 0 IIADRN C[N@@H+]1CCC[C@H](CNC(=O)NC2(C(=O)[O-])CCCCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576950 939136968 /nfs/dbraw/zinc/13/69/68/939136968.db2.gz CLGDVQMZGDQPDE-SJLPKXTDSA-N 0 0 441.494 4.175 20 0 IIADRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001123267482 939816720 /nfs/dbraw/zinc/81/67/20/939816720.db2.gz IHUNOEGFCQYIPW-RXFWQSSRSA-N 0 0 438.568 4.121 20 0 IIADRN O=C([O-])[C@]1(NC(=O)Cc2cc3c(ccc4ccccc34)o2)CCC[N@H+](Cc2ccccc2)C1 ZINC001123270587 939818825 /nfs/dbraw/zinc/81/88/25/939818825.db2.gz JJGSIEVEADMTCQ-MHZLTWQESA-N 0 0 442.515 4.364 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(Br)cc1Cl ZINC000426718857 1126081833 /nfs/dbraw/zinc/08/18/33/1126081833.db2.gz CHDQMUHQGRXLFV-INIZCTEOSA-N 0 0 440.721 4.049 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000426723647 1126082674 /nfs/dbraw/zinc/08/26/74/1126082674.db2.gz NCLXDRHVDFRZPK-INIZCTEOSA-N 0 0 440.721 4.049 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000426732558 1126084238 /nfs/dbraw/zinc/08/42/38/1126084238.db2.gz UJYXHFWWGHMMAD-LJQANCHMSA-N 0 0 437.849 4.389 20 0 IIADRN O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426741958 1126085543 /nfs/dbraw/zinc/08/55/43/1126085543.db2.gz NTLVIBDKWNGEDF-KRWDZBQOSA-N 0 0 443.693 4.152 20 0 IIADRN COc1cccc(C[NH2+][C@@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])c1OC ZINC000426735616 1126084630 /nfs/dbraw/zinc/08/46/30/1126084630.db2.gz GAUARAXCJDHJSC-KRWDZBQOSA-N 0 0 432.929 4.266 20 0 IIADRN O=C([O-])[C@@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000426735214 1126084661 /nfs/dbraw/zinc/08/46/61/1126084661.db2.gz DMDSIFMGYXZHSB-HXUWFJFHSA-N 0 0 438.940 4.435 20 0 IIADRN COc1ccc(C[NH2+][C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])c(Br)c1O ZINC000426737096 1126085015 /nfs/dbraw/zinc/08/50/15/1126085015.db2.gz LUWTZALBRQOTCG-CYBMUJFWSA-N 0 0 449.128 4.256 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000426760190 1126088653 /nfs/dbraw/zinc/08/86/53/1126088653.db2.gz QJKCIHIAVSJUJD-GOSISDBHSA-N 0 0 434.721 4.074 20 0 IIADRN COc1cc(C[NH2+][C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])ccc1OCc1ccncc1 ZINC000426766960 1126089288 /nfs/dbraw/zinc/08/92/88/1126089288.db2.gz IOZFTLKVQSQSOU-QFIPXVFZSA-N 0 0 449.482 4.075 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000426765051 1126089315 /nfs/dbraw/zinc/08/93/15/1126089315.db2.gz BOKANAITGIFKLY-KRWDZBQOSA-N 0 0 428.357 4.173 20 0 IIADRN COc1c(Br)cccc1C[NH2+][C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000426748041 1126086586 /nfs/dbraw/zinc/08/65/86/1126086586.db2.gz UKXCSTLHPCCSCJ-OAHLLOKOSA-N 0 0 443.135 4.006 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000426754365 1126087730 /nfs/dbraw/zinc/08/77/30/1126087730.db2.gz PQNZYRONSNKSGD-CQSZACIVSA-N 0 0 434.664 4.489 20 0 IIADRN CCOC(=O)c1c(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)occ1C(F)(F)F ZINC001460687205 1126191381 /nfs/dbraw/zinc/19/13/81/1126191381.db2.gz DHPWQUHVMZAZQS-BBRMVZONSA-N 0 0 439.352 4.099 20 0 IIADRN COc1ccccc1Cn1c2nnc(SCc3csc(C)n3)n2c2ccccc2c1=O ZINC000003473451 562936163 /nfs/dbraw/zinc/93/61/63/562936163.db2.gz PUBFXEBFXGYZDM-UHFFFAOYSA-N 0 0 449.561 4.158 20 0 IIADRN Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020181889 563023938 /nfs/dbraw/zinc/02/39/38/563023938.db2.gz HZUDDTCXAGPNJY-NRFANRHFSA-N 0 0 445.972 4.041 20 0 aggregator IIADRN COc1cc(NC(=O)c2cccc(C(=O)Nc3cc(OC)cc(OC)c3)c2)cc(OC)c1 ZINC000028708439 563062247 /nfs/dbraw/zinc/06/22/47/563062247.db2.gz MCVBOZWEFDMXJA-UHFFFAOYSA-N 0 0 436.464 4.226 20 0 IIADRN O=C1c2ccccc2[C@@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)C[C@@H]12 ZINC001164400018 718846391 /nfs/dbraw/zinc/84/63/91/718846391.db2.gz NLTYESJWVAHLSJ-VQTJNVASSA-N 0 0 430.939 4.105 20 0 IIADRN O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2CC(F)(F)[C@@H]2C1 ZINC001164407810 718867856 /nfs/dbraw/zinc/86/78/56/718867856.db2.gz KDTUUDPYQXNZHC-GXTWGEPZSA-N 0 0 429.801 4.123 20 0 IIADRN O=C1CC2(CCN(C(F)(F)c3ccc4ncnc(Cl)c4n3)CC2)c2cc(F)ccc21 ZINC001164423580 718937022 /nfs/dbraw/zinc/93/70/22/718937022.db2.gz IJARNUIQGQWFJI-UHFFFAOYSA-N 0 0 432.833 4.487 20 0 IIADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CC(=O)c4ccc(F)cc43)CC2)c1 ZINC001164423712 718939293 /nfs/dbraw/zinc/93/92/93/718939293.db2.gz JVZOFJRTVJQJHL-UHFFFAOYSA-N 0 0 438.833 4.330 20 0 IIADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164431650 718974336 /nfs/dbraw/zinc/97/43/36/718974336.db2.gz ADSVQEYOLWUZKD-RDTXWAMCSA-N 0 0 446.281 4.030 20 0 IIADRN CCOC(=O)[C@]12CCO[C@H]1CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164431648 718974590 /nfs/dbraw/zinc/97/45/90/718974590.db2.gz ADSVQEYOLWUZKD-KSSFIOAISA-N 0 0 446.281 4.030 20 0 IIADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164431830 718982056 /nfs/dbraw/zinc/98/20/56/718982056.db2.gz BVVTXAWGJRUEMC-FXAWDEMLSA-N 0 0 428.907 4.097 20 0 IIADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4c5c(nnc4Cl)CCC5)C[C@H]3O2)n1 ZINC001164635745 719262655 /nfs/dbraw/zinc/26/26/55/719262655.db2.gz IEKDXADVZTXMNQ-DOPJRALCSA-N 0 0 449.933 4.434 20 0 IIADRN CSc1ccc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCc2ccncc2)nc1Cl ZINC001164645730 719293831 /nfs/dbraw/zinc/29/38/31/719293831.db2.gz LHOUEJOQLZGLME-VKJFTORMSA-N 0 0 441.931 4.350 20 0 IIADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164656906 719295533 /nfs/dbraw/zinc/29/55/33/719295533.db2.gz ZFZGJHQPJZXOFL-MPGHIAIKSA-N 0 0 446.281 4.161 20 0 IIADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C[C@@H]3O2)n1 ZINC001164655652 719298345 /nfs/dbraw/zinc/29/83/45/719298345.db2.gz UMJHCJVWGFIWCP-BPNCWPANSA-N 0 0 439.825 4.015 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)C[C@H]2CCCO[C@H]21 ZINC001164650507 719304111 /nfs/dbraw/zinc/30/41/11/719304111.db2.gz IIEDXUJDSSMDTA-LXGCGDOSSA-N 0 0 435.902 4.039 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)C[C@@H]2CCCO[C@H]12 ZINC001164650509 719304242 /nfs/dbraw/zinc/30/42/42/719304242.db2.gz IIEDXUJDSSMDTA-QMIHWGKISA-N 0 0 435.902 4.039 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc3c(ccnc3Cl)c2)C[C@H]2CCCO[C@@H]21 ZINC001164654251 719305398 /nfs/dbraw/zinc/30/53/98/719305398.db2.gz QXIKRKRZJXKZSQ-ZTNFWEORSA-N 0 0 435.902 4.039 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1ncnc3c1ccn3Cc1ccc(F)cc1)CC2 ZINC001164649740 719311746 /nfs/dbraw/zinc/31/17/46/719311746.db2.gz RXVGDDDCLBNHAC-UHFFFAOYSA-N 0 0 447.562 4.020 20 0 IIADRN COC(=O)c1ccc(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c(Cl)n1 ZINC001164659810 719343132 /nfs/dbraw/zinc/34/31/32/719343132.db2.gz FIXMDQMMAYKCSK-KSZLIROESA-N 0 0 444.906 4.010 20 0 IIADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c1 ZINC001164662631 719343462 /nfs/dbraw/zinc/34/34/62/719343462.db2.gz QTEZYIGLCDHMFI-FCEWJHQRSA-N 0 0 444.906 4.010 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(Cl)cc1OC)CC2 ZINC001164664164 719348103 /nfs/dbraw/zinc/34/81/03/719348103.db2.gz SQFURXSRBOWKBC-UHFFFAOYSA-N 0 0 437.975 4.438 20 0 IIADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164664600 719359267 /nfs/dbraw/zinc/35/92/67/719359267.db2.gz ORYWMKGMNVFHGI-UHFFFAOYSA-N 0 0 449.354 4.477 20 0 IIADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164664227 719359542 /nfs/dbraw/zinc/35/95/42/719359542.db2.gz MIKSHYGNAPGBMN-UHFFFAOYSA-N 0 0 449.354 4.477 20 0 IIADRN CCOC[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)n2)Cc2nn(CC3CC3)cc21 ZINC001164662697 719362615 /nfs/dbraw/zinc/36/26/15/719362615.db2.gz DTMWQBFWGOPQEO-LBPRGKRZSA-N 0 0 432.302 4.075 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)c2ccc(OC)nc2Cl)Cc2nn(CC3CC3)cc21 ZINC001164665092 719363477 /nfs/dbraw/zinc/36/34/77/719363477.db2.gz VBPAAJGEFTYERU-CQSZACIVSA-N 0 0 426.895 4.035 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)Cc2nn(CC3CC3)cc21 ZINC001164663235 719363629 /nfs/dbraw/zinc/36/36/29/719363629.db2.gz IGGQFAUIVSTNNP-CYBMUJFWSA-N 0 0 446.329 4.161 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2nnc(Cl)c4ccccc42)CC3)cc1 ZINC001164672294 719495875 /nfs/dbraw/zinc/49/58/75/719495875.db2.gz INDXDBLZAMXRIH-UHFFFAOYSA-N 0 0 426.923 4.294 20 0 IIADRN CC(C)(C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1 ZINC001164672594 719518996 /nfs/dbraw/zinc/51/89/96/719518996.db2.gz LNDVIZDTTILJKP-UHFFFAOYSA-N 0 0 437.563 4.266 20 0 IIADRN COc1ccccc1-c1ccnc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1 ZINC001164673943 719524005 /nfs/dbraw/zinc/52/40/05/719524005.db2.gz UPBFYWJQJOXKJY-UHFFFAOYSA-N 0 0 448.542 4.163 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2nnc(Cl)c4ccc(F)cc42)CC3)cc1 ZINC001164678485 719527738 /nfs/dbraw/zinc/52/77/38/719527738.db2.gz LLLUBLNZGWTNBQ-UHFFFAOYSA-N 0 0 444.913 4.433 20 0 IIADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001164677264 719566970 /nfs/dbraw/zinc/56/69/70/719566970.db2.gz XSLGYCFSLIPOEA-UHFFFAOYSA-N 0 0 448.886 4.199 20 0 IIADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2cccc(Cl)n2)CC3)cs1 ZINC001164688613 719592193 /nfs/dbraw/zinc/59/21/93/719592193.db2.gz YIKREKNPVNTNLC-UHFFFAOYSA-N 0 0 426.920 4.206 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1cc(Cl)ncc1Cl)C[C@@H]2COc1cccnc1 ZINC001164684701 719595578 /nfs/dbraw/zinc/59/55/78/719595578.db2.gz JGZDHPDTVUFFQH-GFCCVEGCSA-N 0 0 440.281 4.245 20 0 IIADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc3c2CCCCC3)N1Cc1cccnc1 ZINC001164691019 719778226 /nfs/dbraw/zinc/77/82/26/719778226.db2.gz KCGMFZDSBISTLC-VQTJNVASSA-N 0 0 446.929 4.324 20 0 IIADRN COc1ccc2nc(C(F)(F)N3CCc4ncnc(OC(C)C)c4CC3)nc(Cl)c2c1 ZINC001164696072 719792118 /nfs/dbraw/zinc/79/21/18/719792118.db2.gz SEAYOYVFPDXGSC-UHFFFAOYSA-N 0 0 449.889 4.019 20 0 IIADRN COc1cccc(-c2ccnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)n2)c1 ZINC001164696224 719895149 /nfs/dbraw/zinc/89/51/49/719895149.db2.gz CNHTXXAFPUACPF-UHFFFAOYSA-N 0 0 436.581 4.085 20 0 IIADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCOC[C@@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164806165 720051373 /nfs/dbraw/zinc/05/13/73/720051373.db2.gz RRBZEXZBOHMWPN-WIYYLYMNSA-N 0 0 448.901 4.084 20 0 IIADRN Cc1noc([C@@]23COC[C@H]2CN(C(F)(F)c2ccc4nc(Cl)cc(Cl)c4c2)C3)n1 ZINC001164803915 720056948 /nfs/dbraw/zinc/05/69/48/720056948.db2.gz KZKVHLQALBMYBF-XIKOKIGWSA-N 0 0 441.265 4.182 20 0 IIADRN CCO[C@@H]1CN(c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)[C@@H]2CCCO[C@@H]12 ZINC001164711561 720065539 /nfs/dbraw/zinc/06/55/39/720065539.db2.gz IKDZGEQQPNPNPX-WOIUINJBSA-N 0 0 438.597 4.193 20 0 IIADRN CCO[C@@H]1CN(c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)[C@H]2CCCO[C@H]12 ZINC001164711554 720065621 /nfs/dbraw/zinc/06/56/21/720065621.db2.gz IKDZGEQQPNPNPX-JQVVWYNYSA-N 0 0 438.597 4.193 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(Cl)c2)cs1 ZINC001164815143 720251120 /nfs/dbraw/zinc/25/11/20/720251120.db2.gz BCLIRTBPNSEHDD-ZIAGYGMSSA-N 0 0 447.338 4.468 20 0 IIADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc12 ZINC001164730520 720354118 /nfs/dbraw/zinc/35/41/18/720354118.db2.gz ZZXQSGRTTCLFTA-IRXDYDNUSA-N 0 0 433.865 4.215 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3F)[C@H]3CCCO[C@@H]23)cs1 ZINC001164821527 720389285 /nfs/dbraw/zinc/38/92/85/720389285.db2.gz HOSVXIDXAYDDGZ-SQWLQELKSA-N 0 0 433.883 4.137 20 0 IIADRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc(C)c(Cl)n3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164823714 720389964 /nfs/dbraw/zinc/38/99/64/720389964.db2.gz PMGFTLJSHOJOQT-ZMSDIMECSA-N 0 0 429.920 4.306 20 0 IIADRN COc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)nc(Cl)n1 ZINC001164832040 720396824 /nfs/dbraw/zinc/39/68/24/720396824.db2.gz YEMGCAINKVELMY-GOSISDBHSA-N 0 0 444.860 4.426 20 0 IIADRN [O-][n+]1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)cc1Cl ZINC001164828108 720397360 /nfs/dbraw/zinc/39/73/60/720397360.db2.gz HTAJXQYOUBBFGT-SFHVURJKSA-N 0 0 429.845 4.260 20 0 IIADRN CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@@H]21 ZINC001164828562 720421166 /nfs/dbraw/zinc/42/11/66/720421166.db2.gz XKCCKIRZCOCVQX-RVKKMQEKSA-N 0 0 437.918 4.047 20 0 IIADRN COc1ccc2nc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc(Cl)c2c1 ZINC001164730943 720449543 /nfs/dbraw/zinc/44/95/43/720449543.db2.gz JXLKOIVWOOBNHU-MOPGFXCFSA-N 0 0 445.901 4.085 20 0 IIADRN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@H](O)[C@@H]3Cc3ccccc3)c2c1C ZINC001164834508 720492480 /nfs/dbraw/zinc/49/24/80/720492480.db2.gz SUYWPKSRWRQMJT-SFTDATJTSA-N 0 0 436.625 4.476 20 0 IIADRN FC(F)(c1cnc(Cl)nc1Cl)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001164733672 720536435 /nfs/dbraw/zinc/53/64/35/720536435.db2.gz DZOUZCOZHGWRTD-UGSOOPFHSA-N 0 0 445.297 4.178 20 0 IIADRN COc1ccc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COc3ccccn3)C2)nc1Cl ZINC001164735831 720539944 /nfs/dbraw/zinc/53/99/44/720539944.db2.gz RYYCAMIQZKRKRQ-FOIQADDNSA-N 0 0 439.890 4.138 20 0 IIADRN O=C1CC[C@H]2[C@H](CCN2C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)N1c1ccccc1 ZINC001164843845 720762587 /nfs/dbraw/zinc/76/25/87/720762587.db2.gz AWHDWRQMGIGCIM-IRXDYDNUSA-N 0 0 447.917 4.049 20 0 IIADRN FC(F)(c1cnc(Cl)nc1Cl)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@@H]21 ZINC001164849903 720769206 /nfs/dbraw/zinc/76/92/06/720769206.db2.gz UODBSVUXAOMMPD-KBMXLJTQSA-N 0 0 445.297 4.066 20 0 IIADRN COc1cc(C(F)(F)N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@H]32)cc(Cl)n1 ZINC001164849490 720771601 /nfs/dbraw/zinc/77/16/01/720771601.db2.gz SVHGLAHMMLBRMF-KSZLIROESA-N 0 0 439.890 4.027 20 0 IIADRN COc1ccc(C(F)(F)N2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)nc1Cl ZINC001164849584 720774725 /nfs/dbraw/zinc/77/47/25/720774725.db2.gz UHIPFKAYECCFMH-ULQDDVLXSA-N 0 0 439.890 4.027 20 0 IIADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C2)CC1 ZINC001164857561 720894355 /nfs/dbraw/zinc/89/43/55/720894355.db2.gz IUGGYRMYQSLSLR-UHFFFAOYSA-N 0 0 445.901 4.289 20 0 IIADRN Clc1ccc(CN2CCCC2)c(N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)n1 ZINC001164763829 721028589 /nfs/dbraw/zinc/02/85/89/721028589.db2.gz LSDOSOLBTAUECL-ZJSXRUAMSA-N 0 0 442.991 4.071 20 0 IIADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001164862041 721033989 /nfs/dbraw/zinc/03/39/89/721033989.db2.gz KOQRJHHDJJJEKG-UHFFFAOYSA-N 0 0 447.704 4.091 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(Cl)c2)n1 ZINC001164774789 721050042 /nfs/dbraw/zinc/05/00/42/721050042.db2.gz YDYKPIQSVTZVJX-HOTGVXAUSA-N 0 0 427.282 4.017 20 0 IIADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164871805 721218267 /nfs/dbraw/zinc/21/82/67/721218267.db2.gz LTBDDNODIIYAKK-UHFFFAOYSA-N 0 0 445.901 4.099 20 0 IIADRN FC(F)(Sc1ccc(Cl)nc1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164870764 721221674 /nfs/dbraw/zinc/22/16/74/721221674.db2.gz HWSSCGSJRVVNMX-UHFFFAOYSA-N 0 0 426.920 4.144 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@@H]32)N=C1C ZINC001164869087 721228910 /nfs/dbraw/zinc/22/89/10/721228910.db2.gz BOZIVWDIIZEITD-HZUJVAHNSA-N 0 0 432.902 4.299 20 0 IIADRN O=C(N1CCCC1)C12CC(C1)CN2C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164871218 721236940 /nfs/dbraw/zinc/23/69/40/721236940.db2.gz FOAWWAFNZOCHKL-UHFFFAOYSA-N 0 0 427.282 4.073 20 0 IIADRN CSc1nc(Cl)cc(C(F)(F)N2CCn3c(COCC4CC4)cnc3[C@@H]2C)n1 ZINC001164874037 721239417 /nfs/dbraw/zinc/23/94/17/721239417.db2.gz SLLBXYIJGLEWSU-NSHDSACASA-N 0 0 429.924 4.101 20 0 IIADRN O=C(NC[C@@H]1CCC[C@@]2(CCN(C(F)(F)c3ccc(Cl)nc3)C2)O1)c1ccccc1 ZINC001164876715 721253365 /nfs/dbraw/zinc/25/33/65/721253365.db2.gz PBHFPWHFZMDRHU-RXVVDRJESA-N 0 0 435.902 4.228 20 0 IIADRN Cc1nc(C(F)(F)N2CCc3c(COCc4ccccn4)cncc3C2)nc(Cl)c1C ZINC001164768415 721270295 /nfs/dbraw/zinc/27/02/95/721270295.db2.gz UPMXBBCEMOGHGH-UHFFFAOYSA-N 0 0 445.901 4.361 20 0 IIADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164874123 721310827 /nfs/dbraw/zinc/31/08/27/721310827.db2.gz BGEFGMFZLLDVLH-JCGIZDLHSA-N 0 0 446.885 4.286 20 0 IIADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164881106 721312418 /nfs/dbraw/zinc/31/24/18/721312418.db2.gz UTASDNURTLIRGN-BPLDGKMQSA-N 0 0 430.282 4.391 20 0 IIADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164878065 721312603 /nfs/dbraw/zinc/31/26/03/721312603.db2.gz KMTJFPUHTMBMRF-RRQGHBQHSA-N 0 0 434.874 4.219 20 0 IIADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164873148 721313242 /nfs/dbraw/zinc/31/32/42/721313242.db2.gz ALPXGKUMAXNXQV-GDIGMMSISA-N 0 0 446.885 4.286 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21 ZINC001164881952 721313793 /nfs/dbraw/zinc/31/37/93/721313793.db2.gz YMUKIPSIIQVWPJ-JCGIZDLHSA-N 0 0 446.885 4.286 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001164876547 721317696 /nfs/dbraw/zinc/31/76/96/721317696.db2.gz ISCOSWWKNNJREI-INIZCTEOSA-N 0 0 430.886 4.261 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)C[C@H]2C)C1=O ZINC001164777512 721323084 /nfs/dbraw/zinc/32/30/84/721323084.db2.gz KHXPRCWYGFTLPN-ZUOKHONESA-N 0 0 438.881 4.176 20 0 IIADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)N1c1ccsc1 ZINC001164884008 721355667 /nfs/dbraw/zinc/35/56/67/721355667.db2.gz SJGMFJSEFAWKCX-LSDHHAIUSA-N 0 0 438.862 4.413 20 0 IIADRN Cc1sc2nc(-c3cccnc3)nc(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c2c1C ZINC001164781917 721426322 /nfs/dbraw/zinc/42/63/22/721426322.db2.gz DVECGTCNSDVLCJ-HDICACEKSA-N 0 0 448.621 4.395 20 0 IIADRN Clc1ccc(-c2nc3c(c(N4C[C@H]5CN(Cc6nccs6)C[C@H]5C4)n2)CCC3)s1 ZINC001164786367 721432944 /nfs/dbraw/zinc/43/29/44/721432944.db2.gz OPFBDSZQXOMMKJ-OKILXGFUSA-N 0 0 444.029 4.372 20 0 IIADRN c1csc(CN2C[C@@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@@H]3C2)n1 ZINC001164782773 721435750 /nfs/dbraw/zinc/43/57/50/721435750.db2.gz IBJAZARBCFNNGL-BGYRXZFFSA-N 0 0 443.576 4.234 20 0 IIADRN c1csc(CN2C[C@@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@H]3C2)n1 ZINC001164782777 721436492 /nfs/dbraw/zinc/43/64/92/721436492.db2.gz IBJAZARBCFNNGL-WOJBJXKFSA-N 0 0 443.576 4.234 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@]23CN(C(F)(F)c2cnc(Cl)nc2)CCO3)cs1 ZINC001164781519 721443085 /nfs/dbraw/zinc/44/30/85/721443085.db2.gz GDCFMFZTGTZGML-KSSFIOAISA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN([C@@H](F)Oc2ccc(Cl)nc2)CCO3)cs1 ZINC001164784056 721444150 /nfs/dbraw/zinc/44/41/50/721444150.db2.gz OXQYFBPGVVUXIN-CWFSZBLJSA-N 0 0 441.956 4.220 20 0 IIADRN O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)O1 ZINC001164887383 721455450 /nfs/dbraw/zinc/45/54/50/721455450.db2.gz JWMAZXJOVWLLMI-UFYCRDLUSA-N 0 0 447.913 4.209 20 0 IIADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4ccc(Cl)nc4)C3)C2=O)cs1 ZINC001164888023 721460484 /nfs/dbraw/zinc/46/04/84/721460484.db2.gz LOQIUUWVUMLDTC-SFHVURJKSA-N 0 0 426.920 4.064 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)CC[C@@H]21 ZINC001164890150 721463032 /nfs/dbraw/zinc/46/30/32/721463032.db2.gz JETFJWOPXVXQRH-DOMZBBRYSA-N 0 0 426.870 4.050 20 0 IIADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)n1 ZINC001164888240 721465454 /nfs/dbraw/zinc/46/54/54/721465454.db2.gz FKXUPJXDGQVQDM-RTBURBONSA-N 0 0 443.661 4.233 20 0 IIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC[C@@H]21 ZINC001164893703 721466795 /nfs/dbraw/zinc/46/67/95/721466795.db2.gz UIINUFNYXJCENF-LPHOPBHVSA-N 0 0 434.918 4.425 20 0 IIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC[C@H]21 ZINC001164894160 721467366 /nfs/dbraw/zinc/46/73/66/721467366.db2.gz VUZNPMMRBMVIIN-WCQYABFASA-N 0 0 425.829 4.382 20 0 IIADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)C1(c2ccnc(Cl)c2)CC1 ZINC001164892536 721476162 /nfs/dbraw/zinc/47/61/62/721476162.db2.gz GJEODBAGKWEGKP-NRFANRHFSA-N 0 0 446.929 4.412 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)Cc2cnn(C)c21 ZINC001164793140 721477109 /nfs/dbraw/zinc/47/71/09/721477109.db2.gz SLLQOMDEPQXQAB-GFCCVEGCSA-N 0 0 442.297 4.355 20 0 IIADRN CCOC[C@@H]1CN(C(F)(F)c2cccc(-c3ccc(Cl)nn3)c2)Cc2cnn(C)c21 ZINC001164792770 721477940 /nfs/dbraw/zinc/47/79/40/721477940.db2.gz PNLORJYQULGCSP-INIZCTEOSA-N 0 0 433.890 4.216 20 0 IIADRN CNC(=O)N[C@@H]1CC2(CCN([C@H](F)Oc3ccc(Cl)nc3)CC2)c2ccc(C)cc21 ZINC001164900570 721492051 /nfs/dbraw/zinc/49/20/51/721492051.db2.gz QJJCGPPBPDBUQP-QUCCMNQESA-N 0 0 432.927 4.083 20 0 IIADRN CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CCC[C@]3(COc3ccccn3)C2)n1 ZINC001164795524 721505095 /nfs/dbraw/zinc/50/50/95/721505095.db2.gz KXUUHQCAERRAAQ-SCLBCKFNSA-N 0 0 426.920 4.477 20 0 IIADRN COC(=O)c1cc(C(F)(F)N2C[C@H]3CCC[C@]3(COc3ccccn3)C2)cnc1Cl ZINC001164796274 721505596 /nfs/dbraw/zinc/50/55/96/721505596.db2.gz QVLDPZNLBPSRGX-JLTOFOAXSA-N 0 0 437.874 4.147 20 0 IIADRN O=C1CCC2(CCN(C(F)(F)c3cnc(Cl)c(Cl)c3)CC2)N1Cc1ccncc1 ZINC001164895066 721505898 /nfs/dbraw/zinc/50/58/98/721505898.db2.gz ADGJCNNUEHUMCD-UHFFFAOYSA-N 0 0 441.309 4.490 20 0 IIADRN FC(F)(c1cnc2c(Cl)ncnc2c1)N1C[C@@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164796348 721506571 /nfs/dbraw/zinc/50/65/71/721506571.db2.gz SHMRDSNPKKKETH-VBKZILBWSA-N 0 0 431.874 4.304 20 0 IIADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164795797 721506943 /nfs/dbraw/zinc/50/69/43/721506943.db2.gz NHKFMAHNEYBYGR-VLIAUNLRSA-N 0 0 437.874 4.147 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3Cl)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164798639 721566818 /nfs/dbraw/zinc/56/68/18/721566818.db2.gz BROBOJWNLZUDGY-CQOQZXRMSA-N 0 0 435.959 4.060 20 0 IIADRN CN(C)C(=O)[C@@H]1CC12CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)CC2 ZINC001164904798 721569544 /nfs/dbraw/zinc/56/95/44/721569544.db2.gz FYTISZZGIHDRPT-ZDUSSCGKSA-N 0 0 429.298 4.176 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2OCc2ccc(F)cc2)[C@H]2CCCO[C@H]12 ZINC001164807667 721583265 /nfs/dbraw/zinc/58/32/65/721583265.db2.gz PEXWEJLRSIQHMV-ARNLJNQMSA-N 0 0 448.542 4.063 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nccc(SCc3ccccc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164806174 721587163 /nfs/dbraw/zinc/58/71/63/721587163.db2.gz MCNYPMHCESGMAB-WMTXJRDZSA-N 0 0 447.608 4.032 20 0 IIADRN Cc1nc(Cl)cc(C(F)(F)N2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)n1 ZINC001164803169 721603631 /nfs/dbraw/zinc/60/36/31/721603631.db2.gz UKORZBQDLXGHMZ-MRXNPFEDSA-N 0 0 438.906 4.080 20 0 IIADRN CC(C)N(C)Cc1nnc2n1CCCN(c1ncnc3scc(-c4ccccc4)c31)C2 ZINC001165011420 721698793 /nfs/dbraw/zinc/69/87/93/721698793.db2.gz SGOIBGPBCNSFLF-UHFFFAOYSA-N 0 0 433.585 4.200 20 0 IIADRN COc1cccc2nc(Cl)nc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)c21 ZINC001164910891 721756625 /nfs/dbraw/zinc/75/66/25/721756625.db2.gz TXDGOQRGRHTBPJ-UHFFFAOYSA-N 0 0 449.942 4.475 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncc3c(n1)-c1ccccc1CC3)C2 ZINC001164911742 721758797 /nfs/dbraw/zinc/75/87/97/721758797.db2.gz YJBJQCIOODARMT-UHFFFAOYSA-N 0 0 437.547 4.425 20 0 IIADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1C[C@H](OCC2CC2)[C@@H]2COC[C@H]21 ZINC001165013777 721761505 /nfs/dbraw/zinc/76/15/05/721761505.db2.gz ABOMLIPPUJSDAF-BMFZPTHFSA-N 0 0 430.282 4.112 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccccc3F)nn1)C2 ZINC001164910947 721762697 /nfs/dbraw/zinc/76/26/97/721762697.db2.gz MDEIZCCHYSSYJM-UHFFFAOYSA-N 0 0 429.499 4.465 20 0 IIADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@H]4COC[C@H]43)c(Cl)nn2)c1 ZINC001165015550 721764743 /nfs/dbraw/zinc/76/47/43/721764743.db2.gz QYPVKDUWAMHDIM-IPELMVKDSA-N 0 0 439.865 4.111 20 0 IIADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3ccc4nc(Cl)cnc4c3)[C@@H]2C1 ZINC001165019577 721770178 /nfs/dbraw/zinc/77/01/78/721770178.db2.gz WNYHWIWLJNCZHJ-SUMWQHHRSA-N 0 0 432.858 4.162 20 0 IIADRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@H]2CN1c1cccnc1 ZINC001165026150 721793711 /nfs/dbraw/zinc/79/37/11/721793711.db2.gz YIPYKDHQIWALAO-GUYCJALGSA-N 0 0 430.842 4.034 20 0 IIADRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@@H]2CN1c1cccnc1 ZINC001165026145 721793795 /nfs/dbraw/zinc/79/37/95/721793795.db2.gz YIPYKDHQIWALAO-CXAGYDPISA-N 0 0 430.842 4.034 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001164915407 721802617 /nfs/dbraw/zinc/80/26/17/721802617.db2.gz JXNAXFUZPQQPEG-KRWDZBQOSA-N 0 0 429.849 4.120 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164917382 721806235 /nfs/dbraw/zinc/80/62/35/721806235.db2.gz VYNRWJTYRBLGEA-FOIQADDNSA-N 0 0 432.858 4.040 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(c2cnc(Cl)nc2Oc2ccc(F)cc2)CC1 ZINC001164917247 721819368 /nfs/dbraw/zinc/81/93/68/721819368.db2.gz FJICNORHFRLIPT-UHFFFAOYSA-N 0 0 442.926 4.007 20 0 IIADRN CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164926107 721837187 /nfs/dbraw/zinc/83/71/87/721837187.db2.gz QDLQZRIWIPFNPU-DYESRHJHSA-N 0 0 449.933 4.212 20 0 IIADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1C[C@@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164923920 721838788 /nfs/dbraw/zinc/83/87/88/721838788.db2.gz KYTXMMKIKDVWRG-XMSQKQJNSA-N 0 0 445.897 4.498 20 0 IIADRN FC(F)(c1cc2ccccc2nc1Cl)N1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164925396 721839611 /nfs/dbraw/zinc/83/96/11/721839611.db2.gz OTKJKFRTDQSBTC-VGSWGCGISA-N 0 0 445.897 4.498 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)CC[C@H]21)NC1CCC1 ZINC001164934902 721896855 /nfs/dbraw/zinc/89/68/55/721896855.db2.gz UBLUNVZGRZELDY-KKVAFCGZSA-N 0 0 449.929 4.333 20 0 IIADRN Cc1cc(C(F)(F)N2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)c(Cl)nn1 ZINC001164930096 721899169 /nfs/dbraw/zinc/89/91/69/721899169.db2.gz ZRRIXKZKWVKRMP-OAQYLSRUSA-N 0 0 443.885 4.119 20 0 IIADRN Cn1ccc(CN2CCOCC23CCN(c2c(Cl)ccc4ccc(Cl)nc42)CC3)n1 ZINC001164934981 721909554 /nfs/dbraw/zinc/90/95/54/721909554.db2.gz BFTFTXRSAZIRNR-UHFFFAOYSA-N 0 0 446.382 4.147 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1ccc(Cl)c(Cl)n1)C2 ZINC001164936320 721910618 /nfs/dbraw/zinc/91/06/18/721910618.db2.gz VPCOMTOQTPWCTG-RISCZKNCSA-N 0 0 430.257 4.423 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)Sc1ccc(Cl)nc1)C2 ZINC001164938591 721911015 /nfs/dbraw/zinc/91/10/15/721911015.db2.gz GJKYXRYGSZDCJY-DOMZBBRYSA-N 0 0 427.879 4.363 20 0 IIADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001164937856 721915999 /nfs/dbraw/zinc/91/59/99/721915999.db2.gz GGCUOTJPZHBZMY-UHFFFAOYSA-N 0 0 446.933 4.400 20 0 IIADRN Fc1ccccc1-c1cc(C(F)(F)N2CCN(C[C@@H]3CCCO3)CC2)cnc1Cl ZINC001165043311 721922471 /nfs/dbraw/zinc/92/24/71/721922471.db2.gz IURICRUEXXYBMW-INIZCTEOSA-N 0 0 425.882 4.387 20 0 IIADRN COc1cccc(-c2cc(C(F)(F)N3CCN(C[C@@H]4CCCO4)CC3)cnc2Cl)c1 ZINC001165044975 721926663 /nfs/dbraw/zinc/92/66/63/721926663.db2.gz XRDHDOHTPURXSZ-IBGZPJMESA-N 0 0 437.918 4.257 20 0 IIADRN COc1cccc(-c2cc(C(F)(F)N3CCN(C[C@H]4CCCO4)CC3)cnc2Cl)c1 ZINC001165044979 721926903 /nfs/dbraw/zinc/92/69/03/721926903.db2.gz XRDHDOHTPURXSZ-LJQANCHMSA-N 0 0 437.918 4.257 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncnc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164943220 721940458 /nfs/dbraw/zinc/94/04/58/721940458.db2.gz ONONIVRIEVDEKC-NHCUHLMSSA-N 0 0 447.564 4.053 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(SCc4ccccc4)ccn3)C[C@H]21 ZINC001164942674 721958674 /nfs/dbraw/zinc/95/86/74/721958674.db2.gz FOEQUQZCAXVSHR-DHIUTWEWSA-N 0 0 436.581 4.068 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(SCc4ccccc4)ccn3)C[C@@H]21 ZINC001164942693 721958744 /nfs/dbraw/zinc/95/87/44/721958744.db2.gz FOEQUQZCAXVSHR-XZOQPEGZSA-N 0 0 436.581 4.068 20 0 IIADRN c1cncc([C@H]2CCCCN2c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC001165047652 721963725 /nfs/dbraw/zinc/96/37/25/721963725.db2.gz WPKCAKLPJSHEQQ-LJQANCHMSA-N 0 0 435.597 4.139 20 0 IIADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3nc(C)c(C)c(Cl)n3)C[C@@H]12 ZINC001164949478 721966632 /nfs/dbraw/zinc/96/66/32/721966632.db2.gz YCEQTOSTQUTETO-NQIIRXRSSA-N 0 0 434.918 4.061 20 0 IIADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N(CCC(=O)OC)Cc2ccco2)n1 ZINC001165050826 721982592 /nfs/dbraw/zinc/98/25/92/721982592.db2.gz WZGFNPIZOSKQEQ-UHFFFAOYSA-N 0 0 430.574 4.313 20 0 IIADRN CC(C)(C)OC(=O)[C@H]1CCCN(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)C1 ZINC001165051543 721992592 /nfs/dbraw/zinc/99/25/92/721992592.db2.gz INRLBEPMZKPZED-SFHVURJKSA-N 0 0 442.991 4.246 20 0 IIADRN COc1cc(C(F)(F)N2C[C@@H]3Cc4c(c(-c5ccccc5)nn4C)[C@@H]3C2)cc(Cl)n1 ZINC001164953041 722003511 /nfs/dbraw/zinc/00/35/11/722003511.db2.gz ONURIVDLWXWFMC-GOEBONIOSA-N 0 0 430.886 4.465 20 0 IIADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1nc(C)c(C)c(Cl)n1)C2 ZINC001164952660 722006174 /nfs/dbraw/zinc/00/61/74/722006174.db2.gz OLQNMBKYGNGJER-UHFFFAOYSA-N 0 0 444.917 4.417 20 0 IIADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCN(CCc2ccccn2)CC1 ZINC001165055367 722013877 /nfs/dbraw/zinc/01/38/77/722013877.db2.gz GWRDBPOQPLRNGV-UHFFFAOYSA-N 0 0 438.309 4.241 20 0 IIADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN([C@H](F)Oc2ccnc(Cl)c2)C3)n1 ZINC001164964011 722026426 /nfs/dbraw/zinc/02/64/26/722026426.db2.gz UYTXENGGRREZKC-ILWGZMRPSA-N 0 0 435.927 4.158 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cc(Cl)cnc1Cl ZINC001164960583 722028184 /nfs/dbraw/zinc/02/81/84/722028184.db2.gz LAFUVQYGGVKHFF-RRFJBIMHSA-N 0 0 434.245 4.283 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1ccc(Cl)c(Cl)n1 ZINC001164959850 722028705 /nfs/dbraw/zinc/02/87/05/722028705.db2.gz SLOQDBOZVGHXEN-NFAWXSAZSA-N 0 0 434.245 4.283 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)c1 ZINC001164960895 722029453 /nfs/dbraw/zinc/02/94/53/722029453.db2.gz UYGBWQUOLZRIGQ-XHSDSOJGSA-N 0 0 445.894 4.351 20 0 IIADRN O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164963104 722033959 /nfs/dbraw/zinc/03/39/59/722033959.db2.gz ZTLFOYFPASFQTO-GCJKJVERSA-N 0 0 442.897 4.361 20 0 IIADRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4nc(Cl)ncc4Cl)C3)CC2=O)s1 ZINC001164964881 722043795 /nfs/dbraw/zinc/04/37/95/722043795.db2.gz VXKIUKBBNFFYGH-INIZCTEOSA-N 0 0 433.311 4.332 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C[C@@H]21 ZINC001164959214 722046739 /nfs/dbraw/zinc/04/67/39/722046739.db2.gz PYUQRCYDMZLHMN-QAPCUYQASA-N 0 0 444.869 4.286 20 0 IIADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCc2onc(Cn3cccn3)c2C1 ZINC001164958218 722050300 /nfs/dbraw/zinc/05/03/00/722050300.db2.gz DZCUOWKJRDUJBY-UHFFFAOYSA-N 0 0 442.857 4.137 20 0 IIADRN O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001164966141 722064374 /nfs/dbraw/zinc/06/43/74/722064374.db2.gz OQQWRPFDNJLMKG-IRXDYDNUSA-N 0 0 434.899 4.383 20 0 IIADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C[C@H]2C1 ZINC001164975635 722085730 /nfs/dbraw/zinc/08/57/30/722085730.db2.gz TXGWCPMKEFHQEF-IAGOWNOFSA-N 0 0 446.929 4.473 20 0 IIADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CC2 ZINC001164974066 722091762 /nfs/dbraw/zinc/09/17/62/722091762.db2.gz MBYWIZPOVLDBLC-HNNXBMFYSA-N 0 0 449.933 4.136 20 0 IIADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C2)c2ccccc2N(C)C3=O)n1 ZINC001164980578 722162427 /nfs/dbraw/zinc/16/24/27/722162427.db2.gz NMIMOIMOGUDEEV-RUZDIDTESA-N 0 0 449.624 4.274 20 0 IIADRN COc1nnc(Cl)cc1C(F)(F)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164977004 722166066 /nfs/dbraw/zinc/16/60/66/722166066.db2.gz MGDAJMXGPLYNJE-HNAYVOBHSA-N 0 0 431.911 4.018 20 0 IIADRN NC(=O)c1ccc(C(F)(F)N2C[C@H]3[C@H](C2)c2ccccc2[C@H]3OCC2CC2)nc1Cl ZINC001164975369 722170487 /nfs/dbraw/zinc/17/04/87/722170487.db2.gz HZTCJTSKOTWGDE-ZIFCJYIRSA-N 0 0 433.886 4.080 20 0 IIADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001164980467 722172363 /nfs/dbraw/zinc/17/23/63/722172363.db2.gz YIUFNRYFBLWWDE-UHFFFAOYSA-N 0 0 426.939 4.451 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cc(C)nc(Cl)c4)CC[C@H]32)cs1 ZINC001164986857 722175043 /nfs/dbraw/zinc/17/50/43/722175043.db2.gz LVZNWSPQRCAYGJ-QZTJIDSGSA-N 0 0 442.963 4.223 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5c(F)cccc54)CC[C@@H]32)cs1 ZINC001164985848 722180697 /nfs/dbraw/zinc/18/06/97/722180697.db2.gz BXGIEMHBDHDQII-ROUUACIJSA-N 0 0 447.967 4.057 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(F)c4)CC[C@@H]32)cs1 ZINC001164985961 722180846 /nfs/dbraw/zinc/18/08/46/722180846.db2.gz CTOLBZBFDQCGDV-DLBZAZTESA-N 0 0 446.926 4.054 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nnc(Cl)c5cccc(C)c54)CC[C@@H]32)cs1 ZINC001164993865 722181168 /nfs/dbraw/zinc/18/11/68/722181168.db2.gz XICPAMLTXBTVQH-RBUKOAKNSA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4ccc(C)c(Cl)n4)CC[C@@H]32)cs1 ZINC001164994108 722182683 /nfs/dbraw/zinc/18/26/83/722182683.db2.gz YAQJDJXCWSJKMR-DLBZAZTESA-N 0 0 442.963 4.223 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4nc(Cl)ccc4C)CC[C@H]32)cs1 ZINC001164994502 722183853 /nfs/dbraw/zinc/18/38/53/722183853.db2.gz YXFIRNIWEQJWOX-SJORKVTESA-N 0 0 442.963 4.223 20 0 IIADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)[C@@H]2C1 ZINC001164996995 722215673 /nfs/dbraw/zinc/21/56/73/722215673.db2.gz PPGDEPMTCUHINJ-ZWKOPEQDSA-N 0 0 442.721 4.095 20 0 IIADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)c1cnc(Cl)nc1)CC2 ZINC001164999460 722221025 /nfs/dbraw/zinc/22/10/25/722221025.db2.gz RMAGLRXTOYZDCA-GOSISDBHSA-N 0 0 432.902 4.255 20 0 IIADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2nc(Cl)c3ccccc3n2)n1 ZINC001165000587 722226124 /nfs/dbraw/zinc/22/61/24/722226124.db2.gz UKIXLLVPFTUQCQ-MRXNPFEDSA-N 0 0 448.905 4.042 20 0 IIADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)Oc2cccc(Cl)n2)CC3)cs1 ZINC001165006323 722272447 /nfs/dbraw/zinc/27/24/47/722272447.db2.gz NLBFLYRELRMGSK-OAHLLOKOSA-N 0 0 445.919 4.269 20 0 IIADRN CC[C@H](C)Oc1ccccc1/C=C/C(=O)N[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123372736 939822678 /nfs/dbraw/zinc/82/26/78/939822678.db2.gz SKYYIAWQWPATDG-FVJYCXJKSA-N 0 0 436.552 4.113 20 0 IIADRN O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000426740141 1126085342 /nfs/dbraw/zinc/08/53/42/1126085342.db2.gz GSYAJTIXGPYNQO-FQEVSTJZSA-N 0 0 438.940 4.435 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000426644307 1126081065 /nfs/dbraw/zinc/08/10/65/1126081065.db2.gz CBZBXZSJFKSLPB-INIZCTEOSA-N 0 0 439.256 4.317 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000426675091 1126081530 /nfs/dbraw/zinc/08/15/30/1126081530.db2.gz PCTKEEUBFVHOLO-LJQANCHMSA-N 0 0 428.414 4.158 20 0 IIADRN O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000426740142 1126085426 /nfs/dbraw/zinc/08/54/26/1126085426.db2.gz GSYAJTIXGPYNQO-HXUWFJFHSA-N 0 0 438.940 4.435 20 0 IIADRN O=C([O-])[C@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000426725831 1126083179 /nfs/dbraw/zinc/08/31/79/1126083179.db2.gz FHJXZIXXACETRO-FQEVSTJZSA-N 0 0 438.940 4.435 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1cc(Br)ccc1Cl ZINC000426726235 1126083338 /nfs/dbraw/zinc/08/33/38/1126083338.db2.gz IDENRSFQLVPBNG-MRXNPFEDSA-N 0 0 440.721 4.049 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1cc(Br)ccc1Cl ZINC000426726234 1126083436 /nfs/dbraw/zinc/08/34/36/1126083436.db2.gz IDENRSFQLVPBNG-INIZCTEOSA-N 0 0 440.721 4.049 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000426730123 1126084051 /nfs/dbraw/zinc/08/40/51/1126084051.db2.gz JQHUVKWYFGZIKN-MRXNPFEDSA-N 0 0 429.822 4.306 20 0 IIADRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000426733572 1126084547 /nfs/dbraw/zinc/08/45/47/1126084547.db2.gz YQLDKTSXAQJNGT-CYBMUJFWSA-N 0 0 446.750 4.111 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000426760191 1126088611 /nfs/dbraw/zinc/08/86/11/1126088611.db2.gz QJKCIHIAVSJUJD-SFHVURJKSA-N 0 0 434.721 4.074 20 0 IIADRN Cc1ccc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])cc1Br ZINC000426763938 1126089035 /nfs/dbraw/zinc/08/90/35/1126089035.db2.gz URZQKNLSGSGKJW-MRXNPFEDSA-N 0 0 427.136 4.306 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000426773167 1126089651 /nfs/dbraw/zinc/08/96/51/1126089651.db2.gz NRXGIAVPOBUJRM-FQEVSTJZSA-N 0 0 427.403 4.271 20 0 IIADRN O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1cc(Br)ccc1Cl ZINC000426794525 1126090894 /nfs/dbraw/zinc/09/08/94/1126090894.db2.gz UWRJFAZOXQVRSD-HNNXBMFYSA-N 0 0 434.664 4.489 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000426746852 1126086608 /nfs/dbraw/zinc/08/66/08/1126086608.db2.gz LAMZJZWAFQLTKY-OAQYLSRUSA-N 0 0 441.325 4.209 20 0 IIADRN CCOc1ccc(C[NH2+][C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cc1OC ZINC000426752076 1126087515 /nfs/dbraw/zinc/08/75/15/1126087515.db2.gz AVNMPISGYHCWTJ-KRWDZBQOSA-N 0 0 447.329 4.123 20 0 IIADRN COc1ccc2oc(C[NH2+][C@@H](Cc3c[nH]c4ccc(Br)cc34)C(=O)[O-])cc2c1 ZINC000426803199 1126091320 /nfs/dbraw/zinc/09/13/20/1126091320.db2.gz LCDYBUQIPAOBIH-IBGZPJMESA-N 0 0 443.297 4.471 20 0 IIADRN CCn1c(C[NH2+][C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])nc2ccccc21 ZINC000521247134 1126095873 /nfs/dbraw/zinc/09/58/73/1126095873.db2.gz GXMNAMQKTCRNFL-SFHVURJKSA-N 0 0 441.329 4.086 20 0 IIADRN NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@@H]2c2c[nH]c3c2cccc3Cl)cc1 ZINC000029059563 563073701 /nfs/dbraw/zinc/07/37/01/563073701.db2.gz NDGPUMDPTVGJCG-OAHLLOKOSA-N 0 0 442.850 4.338 20 0 IIADRN COC(=O)[C@]1(C)CCCN1C(F)(F)c1cnc(Cl)nc1-c1cn(C)c2ccccc12 ZINC001164392070 718804961 /nfs/dbraw/zinc/80/49/61/718804961.db2.gz XPNWLWNRPQDIAE-FQEVSTJZSA-N 0 0 434.874 4.366 20 0 IIADRN Cc1sc2nc(CN3CCCC3)nc(N3C[C@H]4c5ccccc5NC(=O)[C@H]4C3)c2c1C ZINC001164407582 718858539 /nfs/dbraw/zinc/85/85/39/718858539.db2.gz YZEZLNZTOWJIDU-ROUUACIJSA-N 0 0 433.581 4.076 20 0 IIADRN FC(F)(c1ccc(Cl)nc1)N1CCO[C@@H](c2ncn3c2cccc3Br)C1 ZINC001164420360 718889458 /nfs/dbraw/zinc/88/94/58/718889458.db2.gz UQMHXHSWMUDMLK-CYBMUJFWSA-N 0 0 443.679 4.268 20 0 IIADRN FC(F)(c1ccnc(Cl)c1)N1CCO[C@@H](c2ncn3c2cccc3Br)C1 ZINC001164416247 718889469 /nfs/dbraw/zinc/88/94/69/718889469.db2.gz CICNBAXGNMKOGA-CYBMUJFWSA-N 0 0 443.679 4.268 20 0 IIADRN CC(C)(c1ccnc(Cl)c1)N1CCO[C@@H](c2ncn3c2cccc3Br)C1 ZINC001164419980 718891178 /nfs/dbraw/zinc/89/11/78/718891178.db2.gz SQCBKJBUYDSZLY-OAHLLOKOSA-N 0 0 435.753 4.454 20 0 IIADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2C[C@H]3OCC(F)(F)[C@H]3C2)cc1 ZINC001164424302 718927596 /nfs/dbraw/zinc/92/75/96/718927596.db2.gz MVXZRALVOAAMLY-LSDHHAIUSA-N 0 0 444.812 4.204 20 0 IIADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164648511 719292037 /nfs/dbraw/zinc/29/20/37/719292037.db2.gz UQPMDKOXKHULNS-QRVBRYPASA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164650681 719293120 /nfs/dbraw/zinc/29/31/20/719293120.db2.gz ZYCPFXLMPQOUAP-AABGKKOBSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(Sc1ccc(Cl)nc1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164651688 719295295 /nfs/dbraw/zinc/29/52/95/719295295.db2.gz MCWPGKLXUHXOHB-JZXOWHBKSA-N 0 0 427.904 4.221 20 0 IIADRN FC(F)(Sc1ccc(Cl)nc1)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164651686 719295375 /nfs/dbraw/zinc/29/53/75/719295375.db2.gz MCWPGKLXUHXOHB-BQFCYCMXSA-N 0 0 427.904 4.221 20 0 IIADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164656905 719295485 /nfs/dbraw/zinc/29/54/85/719295485.db2.gz ZFZGJHQPJZXOFL-DAYGRLMNSA-N 0 0 446.281 4.161 20 0 IIADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc(-c5cc(Cl)ncn5)cc4)C[C@@H]3O2)n1 ZINC001164656736 719298333 /nfs/dbraw/zinc/29/83/33/719298333.db2.gz YLCASIDQMUNSHC-WBAXXEDZSA-N 0 0 447.873 4.390 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1ccc3ncc(Cl)nc3c1)CC2 ZINC001164649066 719308419 /nfs/dbraw/zinc/30/84/19/719308419.db2.gz TVKUTMWWYAAVQF-UHFFFAOYSA-N 0 0 434.922 4.230 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)CC2 ZINC001164652946 719313972 /nfs/dbraw/zinc/31/39/72/719313972.db2.gz VBCJISGJZYSEOI-UHFFFAOYSA-N 0 0 442.567 4.127 20 0 IIADRN F[C@@H](c1ccnc(Cl)c1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164656240 719322984 /nfs/dbraw/zinc/32/29/84/719322984.db2.gz VKPJEKYQVBCPNJ-JOCHJYFZSA-N 0 0 427.911 4.342 20 0 IIADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)C[C@@H]2CCCO[C@H]12 ZINC001164655564 719325441 /nfs/dbraw/zinc/32/54/41/719325441.db2.gz QSWGPEHJDSYGBX-DLVCFXQMSA-N 0 0 449.929 4.333 20 0 IIADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCO[C@H]2[C@H]1CC[C@@H]2OCC1CCCC1 ZINC001164663192 719343038 /nfs/dbraw/zinc/34/30/38/719343038.db2.gz VZBFWHXYOBZIJR-GJYPPUQNSA-N 0 0 444.906 4.010 20 0 IIADRN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCC1CCCC1 ZINC001164663238 719343736 /nfs/dbraw/zinc/34/37/36/719343736.db2.gz XFPGIKNFQJJTTH-AOIWGVFYSA-N 0 0 438.906 4.166 20 0 IIADRN FC(F)(c1c2c(nnc1Cl)CCC2)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001164659384 719343959 /nfs/dbraw/zinc/34/39/59/719343959.db2.gz BXJLQFDHSZFWDP-SCTDSRPQSA-N 0 0 427.923 4.107 20 0 IIADRN FC(F)(c1c2c(nnc1Cl)CCC2)N1CCO[C@@H]2[C@@H](OCC3CCCC3)CC[C@@H]21 ZINC001164659382 719344176 /nfs/dbraw/zinc/34/41/76/719344176.db2.gz BXJLQFDHSZFWDP-LNLFQRSKSA-N 0 0 427.923 4.107 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3[nH]c(C)c(C)c31)CC2 ZINC001164658996 719350682 /nfs/dbraw/zinc/35/06/82/719350682.db2.gz PDFRJVVWQXQNDU-UHFFFAOYSA-N 0 0 441.583 4.269 20 0 IIADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1nc(Cl)ccc1C)CC2 ZINC001164665362 719359815 /nfs/dbraw/zinc/35/98/15/719359815.db2.gz VICNGGRCCOTBJO-UHFFFAOYSA-N 0 0 428.936 4.132 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2nc(Cl)nc4c2CCCC4)CC3)cc1 ZINC001164673777 719497870 /nfs/dbraw/zinc/49/78/70/719497870.db2.gz RPOGOXOMJLYSTA-UHFFFAOYSA-N 0 0 430.955 4.019 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2nccc(Oc4ccccc4)n2)CC3)cc1 ZINC001164674348 719499582 /nfs/dbraw/zinc/49/95/82/719499582.db2.gz VEIQLURXLNVKIB-UHFFFAOYSA-N 0 0 434.515 4.279 20 0 IIADRN CSc1nc2c(c(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)n1)CCCC2 ZINC001164672282 719505631 /nfs/dbraw/zinc/50/56/31/719505631.db2.gz IGLKNALFOJBRNH-UHFFFAOYSA-N 0 0 442.604 4.088 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2nncc4cc(Cl)ccc42)CC3)cc1 ZINC001164673329 719511244 /nfs/dbraw/zinc/51/12/44/719511244.db2.gz OMGDIRJKZDOWFM-UHFFFAOYSA-N 0 0 426.923 4.294 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2nccnc2Oc2ccccc2)CC3)cc1 ZINC001164678754 719527842 /nfs/dbraw/zinc/52/78/42/719527842.db2.gz NCEVSGSBXHZJAG-UHFFFAOYSA-N 0 0 434.515 4.279 20 0 IIADRN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(C(F)(F)c2ccc3c(ccnc3Cl)c2)C1)N1CCCC1 ZINC001164677871 719544104 /nfs/dbraw/zinc/54/41/04/719544104.db2.gz HRRYOYOODAQRMP-MNEFBYGVSA-N 0 0 435.902 4.039 20 0 IIADRN O=C([C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)CC12CCOCC2)N1CC=CC1 ZINC001164677645 719559106 /nfs/dbraw/zinc/55/91/06/719559106.db2.gz QGHNAVSDXOPETG-SFHVURJKSA-N 0 0 447.913 4.065 20 0 IIADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2ccnc(Cl)c2F)CC3)cs1 ZINC001164683698 719592100 /nfs/dbraw/zinc/59/21/00/719592100.db2.gz HTBWMAHHNFNCIY-UHFFFAOYSA-N 0 0 444.910 4.346 20 0 IIADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2cc(Cl)ncc2F)CC3)cs1 ZINC001164688149 719593648 /nfs/dbraw/zinc/59/36/48/719593648.db2.gz UKAUTHOEDJHMKS-UHFFFAOYSA-N 0 0 444.910 4.346 20 0 IIADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2nc4ccccc4nc2Cl)CC3)cn1 ZINC001164699571 719826408 /nfs/dbraw/zinc/82/64/08/719826408.db2.gz XKRWDMOFCSAMRK-AWEZNQCLSA-N 0 0 433.890 4.105 20 0 IIADRN Cc1noc([C@@]23COC[C@@H]2CN(C(F)(F)c2cnc(Cl)c(C4CCCCC4)c2)C3)n1 ZINC001164810887 720064103 /nfs/dbraw/zinc/06/41/03/720064103.db2.gz MFNXZWQCTBLVIL-JXFKEZNVSA-N 0 0 438.906 4.423 20 0 IIADRN CCO[C@@H]1CN(c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)[C@@H]2CCCO[C@H]12 ZINC001164711556 720065799 /nfs/dbraw/zinc/06/57/99/720065799.db2.gz IKDZGEQQPNPNPX-KNKQGSTJSA-N 0 0 438.597 4.193 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3cccc(OC)c3)nnc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164709937 720066435 /nfs/dbraw/zinc/06/64/35/720066435.db2.gz CDFFIXNZHBDUJF-QRVBRYPASA-N 0 0 439.890 4.123 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3OC)nnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164713656 720066735 /nfs/dbraw/zinc/06/67/35/720066735.db2.gz OLEAJPGOPZLMEF-BHIYHBOVSA-N 0 0 439.890 4.123 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)Sc2ccc(Cl)nc2)cs1 ZINC001164816311 720260730 /nfs/dbraw/zinc/26/07/30/720260730.db2.gz HVRYREZTGMIPMB-GJZGRUSLSA-N 0 0 444.960 4.408 20 0 IIADRN O=C1N(CC2CC2)CC[C@@]12CCCN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164818139 720282524 /nfs/dbraw/zinc/28/25/24/720282524.db2.gz IJEKNGHRJNAEEH-XZOQPEGZSA-N 0 0 444.938 4.153 20 0 IIADRN FC(F)(COc1cncc(Cl)n1)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164831602 720395872 /nfs/dbraw/zinc/39/58/72/720395872.db2.gz WSPRQHRMQLZNKZ-SFHVURJKSA-N 0 0 444.860 4.339 20 0 IIADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3nc(Cl)c4cccc(F)c4n3)O2)n1 ZINC001164829701 720402992 /nfs/dbraw/zinc/40/29/92/720402992.db2.gz OAEDQNABZAFFEG-IHRRRGAJSA-N 0 0 439.825 4.158 20 0 IIADRN COc1ccc2nc(C(F)(F)N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc(Cl)c2c1 ZINC001164730945 720450563 /nfs/dbraw/zinc/45/05/63/720450563.db2.gz JXLKOIVWOOBNHU-RBUKOAKNSA-N 0 0 445.901 4.085 20 0 IIADRN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cccnc2Cl)C3)c1 ZINC001164722423 720490801 /nfs/dbraw/zinc/49/08/01/720490801.db2.gz AILLOFCRJOXZRL-YWZLYKJASA-N 0 0 441.881 4.143 20 0 IIADRN Cc1sc2nc(CN3CCCCC3)nc(N3CC[C@@H](O)[C@H]3Cc3ccccc3)c2c1C ZINC001164834506 720492013 /nfs/dbraw/zinc/49/20/13/720492013.db2.gz SUYWPKSRWRQMJT-NHCUHLMSSA-N 0 0 436.625 4.476 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3Cl)CC[C@@H]21)N1CCCCC1 ZINC001164832617 720498469 /nfs/dbraw/zinc/49/84/69/720498469.db2.gz KFLSRJOAFARHGS-DZKIICNBSA-N 0 0 448.341 4.177 20 0 IIADRN Fc1cnc(Cl)cc1C(F)(F)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164733169 720538465 /nfs/dbraw/zinc/53/84/65/720538465.db2.gz BRMQGDVKRXZZIK-KUHUBIRLSA-N 0 0 427.854 4.269 20 0 IIADRN O=C1CCCC2(CCN(C(F)(F)Oc3ccc4nc(Cl)c(Cl)nc4c3)CC2)N1 ZINC001164837373 720731880 /nfs/dbraw/zinc/73/18/80/720731880.db2.gz IMZFFLSXJNJUJX-UHFFFAOYSA-N 0 0 431.270 4.000 20 0 IIADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(CCCC(=O)N3)CC2)n1 ZINC001164838866 720732985 /nfs/dbraw/zinc/73/29/85/720732985.db2.gz YOZCXHBOPJNHOE-UHFFFAOYSA-N 0 0 435.597 4.059 20 0 IIADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164844826 720775298 /nfs/dbraw/zinc/77/52/98/720775298.db2.gz DECXSSUDIIDPOU-KSZLIROESA-N 0 0 448.901 4.499 20 0 IIADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3OCCC[C@]3(COC)C2)n1 ZINC001164847022 720827685 /nfs/dbraw/zinc/82/76/85/720827685.db2.gz HPMBBNWMFDOFNJ-FDDCHVKYSA-N 0 0 432.634 4.172 20 0 IIADRN COC[C@@]12CCCO[C@H]1CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164847921 720828209 /nfs/dbraw/zinc/82/82/09/720828209.db2.gz KXXFEJPQMMKFTC-WMZOPIPTSA-N 0 0 429.920 4.425 20 0 IIADRN COC[C@]12CCCO[C@H]1CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164847919 720828216 /nfs/dbraw/zinc/82/82/16/720828216.db2.gz KXXFEJPQMMKFTC-FUHWJXTLSA-N 0 0 429.920 4.425 20 0 IIADRN COC[C@@]12CCCO[C@@H]1CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164847918 720828308 /nfs/dbraw/zinc/82/83/08/720828308.db2.gz KXXFEJPQMMKFTC-AEFFLSMTSA-N 0 0 429.920 4.425 20 0 IIADRN FC(F)(c1cnc(Cl)nc1Cl)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164761830 721025646 /nfs/dbraw/zinc/02/56/46/721025646.db2.gz UQWHRAIKOXOJCA-KBXCAEBGSA-N 0 0 445.297 4.068 20 0 IIADRN FC(F)(c1nc(Cl)ncc1Cl)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164769249 721027720 /nfs/dbraw/zinc/02/77/20/721027720.db2.gz VWLASBBRUOTGKR-KSSFIOAISA-N 0 0 445.297 4.068 20 0 IIADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001164864377 721034303 /nfs/dbraw/zinc/03/43/03/721034303.db2.gz YZCJRXLPVJBUTI-UHFFFAOYSA-N 0 0 446.933 4.053 20 0 IIADRN CCn1nnc2c1CCN(C(F)(F)Oc1ccc(Cl)nc1)[C@@H]2COCc1ccccc1 ZINC001164770931 721048072 /nfs/dbraw/zinc/04/80/72/721048072.db2.gz LKEROHGFLNWAHP-GOSISDBHSA-N 0 0 449.889 4.092 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)c(Cl)n2)n1 ZINC001164765925 721052673 /nfs/dbraw/zinc/05/26/73/721052673.db2.gz DURVJPJDCFMADC-CABCVRRESA-N 0 0 427.282 4.017 20 0 IIADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164870071 721216737 /nfs/dbraw/zinc/21/67/37/721216737.db2.gz FBYJRWRLAJBAMT-UHFFFAOYSA-N 0 0 429.298 4.204 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C[C@H]32)N=C1C ZINC001164871652 721228954 /nfs/dbraw/zinc/22/89/54/721228954.db2.gz KFZSREYEPIOXOR-RRMPHLOHSA-N 0 0 432.902 4.299 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cccc5ccnc(Cl)c54)C[C@@H]32)N=C1C ZINC001164870191 721230496 /nfs/dbraw/zinc/23/04/96/721230496.db2.gz GGNDYTOAOIQQQS-LDBYXDLTSA-N 0 0 432.902 4.299 20 0 IIADRN O=C(N1CCCC1)C12CC(C1)CN2C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164876227 721238595 /nfs/dbraw/zinc/23/85/95/721238595.db2.gz YSRIYBUHJKVQNZ-UHFFFAOYSA-N 0 0 436.865 4.072 20 0 IIADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164872836 721245696 /nfs/dbraw/zinc/24/56/96/721245696.db2.gz GGSJFXMEFJSPHM-LZQZEXGQSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1cc(Cl)cnc1Cl)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164766107 721271935 /nfs/dbraw/zinc/27/19/35/721271935.db2.gz NBBXIEMTJNRWCJ-ZDUSSCGKSA-N 0 0 440.281 4.240 20 0 IIADRN Cc1ccc(C(F)(F)N2CC[C@H]3CN(C(=O)c4ccsc4)CCO[C@H]3C2)nc1Cl ZINC001164877321 721297172 /nfs/dbraw/zinc/29/71/72/721297172.db2.gz MKSTXIVFVMTBCW-HOCLYGCPSA-N 0 0 441.931 4.017 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164879896 721315887 /nfs/dbraw/zinc/31/58/87/721315887.db2.gz UGQKXGWOTUUUCS-HNNXBMFYSA-N 0 0 426.294 4.434 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164878572 721316635 /nfs/dbraw/zinc/31/66/35/721316635.db2.gz PBRCDOIHCVMAOU-HNNXBMFYSA-N 0 0 426.294 4.434 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)CC2 ZINC001164880800 721316729 /nfs/dbraw/zinc/31/67/29/721316729.db2.gz ZQQYWAAUTGURCL-QGZVFWFLSA-N 0 0 442.897 4.328 20 0 IIADRN CCN1CC[C@@]2(CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C[C@@H]2C)C1=O ZINC001164777240 721321342 /nfs/dbraw/zinc/32/13/42/721321342.db2.gz JBTDPZZVXAJIRI-SGTLLEGYSA-N 0 0 426.920 4.098 20 0 IIADRN Fc1ccc(C(F)(F)N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)nc1Cl ZINC001164779585 721325113 /nfs/dbraw/zinc/32/51/13/721325113.db2.gz ZGGCQCOKQPMNGQ-LBPRGKRZSA-N 0 0 431.817 4.160 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001164876737 721328981 /nfs/dbraw/zinc/32/89/81/721328981.db2.gz PSIHODZIPZXXEL-UHFFFAOYSA-N 0 0 426.920 4.178 20 0 IIADRN CSc1ccnc(Cl)c1N1CCC[C@@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC001164780102 721356497 /nfs/dbraw/zinc/35/64/97/721356497.db2.gz DGYMDKMCCLSIQO-OAQYLSRUSA-N 0 0 437.009 4.181 20 0 IIADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(-c3ccncc3)n2)N1c1ccsc1 ZINC001164882587 721358041 /nfs/dbraw/zinc/35/80/41/721358041.db2.gz JYZNTRKNVKYELC-LSDHHAIUSA-N 0 0 447.898 4.183 20 0 IIADRN COCCN1CCN(C(F)(F)c2cnc(Cl)c(-c3ccco3)c2)Cc2cccnc21 ZINC001164885518 721370080 /nfs/dbraw/zinc/37/00/80/721370080.db2.gz JIIYLGASVWOPCA-UHFFFAOYSA-N 0 0 434.874 4.408 20 0 IIADRN CS(=O)(=O)N1CCCC[C@@]12CCCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001164887315 721375310 /nfs/dbraw/zinc/37/53/10/721375310.db2.gz QIPDSCROZMZHPB-IBGZPJMESA-N 0 0 443.947 4.218 20 0 IIADRN Fc1ccc(C(F)(F)N2CCO[C@@]3(CCC[C@H]3COCc3ccncc3)C2)nc1Cl ZINC001164784537 721383354 /nfs/dbraw/zinc/38/33/54/721383354.db2.gz PZGOOCWEMNJHMD-JXFKEZNVSA-N 0 0 441.881 4.406 20 0 IIADRN FC(F)(Oc1ccnc(Cl)c1)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164786986 721386907 /nfs/dbraw/zinc/38/69/07/721386907.db2.gz WLCBTNHVYYJIKL-XLIONFOSSA-N 0 0 439.890 4.147 20 0 IIADRN CSc1ccc(Oc2cc(N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)ncn2)cc1 ZINC001164790193 721421490 /nfs/dbraw/zinc/42/14/90/721421490.db2.gz WNSCMKQCDRXSEY-HZPDHXFCSA-N 0 0 425.583 4.016 20 0 IIADRN Cc1nc(-c2ccccc2Cl)nc(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c1C ZINC001164784123 721432241 /nfs/dbraw/zinc/43/22/41/721432241.db2.gz KOHOPTSBDQWVAE-IRXDYDNUSA-N 0 0 425.989 4.439 20 0 IIADRN Cc1nc(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164787479 721434558 /nfs/dbraw/zinc/43/45/58/721434558.db2.gz RNQWLGPGGIDMII-RTBURBONSA-N 0 0 440.016 4.362 20 0 IIADRN Cc1ccc(C(F)(F)N2CCc3ncn(C)c3[C@H]2COCc2cccnc2)nc1Cl ZINC001164780495 721441504 /nfs/dbraw/zinc/44/15/04/721441504.db2.gz BWVQKYGSJXBHNZ-QGZVFWFLSA-N 0 0 433.890 4.037 20 0 IIADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cc(Cl)ncn2)CCO3)cs1 ZINC001164786388 721442651 /nfs/dbraw/zinc/44/26/51/721442651.db2.gz UXJZEFCFNOXIDK-KDOFPFPSSA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2ccc(Cl)nn2)CCO3)cs1 ZINC001164785090 721443338 /nfs/dbraw/zinc/44/33/38/721443338.db2.gz ROKPLOCWKBXROA-KBXCAEBGSA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4ccc(Cl)nc4)C3)C2=O)cs1 ZINC001164888021 721460487 /nfs/dbraw/zinc/46/04/87/721460487.db2.gz LOQIUUWVUMLDTC-GOSISDBHSA-N 0 0 426.920 4.064 20 0 IIADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4ccnc(Cl)c4F)C3)C2=O)cs1 ZINC001164892025 721460871 /nfs/dbraw/zinc/46/08/71/721460871.db2.gz VUDPHEUXVOLWLQ-SFHVURJKSA-N 0 0 444.910 4.203 20 0 IIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC[C@H]21 ZINC001164891819 721466901 /nfs/dbraw/zinc/46/69/01/721466901.db2.gz OMZIIYFZJUODKO-QFBILLFUSA-N 0 0 434.918 4.425 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC[C@H]21 ZINC001164894684 721467177 /nfs/dbraw/zinc/46/71/77/721467177.db2.gz XQOGDRNXEUWUFH-VQIMIIECSA-N 0 0 434.918 4.425 20 0 IIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)CC[C@H]21 ZINC001164894682 721467336 /nfs/dbraw/zinc/46/73/36/721467336.db2.gz XQOGDRNXEUWUFH-QFBILLFUSA-N 0 0 434.918 4.425 20 0 IIADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3cc(N)cc(Cl)n3)CC2)c2ccc(C)cc21 ZINC001164897662 721492538 /nfs/dbraw/zinc/49/25/38/721492538.db2.gz DREPOHVEXQJVFF-QGZVFWFLSA-N 0 0 449.933 4.083 20 0 IIADRN O=C(Nc1cccnc1Cl)OCC(F)(F)N1C[C@@H]2CCC[C@H](OCC3CC3)[C@@H]2C1 ZINC001164899898 721499207 /nfs/dbraw/zinc/49/92/07/721499207.db2.gz MGRXHDAOAGXIPA-UXLLHSPISA-N 0 0 429.895 4.403 20 0 IIADRN O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CC2 ZINC001164896053 721503763 /nfs/dbraw/zinc/50/37/63/721503763.db2.gz GUWDZLMMXQXWAE-GOSISDBHSA-N 0 0 442.897 4.471 20 0 IIADRN O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1cc3ccccc3nc1Cl)CC2 ZINC001164898008 721504805 /nfs/dbraw/zinc/50/48/05/721504805.db2.gz PLLJDBJQWDGBLC-QGZVFWFLSA-N 0 0 442.897 4.471 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164810568 721529316 /nfs/dbraw/zinc/52/93/16/721529316.db2.gz XHPPJAHDIUQPHD-JFIYKMOQSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164809014 721531747 /nfs/dbraw/zinc/53/17/47/721531747.db2.gz TZGYPJMUVHABKD-SCTDSRPQSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CCCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164806291 721589174 /nfs/dbraw/zinc/58/91/74/721589174.db2.gz MUNOCBFQZKPDCG-XPNTWCBSSA-N 0 0 442.007 4.441 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)Sc2ccc(Cl)nc2)[C@H]2CCCO[C@@H]12 ZINC001164805813 721590231 /nfs/dbraw/zinc/59/02/31/721590231.db2.gz LXYBRPINQOUPJJ-YQVWRLOYSA-N 0 0 440.947 4.136 20 0 IIADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)c2nc4[nH]cnc4c(Cl)n2)C3)c1 ZINC001164802877 721601521 /nfs/dbraw/zinc/60/15/21/721601521.db2.gz STFHCLRPZKJFBP-QRWLVFNGSA-N 0 0 448.905 4.030 20 0 IIADRN CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001165008228 721708747 /nfs/dbraw/zinc/70/87/47/721708747.db2.gz CUHPBWYGMTYUGP-UHFFFAOYSA-N 0 0 434.922 4.275 20 0 IIADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(-c3ccsc3)nc3ccccc31)C2 ZINC001165008634 721713566 /nfs/dbraw/zinc/71/35/66/721713566.db2.gz JQAVKZNZHCGTMN-UHFFFAOYSA-N 0 0 433.585 4.200 20 0 IIADRN COc1ccc(-c2ccc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)nn2)cc1 ZINC001164910625 721760890 /nfs/dbraw/zinc/76/08/90/721760890.db2.gz JNGIKCKFGOGWRC-UHFFFAOYSA-N 0 0 441.535 4.335 20 0 IIADRN COc1ccccc1-c1ccnc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)n1 ZINC001164911153 721761697 /nfs/dbraw/zinc/76/16/97/721761697.db2.gz NHNRZVYEFOCNBI-UHFFFAOYSA-N 0 0 441.535 4.335 20 0 IIADRN Cc1cc(C(F)(F)N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c(Cl)nn1 ZINC001164910448 721761868 /nfs/dbraw/zinc/76/18/68/721761868.db2.gz GAOYCXGOUKMSBF-UHFFFAOYSA-N 0 0 433.890 4.166 20 0 IIADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1C[C@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001165016356 721762523 /nfs/dbraw/zinc/76/25/23/721762523.db2.gz WGBYHABVIWUGAU-MAZHCROVSA-N 0 0 430.282 4.112 20 0 IIADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1C[C@H](OCC2CC2)[C@H]2COC[C@@H]21 ZINC001165016572 721764166 /nfs/dbraw/zinc/76/41/66/721764166.db2.gz XXZABDAYUIKUDB-RCBQFDQVSA-N 0 0 427.904 4.034 20 0 IIADRN Fc1ccccc1-c1cc(C(F)(F)N2C[C@H](OCC3CC3)[C@H]3COC[C@H]32)c(Cl)nn1 ZINC001165015206 721764973 /nfs/dbraw/zinc/76/49/73/721764973.db2.gz NTDFZGUTLUDALG-KYNGSXCRSA-N 0 0 439.865 4.111 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(C3CCC3)nc3[nH]ccc31)C2 ZINC001164912143 721766449 /nfs/dbraw/zinc/76/64/49/721766449.db2.gz SYGNBXBPBUAKBS-UHFFFAOYSA-N 0 0 428.540 4.408 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1nc2ccsc2c(Cl)n1 ZINC001165014528 721769711 /nfs/dbraw/zinc/76/97/11/721769711.db2.gz DEQZBZFOIIRIDJ-AAEUAGOBSA-N 0 0 438.887 4.224 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2CCCN(C(F)(F)c3nc4ccccc4nc3Cl)[C@H]2C1 ZINC001165014216 721771119 /nfs/dbraw/zinc/77/11/19/721771119.db2.gz AZBWCEBUGLSBOS-CJNGLKHVSA-N 0 0 432.858 4.162 20 0 IIADRN O=C1[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@@H]2CN1c1cccnc1 ZINC001165024179 721790033 /nfs/dbraw/zinc/79/00/33/721790033.db2.gz QVSDZROMSZWXMF-XLIONFOSSA-N 0 0 440.881 4.441 20 0 IIADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164915859 721805077 /nfs/dbraw/zinc/80/50/77/721805077.db2.gz LSXJXWNUIHEOQW-UZLBHIALSA-N 0 0 432.858 4.040 20 0 IIADRN Fc1cc(C(F)(F)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)cnc1Cl ZINC001164918570 721809879 /nfs/dbraw/zinc/80/98/79/721809879.db2.gz RNWHXPUIMQFDSO-DJSGYFEHSA-N 0 0 433.883 4.076 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2cccc3c(Cl)nccc32)CC1 ZINC001164917282 721817459 /nfs/dbraw/zinc/81/74/59/721817459.db2.gz GEVGTTHDDSXMDD-UHFFFAOYSA-N 0 0 431.918 4.379 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(C)nc3sc4c(c32)CCCCC4)CC1 ZINC001164917832 721819522 /nfs/dbraw/zinc/81/95/22/721819522.db2.gz IXJASSQLVYVRTE-UHFFFAOYSA-N 0 0 436.629 4.215 20 0 IIADRN CCOC(=O)C1(F)CCN(c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001165016119 721834950 /nfs/dbraw/zinc/83/49/50/721834950.db2.gz CFWGTIJZVGQCML-UHFFFAOYSA-N 0 0 446.592 4.038 20 0 IIADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2nc(C)cc(Cl)n2)CC1 ZINC001165022205 721838028 /nfs/dbraw/zinc/83/80/28/721838028.db2.gz QFFSRIYGRFUMAX-UHFFFAOYSA-N 0 0 440.922 4.101 20 0 IIADRN FC(F)(c1cccc2ccnc(Cl)c21)N1C[C@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001164923828 721839509 /nfs/dbraw/zinc/83/95/09/721839509.db2.gz KKXYMDRBQGCSLD-JTSKRJEESA-N 0 0 445.897 4.498 20 0 IIADRN O=C(C1=CC2(CCN(C(F)(F)c3nccnc3Cl)CC2)c2ccccc21)N1CCCC1 ZINC001164926503 721899659 /nfs/dbraw/zinc/89/96/59/721899659.db2.gz BTIFFICVYZJCDP-UHFFFAOYSA-N 0 0 444.913 4.233 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1ccc3ncc(Cl)nc3c1)C2 ZINC001164935775 721910719 /nfs/dbraw/zinc/91/07/19/721910719.db2.gz OUZMLFCPARTEST-DYVFJYSZSA-N 0 0 446.860 4.318 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C[C@H]21 ZINC001164946465 721943159 /nfs/dbraw/zinc/94/31/59/721943159.db2.gz VTIMXWSQPRPIEE-WOJBJXKFSA-N 0 0 448.901 4.128 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C[C@@H]21 ZINC001164946464 721943308 /nfs/dbraw/zinc/94/33/08/721943308.db2.gz VTIMXWSQPRPIEE-VQTJNVASSA-N 0 0 448.901 4.128 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3c(Cl)ccc4ccc(Cl)nc43)C[C@H]21 ZINC001164948404 721962340 /nfs/dbraw/zinc/96/23/40/721962340.db2.gz UPHMNBLKUQTIOC-QZTJIDSGSA-N 0 0 433.339 4.236 20 0 IIADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)C[C@H]21 ZINC001164954576 722005267 /nfs/dbraw/zinc/00/52/67/722005267.db2.gz YXAFPRBRURMENQ-KBPBESRZSA-N 0 0 440.885 4.333 20 0 IIADRN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1cc(Cl)nc(C)n1)C2 ZINC001164952074 722006261 /nfs/dbraw/zinc/00/62/61/722006261.db2.gz KDYAEWMYBMTLOD-UHFFFAOYSA-N 0 0 430.890 4.109 20 0 IIADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN([C@@H](F)Oc2cccc(Cl)n2)C3)n1 ZINC001164962746 722026455 /nfs/dbraw/zinc/02/64/55/722026455.db2.gz RUBGMSBOSNOBEA-VLCRHTCISA-N 0 0 435.927 4.158 20 0 IIADRN O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)C2 ZINC001164961469 722034946 /nfs/dbraw/zinc/03/49/46/722034946.db2.gz VVHSHEHHLDCIIU-DENIHFKCSA-N 0 0 442.897 4.361 20 0 IIADRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C3)CC2=O)s1 ZINC001164964308 722044388 /nfs/dbraw/zinc/04/43/88/722044388.db2.gz UCMOUAGUGRWXLQ-GOSISDBHSA-N 0 0 437.903 4.160 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C[C@@H]21 ZINC001164959218 722049633 /nfs/dbraw/zinc/04/96/33/722049633.db2.gz QBWHWVORIYBQIX-BBRMVZONSA-N 0 0 433.842 4.484 20 0 IIADRN FC(F)(c1cnc(Cl)nc1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164961353 722049659 /nfs/dbraw/zinc/04/96/59/722049659.db2.gz YWDGAWYXYKTRON-UHFFFAOYSA-N 0 0 441.873 4.164 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN([C@@H](F)Oc2cccc(Cl)n2)[C@H]3C)c1 ZINC001164966469 722063162 /nfs/dbraw/zinc/06/31/62/722063162.db2.gz UOFGBHLARAULPW-YCRPNKLZSA-N 0 0 431.899 4.060 20 0 IIADRN O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccc2ccnc(Cl)c2c1 ZINC001164966646 722064280 /nfs/dbraw/zinc/06/42/80/722064280.db2.gz WKTWEJMVJGXSIU-IAGOWNOFSA-N 0 0 434.899 4.383 20 0 IIADRN Cc1cc(C(F)(F)N2CCc3nc(C(=O)NCC(C)C)sc3CC2)cc(Cl)n1 ZINC001164965731 722066198 /nfs/dbraw/zinc/06/61/98/722066198.db2.gz KVHOUMCZXKFPAU-UHFFFAOYSA-N 0 0 428.936 4.036 20 0 IIADRN CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164965829 722066237 /nfs/dbraw/zinc/06/62/37/722066237.db2.gz PHAIQUCDQOVEPW-UHFFFAOYSA-N 0 0 449.354 4.381 20 0 IIADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001164967721 722078419 /nfs/dbraw/zinc/07/84/19/722078419.db2.gz KNZGZUKKPQRVFW-UHFFFAOYSA-N 0 0 430.886 4.220 20 0 IIADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164967900 722078666 /nfs/dbraw/zinc/07/86/66/722078666.db2.gz MNUDTRZNQSPEIC-UHFFFAOYSA-N 0 0 431.914 4.314 20 0 IIADRN O=C1NCc2ccccc2CC12CCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)CC2 ZINC001164967870 722078668 /nfs/dbraw/zinc/07/86/68/722078668.db2.gz LRGYDHPQHPDJCM-UHFFFAOYSA-N 0 0 440.758 4.157 20 0 IIADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164969279 722082987 /nfs/dbraw/zinc/08/29/87/722082987.db2.gz MAZNYCOJMMZWNU-UHFFFAOYSA-N 0 0 431.830 4.286 20 0 IIADRN O=C(NC1CCC1)C1C[C@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]2C1 ZINC001164970057 722085708 /nfs/dbraw/zinc/08/57/08/722085708.db2.gz BZWJZZGZEKFUJH-IRXDYDNUSA-N 0 0 446.929 4.473 20 0 IIADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C[C@H]2C1 ZINC001164972559 722085762 /nfs/dbraw/zinc/08/57/62/722085762.db2.gz LQLOEZFSBUWWIW-IPPNXFFKSA-N 0 0 444.938 4.056 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)C[C@H]21 ZINC001164984888 722096881 /nfs/dbraw/zinc/09/68/81/722096881.db2.gz XODODSNABLWTDV-ZMSDIMECSA-N 0 0 441.309 4.479 20 0 IIADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C2)C1=O ZINC001164983146 722162782 /nfs/dbraw/zinc/16/27/82/722162782.db2.gz YGHOIDNQVNAQOF-JOCHJYFZSA-N 0 0 440.881 4.466 20 0 IIADRN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164973507 722165441 /nfs/dbraw/zinc/16/54/41/722165441.db2.gz BOPVVQNWAOYOSN-KSSFIOAISA-N 0 0 433.952 4.298 20 0 IIADRN FC(F)(c1c2c(nnc1Cl)CCC2)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164976962 722165615 /nfs/dbraw/zinc/16/56/15/722165615.db2.gz LTDANOFMVANLTO-IERDGZPVSA-N 0 0 441.950 4.498 20 0 IIADRN CN(C)c1cc(C(F)(F)N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)nc(Cl)n1 ZINC001164979011 722166050 /nfs/dbraw/zinc/16/60/50/722166050.db2.gz SWUVMJHGELXQIE-OXJNMPFZSA-N 0 0 444.954 4.076 20 0 IIADRN COc1nnc(Cl)cc1C(F)(F)N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164977006 722166287 /nfs/dbraw/zinc/16/62/87/722166287.db2.gz MGDAJMXGPLYNJE-KXBFYZLASA-N 0 0 431.911 4.018 20 0 IIADRN CSc1cc(Cl)ncc1N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164989204 722180111 /nfs/dbraw/zinc/18/01/11/722180111.db2.gz LMBAMYVFCDAXIR-DOTOQJQBSA-N 0 0 425.023 4.092 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)nc5sc(C)c(C)c54)CC[C@@H]32)cs1 ZINC001164989832 722181159 /nfs/dbraw/zinc/18/11/59/722181159.db2.gz MIWBOACPHJWGCE-RBUKOAKNSA-N 0 0 443.642 4.251 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nnc(Cl)c5cccc(C)c54)CC[C@@H]32)cs1 ZINC001164993863 722181247 /nfs/dbraw/zinc/18/12/47/722181247.db2.gz XICPAMLTXBTVQH-OALUTQOASA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cc(Cl)ncc4F)CC[C@H]32)cs1 ZINC001164985958 722181476 /nfs/dbraw/zinc/18/14/76/722181476.db2.gz CTLVBJUCYRBEPZ-IAGOWNOFSA-N 0 0 446.926 4.054 20 0 IIADRN CSc1ccnc(Cl)c1N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164986651 722183875 /nfs/dbraw/zinc/18/38/75/722183875.db2.gz DZENGAAYTQEJEX-JKSUJKDBSA-N 0 0 425.023 4.092 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(C)nc(-c5cccs5)n4)CC[C@H]32)cs1 ZINC001164988996 722185730 /nfs/dbraw/zinc/18/57/30/722185730.db2.gz NRMNUXYLPKNGNV-MOPGFXCFSA-N 0 0 441.626 4.148 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nnc(Cl)c5ccc(F)cc54)CC[C@H]32)cs1 ZINC001164991377 722185980 /nfs/dbraw/zinc/18/59/80/722185980.db2.gz UCOAGIDDWLWREU-MOPGFXCFSA-N 0 0 447.967 4.057 20 0 IIADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164988336 722187420 /nfs/dbraw/zinc/18/74/20/722187420.db2.gz DSAMQIXMYGJYES-CQSZACIVSA-N 0 0 436.330 4.035 20 0 IIADRN COc1nnc(Cl)cc1C(F)(F)N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164997532 722213235 /nfs/dbraw/zinc/21/32/35/722213235.db2.gz RKASSSLVFONUFF-LJQANCHMSA-N 0 0 426.870 4.068 20 0 IIADRN COc1cc(C(F)(F)N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc(Cl)n1 ZINC001164998475 722213784 /nfs/dbraw/zinc/21/37/84/722213784.db2.gz VURDHSRKDWKXPM-IBGZPJMESA-N 0 0 426.870 4.068 20 0 IIADRN CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)[C@H]2C1 ZINC001164997790 722217397 /nfs/dbraw/zinc/21/73/97/722217397.db2.gz RSKSSZWKJCOPFN-OWQGQXMQSA-N 0 0 439.890 4.048 20 0 IIADRN CC(C)CN1c2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)CC[C@H]21 ZINC001165003275 722245639 /nfs/dbraw/zinc/24/56/39/722245639.db2.gz IXFKACCWQSOSHL-VQIMIIECSA-N 0 0 434.918 4.217 20 0 IIADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001165001425 722248250 /nfs/dbraw/zinc/24/82/50/722248250.db2.gz QMHUNUFRKZIXQU-UHFFFAOYSA-N 0 0 445.857 4.053 20 0 IIADRN C[C@@H]1CN(C(F)(F)c2cccc(Cl)n2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007154 722273584 /nfs/dbraw/zinc/27/35/84/722273584.db2.gz BKSDFSYFFRLUIJ-IIMJZQEZSA-N 0 0 436.890 4.078 20 0 IIADRN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001123372511 939822183 /nfs/dbraw/zinc/82/21/83/939822183.db2.gz OKMOLULGWVRNEG-GAJHUEQPSA-N 0 0 448.485 4.120 20 0 IIADRN O=C([O-])[C@@]1(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC001123372265 939822573 /nfs/dbraw/zinc/82/25/73/939822573.db2.gz KIRUMNKKCGKEDR-TXTKFYIRSA-N 0 0 447.362 4.333 20 0 IIADRN O=C([O-])[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000426649909 1126081130 /nfs/dbraw/zinc/08/11/30/1126081130.db2.gz YWXIVOYSPHHTNX-KRWDZBQOSA-N 0 0 433.327 4.064 20 0 IIADRN CCOc1cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])cc(Br)c1OC(F)F ZINC000426683130 1126081527 /nfs/dbraw/zinc/08/15/27/1126081527.db2.gz OXGUYINYEHMYFC-HNNXBMFYSA-N 0 0 444.272 4.235 20 0 IIADRN CCOc1cc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])ccc1OC(F)F ZINC000426717764 1126081737 /nfs/dbraw/zinc/08/17/37/1126081737.db2.gz RRQGWYYNSPEJLE-OAHLLOKOSA-N 0 0 444.272 4.235 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000426721806 1126082384 /nfs/dbraw/zinc/08/23/84/1126082384.db2.gz DLEMGKLTQHQFOR-QHCPKHFHSA-N 0 0 433.504 4.212 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000426723179 1126082695 /nfs/dbraw/zinc/08/26/95/1126082695.db2.gz KQTUGNUNKKQHQN-SFHVURJKSA-N 0 0 429.419 4.172 20 0 IIADRN Cn1c(C[NH2+][C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])nc2cc(C(F)(F)F)ccc21 ZINC000426724229 1126082831 /nfs/dbraw/zinc/08/28/31/1126082831.db2.gz QMBVEQRFPOREJE-HNNXBMFYSA-N 0 0 429.801 4.170 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(Cl)cc1Br ZINC000426730228 1126083961 /nfs/dbraw/zinc/08/39/61/1126083961.db2.gz KIBUKLXVXRTNAG-INIZCTEOSA-N 0 0 440.721 4.049 20 0 IIADRN COc1cc(C[NH2+][C@@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])cc(OC)c1 ZINC000426731117 1126084065 /nfs/dbraw/zinc/08/40/65/1126084065.db2.gz CSDNJHZDCBFXRF-IBGZPJMESA-N 0 0 432.929 4.266 20 0 IIADRN O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000426733206 1126084445 /nfs/dbraw/zinc/08/44/45/1126084445.db2.gz LSIFLIZJLIVSCQ-DEOSSOPVSA-N 0 0 434.540 4.012 20 0 IIADRN CCOc1cc(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])ccc1OC ZINC000426795903 1126091083 /nfs/dbraw/zinc/09/10/83/1126091083.db2.gz ZMYVJLZNEVIKMM-GOSISDBHSA-N 0 0 447.329 4.123 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000426759488 1126088555 /nfs/dbraw/zinc/08/85/55/1126088555.db2.gz WSFISINTZSHKFG-FQEVSTJZSA-N 0 0 429.289 4.436 20 0 IIADRN C[C@@H]1CCc2nc(C[NH2+][C@H](Cc3c[nH]c4cccc(Br)c34)C(=O)[O-])sc2C1 ZINC000426759914 1126088586 /nfs/dbraw/zinc/08/85/86/1126088586.db2.gz OYRVOJHDWJCBLE-BDJLRTHQSA-N 0 0 448.386 4.297 20 0 IIADRN COc1cccc(C[C@@H]([NH2+]Cc2csc(-c3cccc(Br)c3)n2)C(=O)[O-])c1 ZINC000426767677 1126089320 /nfs/dbraw/zinc/08/93/20/1126089320.db2.gz PHEAJKBFPANPSH-GOSISDBHSA-N 0 0 447.354 4.367 20 0 IIADRN COc1cc(C[NH2+][C@H](Cc2c(F)cccc2Cl)C(=O)[O-])ccc1OCC(F)(F)F ZINC000426743771 1126086140 /nfs/dbraw/zinc/08/61/40/1126086140.db2.gz BHIQZIGSSKAZSV-OAHLLOKOSA-N 0 0 435.801 4.214 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000426753787 1126087659 /nfs/dbraw/zinc/08/76/59/1126087659.db2.gz LAMVJPKCMHNWBD-MRXNPFEDSA-N 0 0 440.721 4.049 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000426805636 1126091477 /nfs/dbraw/zinc/09/14/77/1126091477.db2.gz DHHXXTGKRRCFKJ-QGZVFWFLSA-N 0 0 439.256 4.317 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000426805635 1126091534 /nfs/dbraw/zinc/09/15/34/1126091534.db2.gz DHHXXTGKRRCFKJ-KRWDZBQOSA-N 0 0 439.256 4.317 20 0 IIADRN COc1ccc(C[NH2+][C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])cc1OCc1cccnc1 ZINC000426809836 1126091786 /nfs/dbraw/zinc/09/17/86/1126091786.db2.gz WTNJAWIJTPQSMD-QFIPXVFZSA-N 0 0 449.482 4.075 20 0 IIADRN CCn1c(C[NH2+][C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])nc2ccccc21 ZINC000579069706 1126098431 /nfs/dbraw/zinc/09/84/31/1126098431.db2.gz HYLGKMNVJIQGBW-KRWDZBQOSA-N 0 0 441.329 4.086 20 0 IIADRN Cn1c2ccc(C(F)(F)F)cc2nc1CN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000675472916 1126105005 /nfs/dbraw/zinc/10/50/05/1126105005.db2.gz GDTPPGVBONNQJS-QAPCUYQASA-N 0 0 431.380 4.216 20 0 IIADRN O=C([O-])[C@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000756387534 1126108922 /nfs/dbraw/zinc/10/89/22/1126108922.db2.gz KWRFJXONJJRUOO-INIZCTEOSA-N 0 0 427.444 4.245 20 0 IIADRN Cc1ccc(-n2c(Cl)c(CN[C@@H](CO)Cc3ccc(C)c(C)c3)nc2N(C)C)cc1 ZINC001206150567 1126159622 /nfs/dbraw/zinc/15/96/22/1126159622.db2.gz AHMXKMCPHMQZJN-HXUWFJFHSA-N 0 0 426.992 4.210 20 0 IIADRN O=C([O-])[C@H](Cn1cc(Cl)cn1)[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC001321112970 1126171276 /nfs/dbraw/zinc/17/12/76/1126171276.db2.gz IODUNVKVCYLEAO-HNNXBMFYSA-N 0 0 440.750 4.271 20 0 IIADRN CC(C)c1noc([C@@H](C)Sc2nnc3n2c2ccccc2c(=O)n3Cc2ccccc2)n1 ZINC000012522747 519908646 /nfs/dbraw/zinc/90/86/46/519908646.db2.gz HMYFFNWODCIGTE-OAHLLOKOSA-N 0 0 446.536 4.452 20 0 IIADRN NS(=O)(=O)c1ccc(Cc2cnc(NC(=O)c3cc4cc(Cl)ccc4o3)s2)cc1 ZINC000036639777 527313562 /nfs/dbraw/zinc/31/35/62/527313562.db2.gz JWBGAIJQHKDIPR-UHFFFAOYSA-N 0 0 447.925 4.033 20 0 IIADRN CCOc1cc(C[NH2+][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(Br)c1OC ZINC000040721624 556647619 /nfs/dbraw/zinc/64/76/19/556647619.db2.gz CCSQGGZNOAYDHQ-GOSISDBHSA-N 0 0 447.329 4.123 20 0 IIADRN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)c2cc3cccc4c3n2CCC4)C1=O ZINC000002015955 562925658 /nfs/dbraw/zinc/92/56/58/562925658.db2.gz CZPILLBHPRAPCB-AREMUKBSSA-N 0 0 448.526 4.157 20 0 investigational IIADRN O=C(Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1)c1ccco1 ZINC000004099429 562941782 /nfs/dbraw/zinc/94/17/82/562941782.db2.gz PPGOQBRTBZUXBN-FQEVSTJZSA-N 0 0 433.464 4.272 20 0 IIADRN COc1ccc2c(c1)c(CC(=O)NCCCCCO)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000013441186 562986361 /nfs/dbraw/zinc/98/63/61/562986361.db2.gz DIMRPPBPMWBQOI-UHFFFAOYSA-N 0 0 442.943 4.122 20 0 IIADRN O[C@@H](c1ccc(F)cc1)C1CCN(Cc2ccccc2I)CC1 ZINC000013473847 562988513 /nfs/dbraw/zinc/98/85/13/562988513.db2.gz VICKVZKXQKXAPK-IBGZPJMESA-N 0 0 425.285 4.376 20 0 IIADRN CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1 ZINC000015602326 563017912 /nfs/dbraw/zinc/01/79/12/563017912.db2.gz CJSGBKCJBNPFME-UHFFFAOYSA-N 0 0 443.594 4.272 20 0 IIADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCC[C@@]2(C)C(=O)OC)cc1 ZINC001164389259 718804974 /nfs/dbraw/zinc/80/49/74/718804974.db2.gz IHTCWWYMCZBHBU-FQEVSTJZSA-N 0 0 438.858 4.265 20 0 IIADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCC[C@]2(C)C(=O)OC)cc1 ZINC001164389262 718805048 /nfs/dbraw/zinc/80/50/48/718805048.db2.gz IHTCWWYMCZBHBU-HXUWFJFHSA-N 0 0 438.858 4.265 20 0 IIADRN OCC[C@H]1CC12CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164390654 718811582 /nfs/dbraw/zinc/81/15/82/718811582.db2.gz BLQRBULNRAOLJL-KRWDZBQOSA-N 0 0 426.630 4.155 20 0 IIADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CCC3(CC(=O)CO3)CC2)c2ccccc21 ZINC001164392041 718827339 /nfs/dbraw/zinc/82/73/39/718827339.db2.gz ZFVMJKYPPUWGSK-UHFFFAOYSA-N 0 0 446.885 4.162 20 0 IIADRN COc1ccc2nc(C(F)(F)N3C[C@@H]4C(=O)Nc5ccccc5[C@H]4C3)nc(Cl)c2c1 ZINC001164401486 718858796 /nfs/dbraw/zinc/85/87/96/718858796.db2.gz FIGHQEOZFFYZOL-CABCVRRESA-N 0 0 430.842 4.009 20 0 IIADRN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(F)(F)c1cccc(Cl)n1)CC2 ZINC001164427148 718951684 /nfs/dbraw/zinc/95/16/84/718951684.db2.gz BNJABRRGXOHDHR-SFHVURJKSA-N 0 0 449.929 4.281 20 0 IIADRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164433484 718973592 /nfs/dbraw/zinc/97/35/92/718973592.db2.gz LSFFHOOAIWSUHU-KDOFPFPSSA-N 0 0 446.281 4.030 20 0 IIADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164650659 719292095 /nfs/dbraw/zinc/29/20/95/719292095.db2.gz ZOYHJAHDGLYAKS-JZXOWHBKSA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645826 719294314 /nfs/dbraw/zinc/29/43/14/719294314.db2.gz MCCOZJQZNZULEA-FCEWJHQRSA-N 0 0 434.874 4.109 20 0 IIADRN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164656907 719295458 /nfs/dbraw/zinc/29/54/58/719295458.db2.gz ZFZGJHQPJZXOFL-RKVPGOIHSA-N 0 0 446.281 4.161 20 0 IIADRN FC(F)(N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1)C1(c2ccc(Cl)nc2)CC1 ZINC001164656123 719295766 /nfs/dbraw/zinc/29/57/66/719295766.db2.gz WFAWZXQCHYKVRW-HBFSDRIKSA-N 0 0 435.902 4.203 20 0 IIADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)C[C@@H]3O2)n1 ZINC001164655660 719298329 /nfs/dbraw/zinc/29/83/29/719298329.db2.gz UMJHCJVWGFIWCP-SWHYSGLUSA-N 0 0 439.825 4.015 20 0 IIADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4nc(Cl)c5cc(F)ccc5n4)C[C@@H]3O2)n1 ZINC001164656161 719298944 /nfs/dbraw/zinc/29/89/44/719298944.db2.gz WOCGYEFWLWMKNV-LKTVYLICSA-N 0 0 439.825 4.015 20 0 IIADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(-c5ccccc5)nnc4Cl)C[C@@H]3O2)n1 ZINC001164652487 719300929 /nfs/dbraw/zinc/30/09/29/719300929.db2.gz NBMCIMXRWNTDES-WBAXXEDZSA-N 0 0 447.873 4.390 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)C[C@H]2CCCO[C@@H]21 ZINC001164651880 719303263 /nfs/dbraw/zinc/30/32/63/719303263.db2.gz MOQNMTHUHKFIIR-ZTNFWEORSA-N 0 0 435.902 4.039 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001164648306 719313128 /nfs/dbraw/zinc/31/31/28/719313128.db2.gz HRUPFJKMCYVMBW-UHFFFAOYSA-N 0 0 434.922 4.230 20 0 IIADRN F[C@H](Oc1cccc(Cl)n1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164656542 719323008 /nfs/dbraw/zinc/32/30/08/719323008.db2.gz XSXBPHCKIXHCNM-QFIPXVFZSA-N 0 0 443.910 4.006 20 0 IIADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)C[C@H]2CCCO[C@H]21 ZINC001164654278 719325480 /nfs/dbraw/zinc/32/54/80/719325480.db2.gz JVIJPFITIGMGSX-HGHGUNKESA-N 0 0 449.929 4.333 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCC1CCCC1 ZINC001164662071 719343506 /nfs/dbraw/zinc/34/35/06/719343506.db2.gz MYHONEOJYFKPMT-GJYPPUQNSA-N 0 0 438.906 4.166 20 0 IIADRN FC(F)(c1c2c(nnc1Cl)CCC2)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@H]21 ZINC001164659380 719344164 /nfs/dbraw/zinc/34/41/64/719344164.db2.gz BXJLQFDHSZFWDP-LMMKCTJWSA-N 0 0 427.923 4.107 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)c2cnc(Cl)nc2Cl)Cc2nn(CC3CC3)cc21 ZINC001164662404 719362682 /nfs/dbraw/zinc/36/26/82/719362682.db2.gz CATCQCLYMDWARH-GFCCVEGCSA-N 0 0 432.302 4.075 20 0 IIADRN CC(C)(C)OC(=O)c1ccnc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1 ZINC001164673812 719496454 /nfs/dbraw/zinc/49/64/54/719496454.db2.gz SFCJEXQEVRAQST-UHFFFAOYSA-N 0 0 441.547 4.047 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2nc(Cl)nc4c(F)cccc42)CC3)cc1 ZINC001164671160 719503947 /nfs/dbraw/zinc/50/39/47/719503947.db2.gz BVBHGLPDBVAGMS-UHFFFAOYSA-N 0 0 444.913 4.433 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2ncc4c(n2)-c2ccccc2CC4)CC3)cc1 ZINC001164673979 719517207 /nfs/dbraw/zinc/51/72/07/719517207.db2.gz WOIRGFMPNQWXJZ-UHFFFAOYSA-N 0 0 444.554 4.253 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2cc(-c4ccc(F)cc4)ncn2)CC3)cc1 ZINC001164673973 719523389 /nfs/dbraw/zinc/52/33/89/719523389.db2.gz WGXFJADYBOHXKT-UHFFFAOYSA-N 0 0 436.506 4.293 20 0 IIADRN CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1 ZINC001164679133 719533344 /nfs/dbraw/zinc/53/33/44/719533344.db2.gz UFRXRIFXNFQMDR-GOSISDBHSA-N 0 0 437.563 4.482 20 0 IIADRN Cc1nc(CN2C(=O)CCC23CCN(C(F)(F)c2cnc(Cl)c(F)c2)CC3)cs1 ZINC001164688148 719593109 /nfs/dbraw/zinc/59/31/09/719593109.db2.gz UIFXTPFIWGXTHR-UHFFFAOYSA-N 0 0 444.910 4.346 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)C[C@@H]2COc1cccnc1 ZINC001164688786 719600345 /nfs/dbraw/zinc/60/03/45/719600345.db2.gz ZXKZMDSZYREXCE-OAHLLOKOSA-N 0 0 445.901 4.166 20 0 IIADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc3c2CCCCC3)N1Cc1cccnc1 ZINC001164691020 719778468 /nfs/dbraw/zinc/77/84/68/719778468.db2.gz KCGMFZDSBISTLC-WOJBJXKFSA-N 0 0 446.929 4.324 20 0 IIADRN CC(C)Oc1ncnc2c1CCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)CC2 ZINC001164694794 719792033 /nfs/dbraw/zinc/79/20/33/719792033.db2.gz HGBUNPVYRCMJGW-UHFFFAOYSA-N 0 0 435.862 4.117 20 0 IIADRN Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)Oc2cc(Cl)nc(Cl)c2)CC3)cn1 ZINC001164699595 719827104 /nfs/dbraw/zinc/82/71/04/719827104.db2.gz XWRIIZWGZUWURX-LBPRGKRZSA-N 0 0 433.286 4.090 20 0 IIADRN O=C1COC2(CCN(C(F)(F)c3ccc(Cl)c(Cl)n3)CC2)CN1c1ccccc1 ZINC001164695889 719836551 /nfs/dbraw/zinc/83/65/51/719836551.db2.gz QBRBQQIJDXGYMT-UHFFFAOYSA-N 0 0 442.293 4.336 20 0 IIADRN FC(F)(c1cc2ccccc2nc1Cl)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164809185 720049817 /nfs/dbraw/zinc/04/98/17/720049817.db2.gz ZDVLWUSFECXQTN-UWJYYQICSA-N 0 0 448.901 4.084 20 0 IIADRN Cc1noc([C@]23COC[C@@H]2CN(C(F)(F)c2ccc(-c4ccnc(Cl)c4)cc2)C3)n1 ZINC001164805477 720055891 /nfs/dbraw/zinc/05/58/91/720055891.db2.gz OORFUAIBNXCUGT-FXAWDEMLSA-N 0 0 432.858 4.043 20 0 IIADRN Cc1noc([C@@]23COC[C@@H]2CN(C(F)(F)c2ccc4nc(Cl)cc(Cl)c4c2)C3)n1 ZINC001164803912 720057075 /nfs/dbraw/zinc/05/70/75/720057075.db2.gz KZKVHLQALBMYBF-SGTLLEGYSA-N 0 0 441.265 4.182 20 0 IIADRN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)cn1 ZINC001164713865 720078378 /nfs/dbraw/zinc/07/83/78/720078378.db2.gz UZRGZIIMKDUMBU-RBUKOAKNSA-N 0 0 449.933 4.445 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(Cl)c2)cs1 ZINC001164816885 720250244 /nfs/dbraw/zinc/25/02/44/720250244.db2.gz NJUUYAJQEKGVRH-LSDHHAIUSA-N 0 0 447.338 4.468 20 0 IIADRN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cccc2ccnc(Cl)c21 ZINC001164723254 720315513 /nfs/dbraw/zinc/31/55/13/720315513.db2.gz MYIQLGXEXIQHHY-SFHVURJKSA-N 0 0 447.917 4.450 20 0 IIADRN [O-][n+]1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)cc1Cl ZINC001164828103 720396674 /nfs/dbraw/zinc/39/66/74/720396674.db2.gz HTAJXQYOUBBFGT-GOSISDBHSA-N 0 0 429.845 4.260 20 0 IIADRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)O2)n1 ZINC001164830545 720405125 /nfs/dbraw/zinc/40/51/25/720405125.db2.gz SBJNLJKNBPAVKD-ZNMIVQPWSA-N 0 0 439.825 4.158 20 0 IIADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3[C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)O2)n1 ZINC001164830586 720409747 /nfs/dbraw/zinc/40/97/47/720409747.db2.gz SHQWNRBWYOCLET-WIRSXHRWSA-N 0 0 445.882 4.115 20 0 IIADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C[C@@H]21 ZINC001164824342 720418794 /nfs/dbraw/zinc/41/87/94/720418794.db2.gz KUKDXXJBWNTIGX-GPMSIDNRSA-N 0 0 437.918 4.047 20 0 IIADRN CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cccc4c(Cl)nccc43)C[C@H]21 ZINC001164828561 720420910 /nfs/dbraw/zinc/42/09/10/720420910.db2.gz XKCCKIRZCOCVQX-RKVPGOIHSA-N 0 0 437.918 4.047 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1 ZINC001164736069 720537327 /nfs/dbraw/zinc/53/73/27/720537327.db2.gz UZWQHEUHZKOGSZ-AUUYWEPGSA-N 0 0 427.854 4.269 20 0 IIADRN Cc1nc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COc3ccccn3)C2)nc(Cl)c1C ZINC001164734694 720539537 /nfs/dbraw/zinc/53/95/37/720539537.db2.gz KNKUUPLOSRPSIT-UZLBHIALSA-N 0 0 438.906 4.141 20 0 IIADRN COc1cc(C(F)(F)N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)cc(Cl)n1 ZINC001164849494 720771515 /nfs/dbraw/zinc/77/15/15/720771515.db2.gz SVHGLAHMMLBRMF-SQNIBIBYSA-N 0 0 439.890 4.027 20 0 IIADRN COC[C@@]12CCC[C@H]1CN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164846687 720792283 /nfs/dbraw/zinc/79/22/83/720792283.db2.gz KEDQSNMROBAJPY-XDHUDOTRSA-N 0 0 426.630 4.419 20 0 IIADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4cc(C5CC5)nnc4Cl)C3)C2=O)c1 ZINC001164851240 720808513 /nfs/dbraw/zinc/80/85/13/720808513.db2.gz KKZMERBKAJHZCU-JOCHJYFZSA-N 0 0 446.929 4.490 20 0 IIADRN Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)cc(Cl)n1 ZINC001164860854 720897108 /nfs/dbraw/zinc/89/71/08/720897108.db2.gz VKGPFTGHLNEZNC-RXVVDRJESA-N 0 0 435.902 4.146 20 0 IIADRN Cc1nc(C(F)(F)N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)nc(Cl)c1C ZINC001164762914 721029900 /nfs/dbraw/zinc/02/99/00/721029900.db2.gz JFUKKBJJQOIDRP-FXAWDEMLSA-N 0 0 438.906 4.031 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)ncc2Cl)n1 ZINC001164765675 721050440 /nfs/dbraw/zinc/05/04/40/721050440.db2.gz CSJFOXBGZNIPLX-JKSUJKDBSA-N 0 0 427.282 4.017 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@H]32)N=C1C ZINC001164869093 721228850 /nfs/dbraw/zinc/22/88/50/721228850.db2.gz BOZIVWDIIZEITD-QLVMHMETSA-N 0 0 432.902 4.299 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C[C@@H]32)N=C1C ZINC001164871656 721228918 /nfs/dbraw/zinc/22/89/18/721228918.db2.gz KFZSREYEPIOXOR-UQASEVPWSA-N 0 0 432.902 4.299 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cccc5ccnc(Cl)c54)C[C@@H]32)N=C1C ZINC001164870188 721230539 /nfs/dbraw/zinc/23/05/39/721230539.db2.gz GGNDYTOAOIQQQS-HZUJVAHNSA-N 0 0 432.902 4.299 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@H]32)N=C1C ZINC001164872127 721236276 /nfs/dbraw/zinc/23/62/76/721236276.db2.gz JYBJSIZNZKPSBB-AVBTWRTFSA-N 0 0 448.901 4.405 20 0 IIADRN CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@@H]32)N=C1C ZINC001164872129 721236406 /nfs/dbraw/zinc/23/64/06/721236406.db2.gz JYBJSIZNZKPSBB-DAESXHAQSA-N 0 0 448.901 4.405 20 0 IIADRN 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ZINC001164875596 721330253 /nfs/dbraw/zinc/33/02/53/721330253.db2.gz MZBBXBJIAQAQJK-AWEZNQCLSA-N 0 0 439.919 4.095 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cnc4cc(Cl)ccc4n3)C2)C1 ZINC001164779102 721345429 /nfs/dbraw/zinc/34/54/29/721345429.db2.gz QXRUVKXYZJQFMD-HSZRJFAPSA-N 0 0 441.963 4.007 20 0 IIADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)N1c1ccsc1 ZINC001164884004 721355798 /nfs/dbraw/zinc/35/57/98/721355798.db2.gz SJGMFJSEFAWKCX-HUUCEWRRSA-N 0 0 438.862 4.413 20 0 IIADRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)N1c1ccsc1 ZINC001164882398 721357991 /nfs/dbraw/zinc/35/79/91/721357991.db2.gz IUIOHCOUWNZFSX-GJZGRUSLSA-N 0 0 447.898 4.183 20 0 IIADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)N1c1ccsc1 ZINC001164885078 721358322 /nfs/dbraw/zinc/35/83/22/721358322.db2.gz WPTKNFROPOGKIH-LSDHHAIUSA-N 0 0 447.898 4.183 20 0 IIADRN CS(=O)(=O)N1CCCC[C@]12CCCN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164884446 721375853 /nfs/dbraw/zinc/37/58/53/721375853.db2.gz 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433.952 4.021 20 0 IIADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164795546 721505479 /nfs/dbraw/zinc/50/54/79/721505479.db2.gz LBEOMTUQDWFGFY-IIBYNOLFSA-N 0 0 449.933 4.356 20 0 IIADRN COC(=O)c1cc(C(F)(F)N2C[C@@H]3CCC[C@]3(COc3ccccn3)C2)cnc1Cl ZINC001164796275 721505501 /nfs/dbraw/zinc/50/55/01/721505501.db2.gz QVLDPZNLBPSRGX-VBKZILBWSA-N 0 0 437.874 4.147 20 0 IIADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164795798 721507129 /nfs/dbraw/zinc/50/71/29/721507129.db2.gz NHKFMAHNEYBYGR-XOBRGWDASA-N 0 0 437.874 4.147 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3ccc(Cl)cc32)[C@H]2CCCO[C@H]12 ZINC001164795189 721525617 /nfs/dbraw/zinc/52/56/17/721525617.db2.gz LLNGMVULEQPCOW-ZCNNSNEGSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc3ccc(Cl)cc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164799888 721545832 /nfs/dbraw/zinc/54/58/32/721545832.db2.gz BRCDLOLOOJVEHH-AQNXPRMDSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c(Cl)cccc32)[C@@H]2CCCO[C@H]12 ZINC001164802493 721549230 /nfs/dbraw/zinc/54/92/30/721549230.db2.gz GNCRFAKJEKAJAS-GGPKGHCWSA-N 0 0 444.366 4.200 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cccc(Cl)c32)[C@H]2CCCO[C@@H]12 ZINC001164802286 721553956 /nfs/dbraw/zinc/55/39/56/721553956.db2.gz IAAYIBKBWJTPCO-NLWGTHIKSA-N 0 0 444.366 4.200 20 0 IIADRN Cc1cccc(Sc2cncc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)n2)c1 ZINC001164807424 721570871 /nfs/dbraw/zinc/57/08/71/721570871.db2.gz TTZWGPOEADUUIN-OTNCWRBYSA-N 0 0 447.608 4.199 20 0 IIADRN CN(C)C(=O)[C@@H]1CC12CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)CC2 ZINC001164901968 721571692 /nfs/dbraw/zinc/57/16/92/721571692.db2.gz ICVNFOZRYIZTOX-INIZCTEOSA-N 0 0 438.881 4.176 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3cccc(Cl)c3)nn2)[C@H]2CCCO[C@H]12 ZINC001164804360 721578112 /nfs/dbraw/zinc/57/81/12/721578112.db2.gz JQMPXDXCPQBPPQ-ZDXQCDESSA-N 0 0 435.959 4.060 20 0 IIADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CCn4cnc(COCC5CC5)c4C3)nc12 ZINC001164804245 721599629 /nfs/dbraw/zinc/59/96/29/721599629.db2.gz XQPRBCLNFSDSJG-UHFFFAOYSA-N 0 0 437.853 4.111 20 0 IIADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164803472 721599845 /nfs/dbraw/zinc/59/98/45/721599845.db2.gz UVWDOJXMHWVCLW-UHFFFAOYSA-N 0 0 445.901 4.485 20 0 IIADRN COc1cc(C(F)(F)N2C[C@@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)nc(Cl)n1 ZINC001164805011 721601860 /nfs/dbraw/zinc/60/18/60/721601860.db2.gz ZKJKPEBVRHEAQZ-JXFKEZNVSA-N 0 0 438.906 4.210 20 0 IIADRN FC(F)(Oc1cccnc1Cl)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164803762 721603650 /nfs/dbraw/zinc/60/36/50/721603650.db2.gz WDISVTFGFCNBDI-INIZCTEOSA-N 0 0 439.890 4.257 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001164799326 721603651 /nfs/dbraw/zinc/60/36/51/721603651.db2.gz JQJGUQJNIRSFID-INIZCTEOSA-N 0 0 439.890 4.257 20 0 IIADRN CC(C)C(=O)N1CCC[C@]12CCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)C2 ZINC001165012032 721724638 /nfs/dbraw/zinc/72/46/38/721724638.db2.gz ZEKSWDCNHQLNGN-LJQANCHMSA-N 0 0 426.870 4.195 20 0 IIADRN Cc1nc(Cl)cc(C(F)(F)N2CCc3c(CN(C)Cc4ccco4)cncc3C2)n1 ZINC001164909440 721747910 /nfs/dbraw/zinc/74/79/10/721747910.db2.gz UBLXUHWSDKTCOB-UHFFFAOYSA-N 0 0 433.890 4.166 20 0 IIADRN Cc1nc(-c2ccncc2)cc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)n1 ZINC001164911464 721762568 /nfs/dbraw/zinc/76/25/68/721762568.db2.gz PCILLWSDBLAPSK-UHFFFAOYSA-N 0 0 426.524 4.030 20 0 IIADRN Fc1ccccc1-c1cc(C(F)(F)N2C[C@H](OCC3CC3)[C@@H]3COC[C@H]32)c(Cl)nn1 ZINC001165015207 721764750 /nfs/dbraw/zinc/76/47/50/721764750.db2.gz NTDFZGUTLUDALG-ZMYBRWDISA-N 0 0 439.865 4.111 20 0 IIADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)[C@@H]2C1 ZINC001165020585 721769353 /nfs/dbraw/zinc/76/93/53/721769353.db2.gz YRHAKUBINLMWEQ-SUMWQHHRSA-N 0 0 432.858 4.162 20 0 IIADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)[C@@H]2C1 ZINC001165021174 721771257 /nfs/dbraw/zinc/77/12/57/721771257.db2.gz ZYSIZCXCWODMQN-SUMWQHHRSA-N 0 0 448.857 4.042 20 0 IIADRN O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001165017401 721784309 /nfs/dbraw/zinc/78/43/09/721784309.db2.gz GQHIFMZKWASSHM-OAQYLSRUSA-N 0 0 443.885 4.247 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)c1 ZINC001164916501 721802676 /nfs/dbraw/zinc/80/26/76/721802676.db2.gz PNJXEBUYZALGRZ-QGZVFWFLSA-N 0 0 429.849 4.120 20 0 IIADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164915785 721804888 /nfs/dbraw/zinc/80/48/88/721804888.db2.gz LBQJZPWBFVVSTH-FOIQADDNSA-N 0 0 432.858 4.040 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(c2nc(C(F)F)nc3ccc(Cl)cc32)CC1 ZINC001164918931 721820692 /nfs/dbraw/zinc/82/06/92/721820692.db2.gz IYCUTOVADCHQPB-UHFFFAOYSA-N 0 0 432.906 4.167 20 0 IIADRN CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)C(=O)Nc2c3cccc2F)n1 ZINC001165020052 721832416 /nfs/dbraw/zinc/83/24/16/721832416.db2.gz BJXGQEMBPQTSIR-UHFFFAOYSA-N 0 0 428.867 4.026 20 0 IIADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001165023801 721833111 /nfs/dbraw/zinc/83/31/11/721833111.db2.gz VHPZXDGKBHQCSA-UHFFFAOYSA-N 0 0 432.833 4.458 20 0 IIADRN FC(F)(c1cccc2ccnc(Cl)c21)N1C[C@@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164923830 721839676 /nfs/dbraw/zinc/83/96/76/721839676.db2.gz KKXYMDRBQGCSLD-VGOFRKELSA-N 0 0 445.897 4.498 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)CC[C@H]21)NC1CCC1 ZINC001164932781 721896549 /nfs/dbraw/zinc/89/65/49/721896549.db2.gz IGQRWSIGCBXNHR-MDYRTPRTSA-N 0 0 449.929 4.333 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC[C@H]21)NC1CCC1 ZINC001164936482 721897463 /nfs/dbraw/zinc/89/74/63/721897463.db2.gz YWFYDCDYZWYFIQ-ZTNFWEORSA-N 0 0 449.929 4.333 20 0 IIADRN O=C(C1=CC2(CCN(C(F)(F)c3ccc(Cl)nn3)CC2)c2ccccc21)N1CCCC1 ZINC001164927033 721899419 /nfs/dbraw/zinc/89/94/19/721899419.db2.gz FJSXMGFBFIYRHX-UHFFFAOYSA-N 0 0 444.913 4.233 20 0 IIADRN Cn1ccc(CN2CCOCC23CCN(c2cc(Cl)nc4cc(Cl)ccc42)CC3)n1 ZINC001164933877 721904397 /nfs/dbraw/zinc/90/43/97/721904397.db2.gz SPWRCWVQNGOTMF-UHFFFAOYSA-N 0 0 446.382 4.147 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164935041 721910740 /nfs/dbraw/zinc/91/07/40/721910740.db2.gz FAEBAZPBOAQTGB-DYVFJYSZSA-N 0 0 446.860 4.318 20 0 IIADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001164937772 721915162 /nfs/dbraw/zinc/91/51/62/721915162.db2.gz QRLURFYFPJFDRQ-UHFFFAOYSA-N 0 0 428.874 4.285 20 0 IIADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001164938160 721915685 /nfs/dbraw/zinc/91/56/85/721915685.db2.gz IWAUVSAZDIVTST-UHFFFAOYSA-N 0 0 447.704 4.438 20 0 IIADRN O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H](c2ccncc2)C1 ZINC001165043597 721927251 /nfs/dbraw/zinc/92/72/51/721927251.db2.gz MVLDIMVXSIQGGG-KRWDZBQOSA-N 0 0 444.869 4.421 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3c(C)c(Cl)nc4cc(F)cc(F)c43)C[C@@H]21 ZINC001164949940 721962663 /nfs/dbraw/zinc/96/26/63/721962663.db2.gz ZLQLMAQCNFBFMS-RBUKOAKNSA-N 0 0 448.901 4.169 20 0 IIADRN COC(=O)CCN(Cc1ccco1)c1nc(CN2CCCCC2)nc2sc(C)c(C)c21 ZINC001165049651 721982624 /nfs/dbraw/zinc/98/26/24/721982624.db2.gz MLKRRIDBYLZFLD-UHFFFAOYSA-N 0 0 442.585 4.457 20 0 IIADRN FC(F)(F)c1nnc(N2CCN(C(F)(F)c3ccc(Cl)nc3Cl)CC2)s1 ZINC001165052735 721999577 /nfs/dbraw/zinc/99/95/77/721999577.db2.gz XCWZDCQKKGWMNM-UHFFFAOYSA-N 0 0 434.221 4.130 20 0 IIADRN COc1ccc(C(F)(F)N2C[C@@H]3Cc4c(c(-c5ccccc5)nn4C)[C@@H]3C2)nc1Cl ZINC001164951079 722004511 /nfs/dbraw/zinc/00/45/11/722004511.db2.gz GOYQPGNLROXFGK-LSDHHAIUSA-N 0 0 430.886 4.465 20 0 IIADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3c4c(nnc3Cl)CCC4)C[C@H]21 ZINC001164951226 722005202 /nfs/dbraw/zinc/00/52/02/722005202.db2.gz HLCXBNPEKBJRBX-ZBFHGGJFSA-N 0 0 441.913 4.340 20 0 IIADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCN(CCc2ccccn2)CC1 ZINC001165056597 722013638 /nfs/dbraw/zinc/01/36/38/722013638.db2.gz XULKXYJTRFRFPC-UHFFFAOYSA-N 0 0 438.309 4.241 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cc(Cl)ncc1Cl ZINC001164965073 722027847 /nfs/dbraw/zinc/02/78/47/722027847.db2.gz ZOBPVQPCKSAQIJ-IIAWOOMASA-N 0 0 434.245 4.283 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001164958353 722030130 /nfs/dbraw/zinc/03/01/30/722030130.db2.gz OOVLGANRBJGVLW-JZXOWHBKSA-N 0 0 439.865 4.204 20 0 IIADRN FC(F)(c1cncc(Cl)n1)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001164957173 722049923 /nfs/dbraw/zinc/04/99/23/722049923.db2.gz HZJZNIDDAZTELQ-UHFFFAOYSA-N 0 0 441.873 4.164 20 0 IIADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCc2onc(Cn3cccn3)c2C1 ZINC001164961290 722050752 /nfs/dbraw/zinc/05/07/52/722050752.db2.gz XFOXTWIWMUOHTA-UHFFFAOYSA-N 0 0 442.857 4.137 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cccc(Cl)n2)[C@H]3C)c1 ZINC001164966434 722062689 /nfs/dbraw/zinc/06/26/89/722062689.db2.gz STBZBOSYPANPNG-HNNXBMFYSA-N 0 0 433.890 4.478 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cccc(Cl)n2)[C@@H]3C)c1 ZINC001164966435 722062813 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4.056 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)C[C@H]21 ZINC001164984728 722097534 /nfs/dbraw/zinc/09/75/34/722097534.db2.gz UFPARXFDTKHVHL-JJRVBVJISA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cc4cc[nH]c4c(Cl)n3)C[C@H]21 ZINC001164986619 722097889 /nfs/dbraw/zinc/09/78/89/722097889.db2.gz ZPYGVXPYQQHWQN-GPMSIDNRSA-N 0 0 445.901 4.307 20 0 IIADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)C2)C1=O ZINC001164978567 722162268 /nfs/dbraw/zinc/16/22/68/722162268.db2.gz IMJQRLXXYAJYBJ-QFIPXVFZSA-N 0 0 440.881 4.466 20 0 IIADRN COc1cc(C(F)(F)N2CCC[C@]3(C[C@@H](OCC4CCCC4)CO3)C2)nc(Cl)n1 ZINC001164977414 722166263 /nfs/dbraw/zinc/16/62/63/722166263.db2.gz NLMGVFHSHUZODC-BEFAXECRSA-N 0 0 431.911 4.018 20 0 IIADRN CCS(=O)(=O)c1cc(C(F)(F)N2CCC3(CC(OCC4CC4)C3)CC2)cnc1Cl ZINC001164987985 722172967 /nfs/dbraw/zinc/17/29/67/722172967.db2.gz PXJREBOIPYNAMI-UHFFFAOYSA-N 0 0 448.963 4.249 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4ccnc(Cl)c4F)CC[C@@H]32)cs1 ZINC001164982961 722175461 /nfs/dbraw/zinc/17/54/61/722175461.db2.gz AHQWEJPXCOXEDM-JKSUJKDBSA-N 0 0 446.926 4.054 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5ccc(F)cc54)CC[C@H]32)cs1 ZINC001164988405 722176560 /nfs/dbraw/zinc/17/65/60/722176560.db2.gz QOEBAZYESBKYAQ-RTBURBONSA-N 0 0 447.967 4.057 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4nc(Cl)ccc4F)CC[C@H]32)cs1 ZINC001164994510 722181170 /nfs/dbraw/zinc/18/11/70/722181170.db2.gz YYFIAXJOYMJUIL-HZPDHXFCSA-N 0 0 446.926 4.054 20 0 IIADRN CSc1ccnc(Cl)c1N1CC[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164986645 722183863 /nfs/dbraw/zinc/18/38/63/722183863.db2.gz DZENGAAYTQEJEX-HOTGVXAUSA-N 0 0 425.023 4.092 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nnc(Cl)c5ccc(F)cc54)CC[C@@H]32)cs1 ZINC001164991380 722185989 /nfs/dbraw/zinc/18/59/89/722185989.db2.gz UCOAGIDDWLWREU-OALUTQOASA-N 0 0 447.967 4.057 20 0 IIADRN CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1 ZINC001164989525 722186837 /nfs/dbraw/zinc/18/68/37/722186837.db2.gz OUWCZMYMVTXLBF-RYGJVYDSSA-N 0 0 440.617 4.106 20 0 IIADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164994667 722214388 /nfs/dbraw/zinc/21/43/88/722214388.db2.gz CGFFMPFVTMKPSF-SXLOBPIMSA-N 0 0 449.929 4.455 20 0 IIADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cc(Cl)nc(Cl)c2)n1 ZINC001164998965 722226051 /nfs/dbraw/zinc/22/60/51/722226051.db2.gz GLBVWLGBKMIZDF-CYBMUJFWSA-N 0 0 432.302 4.147 20 0 IIADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cnc(Cl)c(Cl)c2)n1 ZINC001165001005 722226073 /nfs/dbraw/zinc/22/60/73/722226073.db2.gz XHZUVHCGGSGKIP-CQSZACIVSA-N 0 0 432.302 4.147 20 0 IIADRN CC(C)CN1c2ccccc2[C@@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)CC[C@@H]21 ZINC001165006510 722245531 /nfs/dbraw/zinc/24/55/31/722245531.db2.gz ZCUXNBAHTVMYAE-HOCLYGCPSA-N 0 0 432.906 4.341 20 0 IIADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001165000648 722247500 /nfs/dbraw/zinc/24/75/00/722247500.db2.gz IOKUOAWDIRCJLF-UHFFFAOYSA-N 0 0 440.237 4.131 20 0 IIADRN FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@H](OCC2CC2)[C@H]1Cc1ccccc1 ZINC001165005217 722272003 /nfs/dbraw/zinc/27/20/03/722272003.db2.gz FXLBCGSPUAWNTQ-CVEARBPZSA-N 0 0 433.890 4.119 20 0 IIADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)c2cc(Cl)nc(C)n2)CC3)cs1 ZINC001165005225 722272573 /nfs/dbraw/zinc/27/25/73/722272573.db2.gz GCDRHIFGBMYVNG-HNNXBMFYSA-N 0 0 444.935 4.093 20 0 IIADRN Cc1nc(CO[C@H]2COC3(C2)CCN(C(F)(F)c2cc(Cl)nc(C)n2)CC3)cs1 ZINC001165005226 722272612 /nfs/dbraw/zinc/27/26/12/722272612.db2.gz GCDRHIFGBMYVNG-OAHLLOKOSA-N 0 0 444.935 4.093 20 0 IIADRN C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C(=O)[O-])c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576648 939137144 /nfs/dbraw/zinc/13/71/44/939137144.db2.gz BTKJTQWZKAXGTR-YZGWKJHDSA-N 0 0 449.473 4.213 20 0 IIADRN COc1cc(-c2ccccc2)ccc1C[NH2+][C@H](Cc1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000426723626 1126082720 /nfs/dbraw/zinc/08/27/20/1126082720.db2.gz MWVOIBNGFZISCD-JOCHJYFZSA-N 0 0 433.504 4.309 20 0 IIADRN CCCOc1c(Br)cc(C[NH2+][C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1OC ZINC000426730114 1126083970 /nfs/dbraw/zinc/08/39/70/1126083970.db2.gz JNVQCIFYBSPTDS-KRWDZBQOSA-N 0 0 440.309 4.171 20 0 IIADRN Cc1c(F)cccc1-c1ccc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])o1 ZINC000426733529 1126084540 /nfs/dbraw/zinc/08/45/40/1126084540.db2.gz YHGZYGDOGRMTJM-HXUWFJFHSA-N 0 0 425.456 4.341 20 0 IIADRN O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000426737025 1126084889 /nfs/dbraw/zinc/08/48/89/1126084889.db2.gz LCFALLYNTOOTSS-AWEZNQCLSA-N 0 0 447.112 4.270 20 0 IIADRN O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000426737026 1126084981 /nfs/dbraw/zinc/08/49/81/1126084981.db2.gz LCFALLYNTOOTSS-CQSZACIVSA-N 0 0 447.112 4.270 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000426759537 1126088615 /nfs/dbraw/zinc/08/86/15/1126088615.db2.gz NGXKLTJFSBLLAR-SFHVURJKSA-N 0 0 439.313 4.106 20 0 IIADRN COc1ccc(Br)cc1C[NH2+][C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000426761133 1126088801 /nfs/dbraw/zinc/08/88/01/1126088801.db2.gz XWSOUJFEWFQLHE-OAHLLOKOSA-N 0 0 443.135 4.006 20 0 IIADRN COc1cc(Br)ccc1C[NH2+][C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000426764864 1126089290 /nfs/dbraw/zinc/08/92/90/1126089290.db2.gz YNHUUVMOJCFLFU-OAHLLOKOSA-N 0 0 443.135 4.006 20 0 IIADRN Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](Cc1cc(C)cc(C)c1)C(=O)[O-] ZINC000426765192 1126089314 /nfs/dbraw/zinc/08/93/14/1126089314.db2.gz KSPOVBOKPJPIER-OAQYLSRUSA-N 0 0 442.357 4.346 20 0 IIADRN COc1cccc(C[C@@H]([NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C(=O)[O-])c1 ZINC000426775305 1126089955 /nfs/dbraw/zinc/08/99/55/1126089955.db2.gz SDAIKGKFQFRVKQ-GOSISDBHSA-N 0 0 447.354 4.367 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(F)cc1Br ZINC000426749246 1126086978 /nfs/dbraw/zinc/08/69/78/1126086978.db2.gz DPLRSQFQGPFVLB-HNNXBMFYSA-N 0 0 431.099 4.136 20 0 IIADRN Cc1cc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])ccc1Br ZINC000426753937 1126087641 /nfs/dbraw/zinc/08/76/41/1126087641.db2.gz MCTNAFKGDIONPV-MRXNPFEDSA-N 0 0 427.136 4.306 20 0 IIADRN CCOc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])cc1OC ZINC000426801496 1126091234 /nfs/dbraw/zinc/09/12/34/1126091234.db2.gz RFFMXGPRHCFZBP-SFHVURJKSA-N 0 0 447.329 4.123 20 0 IIADRN O=C([O-])[C@@H](Cc1ccco1)[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000426812608 1126092232 /nfs/dbraw/zinc/09/22/32/1126092232.db2.gz ZBSSPVVUMBOBIN-LJQANCHMSA-N 0 0 430.298 4.407 20 0 IIADRN O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000426816598 1126092442 /nfs/dbraw/zinc/09/24/42/1126092442.db2.gz PUECNZLOJIETQW-NRFANRHFSA-N 0 0 437.446 4.412 20 0 IIADRN Cn1c2ccc(C(F)(F)F)cc2nc1CN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000675472918 1126105190 /nfs/dbraw/zinc/10/51/90/1126105190.db2.gz GDTPPGVBONNQJS-YJBOKZPZSA-N 0 0 431.380 4.216 20 0 IIADRN Cc1cnn(C[C@H]([NH2+]Cc2cc(C)c(OCc3ccccc3Cl)c(C)c2)C(=O)[O-])c1 ZINC000756386253 1126108615 /nfs/dbraw/zinc/10/86/15/1126108615.db2.gz HDIRFNXRZKUEEB-NRFANRHFSA-N 0 0 427.932 4.284 20 0 IIADRN CC(=O)N(c1nc(CN[C@](C)(CO)Cc2ccccc2F)cs1)c1ccc(F)cc1 ZINC001308117439 1126163424 /nfs/dbraw/zinc/16/34/24/1126163424.db2.gz JZLPLBDDXSQRON-QFIPXVFZSA-N 0 0 431.508 4.189 20 0 IIADRN Cc1cccc(COc2c(C)cc(C[NH2+][C@H](Cn3cc(Cl)cn3)C(=O)[O-])cc2C)c1 ZINC001321112471 1126171007 /nfs/dbraw/zinc/17/10/07/1126171007.db2.gz GTCUWRWZQJLDLZ-OAQYLSRUSA-N 0 0 427.932 4.284 20 0 IIADRN C[C@](CO)(Cc1ccc(Br)cc1)NCc1nnc(-c2cccc(Cl)c2)o1 ZINC001473840381 1126200902 /nfs/dbraw/zinc/20/09/02/1126200902.db2.gz WTRDDWHULPSMDO-LJQANCHMSA-N 0 0 436.737 4.236 20 0 IIADRN Cc1noc([C@@H](C)Sc2nnc3n2c2ccccc2c(=O)n3-c2cccc(C)c2C)n1 ZINC000012523293 526648879 /nfs/dbraw/zinc/64/88/79/526648879.db2.gz FACBQRYYVSHXPD-CQSZACIVSA-N 0 0 432.509 4.195 20 0 IIADRN O=C([O-])[C@@H](c1ccccc1)[NH+]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725240886 557132382 /nfs/dbraw/zinc/13/23/82/557132382.db2.gz KEFFHERUUDLOKN-RUZDIDTESA-N 0 0 442.515 4.379 20 0 IIADRN COc1ccc(C2(CNC(=O)c3ccc(Cn4nc(C)cc4C)cc3)CCOCC2)cc1 ZINC000061193858 563147101 /nfs/dbraw/zinc/14/71/01/563147101.db2.gz AUEYEBDQROSCTM-UHFFFAOYSA-N 0 0 433.552 4.035 20 0 IIADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001164409795 718866575 /nfs/dbraw/zinc/86/65/75/718866575.db2.gz UHBUYMHKCOSYEK-UHFFFAOYSA-N 0 0 447.873 4.125 20 0 IIADRN FC(F)(c1ccnc(Cl)c1)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164416248 718889523 /nfs/dbraw/zinc/88/95/23/718889523.db2.gz CICNBAXGNMKOGA-ZDUSSCGKSA-N 0 0 443.679 4.268 20 0 IIADRN O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2CCCO[C@@H]2C1 ZINC001164419692 718897817 /nfs/dbraw/zinc/89/78/17/718897817.db2.gz IXPZGRQNZAEXMO-DOTOQJQBSA-N 0 0 437.874 4.037 20 0 IIADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2C[C@@H]3OCC(F)(F)[C@@H]3C2)cc1 ZINC001164424296 718927576 /nfs/dbraw/zinc/92/75/76/718927576.db2.gz MVXZRALVOAAMLY-CABCVRRESA-N 0 0 444.812 4.204 20 0 IIADRN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(F)(F)c1cccnc1Cl)CC2 ZINC001164430777 718952067 /nfs/dbraw/zinc/95/20/67/718952067.db2.gz YEQDKCKCZWAYGT-SFHVURJKSA-N 0 0 449.929 4.281 20 0 IIADRN FC(F)(c1c2c(nnc1Cl)CCC2)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164650057 719289963 /nfs/dbraw/zinc/28/99/63/719289963.db2.gz XUPVGWBKSGAOEM-UVBJJODRSA-N 0 0 438.931 4.464 20 0 IIADRN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164650665 719290375 /nfs/dbraw/zinc/29/03/75/719290375.db2.gz ZPVIGGSOYILNAC-LEWSCRJBSA-N 0 0 437.903 4.457 20 0 IIADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645517 719291549 /nfs/dbraw/zinc/29/15/49/719291549.db2.gz JSNKKIIXJFIOAY-BBWFWOEESA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164650643 719292152 /nfs/dbraw/zinc/29/21/52/719292152.db2.gz ZLFJNKIAMIXRKZ-NUJGCVRESA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164645568 719292370 /nfs/dbraw/zinc/29/23/70/719292370.db2.gz KNXJBDKGSPBDHU-AQNXPRMDSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164650333 719293281 /nfs/dbraw/zinc/29/32/81/719293281.db2.gz YZZWLFAMKXAYDE-INMHGKMJSA-N 0 0 430.282 4.281 20 0 IIADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164648678 719293564 /nfs/dbraw/zinc/29/35/64/719293564.db2.gz WCRWLZNZGMXAKL-AABGKKOBSA-N 0 0 446.885 4.176 20 0 IIADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)C[C@@H]2CCCO[C@H]12 ZINC001164651868 719303116 /nfs/dbraw/zinc/30/31/16/719303116.db2.gz MOQNMTHUHKFIIR-CVAIRZPRSA-N 0 0 435.902 4.039 20 0 IIADRN F[C@@H](Oc1ccc(Cl)nc1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164656651 719322989 /nfs/dbraw/zinc/32/29/89/719322989.db2.gz ZIQFFRQKPRQTTR-JOCHJYFZSA-N 0 0 443.910 4.006 20 0 IIADRN F[C@H](Oc1ccc(Cl)nc1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164656652 719323028 /nfs/dbraw/zinc/32/30/28/719323028.db2.gz ZIQFFRQKPRQTTR-QFIPXVFZSA-N 0 0 443.910 4.006 20 0 IIADRN CSc1nc(Cl)cc(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@@H]32)n1 ZINC001164663218 719342236 /nfs/dbraw/zinc/34/22/36/719342236.db2.gz WVRVDMDCGCOXKM-VBQJREDUSA-N 0 0 433.952 4.340 20 0 IIADRN COC(=O)c1cc(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cnc1Cl ZINC001164659157 719342647 /nfs/dbraw/zinc/34/26/47/719342647.db2.gz AJXQAGGTXVPTGX-KSZLIROESA-N 0 0 444.906 4.010 20 0 IIADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@H]21 ZINC001164663193 719343087 /nfs/dbraw/zinc/34/30/87/719343087.db2.gz VZBFWHXYOBZIJR-MDZRGWNJSA-N 0 0 444.906 4.010 20 0 IIADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCO[C@@H]2[C@H](OCC3CCCC3)CC[C@H]21 ZINC001164661676 719343678 /nfs/dbraw/zinc/34/36/78/719343678.db2.gz MLXGRWZXDIBNEC-LMMKCTJWSA-N 0 0 444.906 4.010 20 0 IIADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCO[C@@H]2[C@@H](OCC3CCCC3)CC[C@@H]21 ZINC001164659973 719343702 /nfs/dbraw/zinc/34/37/02/719343702.db2.gz HAHXRFVFGKCMOM-DEYYWGMASA-N 0 0 436.330 4.357 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c(F)cccc31)CC2 ZINC001164663803 719349085 /nfs/dbraw/zinc/34/90/85/719349085.db2.gz MINPASQSCZIKSU-UHFFFAOYSA-N 0 0 442.542 4.464 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)CCCC3)CC2 ZINC001164660653 719355127 /nfs/dbraw/zinc/35/51/27/719355127.db2.gz WMKOLRNWSQFVCQ-UHFFFAOYSA-N 0 0 428.584 4.050 20 0 IIADRN CCc1c(Cl)nnc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1CC ZINC001164673778 719508406 /nfs/dbraw/zinc/50/84/06/719508406.db2.gz RRJYUECSGGJPAQ-UHFFFAOYSA-N 0 0 432.971 4.265 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2ncnc4sc5c(c42)CCC5)CC3)cc1 ZINC001164671564 719520965 /nfs/dbraw/zinc/52/09/65/719520965.db2.gz FYWFQWJVOKZBJY-UHFFFAOYSA-N 0 0 438.572 4.191 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001164676991 719568511 /nfs/dbraw/zinc/56/85/11/719568511.db2.gz UGXDXWFPDXXEBS-UHFFFAOYSA-N 0 0 431.830 4.335 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1cc(Cl)cnc1Cl)C[C@H]2COc1cccnc1 ZINC001164684592 719595784 /nfs/dbraw/zinc/59/57/84/719595784.db2.gz IFRXJTYHIYLSTJ-LBPRGKRZSA-N 0 0 440.281 4.245 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)Sc1ccc(Cl)nc1)C[C@@H]2COc1cccnc1 ZINC001164685755 719600215 /nfs/dbraw/zinc/60/02/15/719600215.db2.gz MFRJXWGDTZEOCN-CYBMUJFWSA-N 0 0 437.903 4.184 20 0 IIADRN Cn1ncc2c1CN(C(F)(F)c1cc(Cl)nc3c1CCC3)C[C@@H]2COc1cccnc1 ZINC001164688577 719601515 /nfs/dbraw/zinc/60/15/15/719601515.db2.gz XXACWYKFAUXYHY-CQSZACIVSA-N 0 0 445.901 4.080 20 0 IIADRN NC(=O)c1ccc(-c2cnc3n2CCC32CCN([C@@H](F)c3ccnc(Cl)c3)CC2)cc1 ZINC001164695013 719830128 /nfs/dbraw/zinc/83/01/28/719830128.db2.gz AJZJJZPZCILUBC-HXUWFJFHSA-N 0 0 439.922 4.103 20 0 IIADRN COC[C@H]1CN(C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)Cc2cn(C)nc21 ZINC001164694090 719833262 /nfs/dbraw/zinc/83/32/62/719833262.db2.gz DPXQVMAGCJHKMT-OAHLLOKOSA-N 0 0 434.874 4.310 20 0 IIADRN COC[C@H]1CN(C(F)(F)c2cc(-c3cccc(C)c3)nnc2Cl)Cc2cn(C)nc21 ZINC001164694669 719833542 /nfs/dbraw/zinc/83/35/42/719833542.db2.gz IBDPFWUPHQJHDA-MRXNPFEDSA-N 0 0 433.890 4.134 20 0 IIADRN O=C1COC2(CCN(C(F)(F)c3ccc(Cl)nc3Cl)CC2)CN1c1ccccc1 ZINC001164693473 719836026 /nfs/dbraw/zinc/83/60/26/719836026.db2.gz BHPRRQWYAZNURP-UHFFFAOYSA-N 0 0 442.293 4.336 20 0 IIADRN Cc1noc([C@]23COC[C@H]2CN(C(F)(F)c2ccc(-c4ccnc(Cl)c4)cc2)C3)n1 ZINC001164805480 720055848 /nfs/dbraw/zinc/05/58/48/720055848.db2.gz OORFUAIBNXCUGT-YLJYHZDGSA-N 0 0 432.858 4.043 20 0 IIADRN Cc1noc([C@]23COC[C@@H]2CN(C(F)(F)c2ccc4nc(Cl)cc(Cl)c4c2)C3)n1 ZINC001164803904 720056566 /nfs/dbraw/zinc/05/65/66/720056566.db2.gz KZKVHLQALBMYBF-KPZWWZAWSA-N 0 0 441.265 4.182 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)cnc2Cl)cs1 ZINC001164816572 720251549 /nfs/dbraw/zinc/25/15/49/720251549.db2.gz KLMWHOQHDAEPSV-GJZGRUSLSA-N 0 0 447.338 4.468 20 0 IIADRN Fc1ccc2nc(C(F)(F)N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc(Cl)c2c1 ZINC001164731017 720378216 /nfs/dbraw/zinc/37/82/16/720378216.db2.gz YAYYIGXZLAYJAM-ROUUACIJSA-N 0 0 433.865 4.215 20 0 IIADRN 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ZINC001164851026 720827518 /nfs/dbraw/zinc/82/75/18/720827518.db2.gz WEWDSJSJDYJATE-CYFREDJKSA-N 0 0 444.645 4.316 20 0 IIADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3OCCC[C@@]3(COC)C2)n1 ZINC001164847024 720828374 /nfs/dbraw/zinc/82/83/74/720828374.db2.gz HPMBBNWMFDOFNJ-MBSDFSHPSA-N 0 0 432.634 4.172 20 0 IIADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C2)CC1 ZINC001164860091 720894962 /nfs/dbraw/zinc/89/49/62/720894962.db2.gz SCTVLSVYLYSWQU-UHFFFAOYSA-N 0 0 446.929 4.383 20 0 IIADRN Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)C[C@@H](NC(=O)c1ccccc1)CCO2 ZINC001164860538 720900335 /nfs/dbraw/zinc/90/03/35/720900335.db2.gz RXUBSZIBEIFBLQ-UWJYYQICSA-N 0 0 435.902 4.146 20 0 IIADRN COc1ccc(C(F)(F)N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)c(Cl)n1 ZINC001164763077 721027888 /nfs/dbraw/zinc/02/78/88/721027888.db2.gz JZOTUUCLVROAEQ-UZLBHIALSA-N 0 0 439.890 4.028 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001164862702 721034454 /nfs/dbraw/zinc/03/44/54/721034454.db2.gz 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ZINC001164778651 721326523 /nfs/dbraw/zinc/32/65/23/721326523.db2.gz XWXSVVYHRWLPHT-CQSZACIVSA-N 0 0 427.854 4.329 20 0 IIADRN O=C(CC1CCC2(CC1)CCN(C(F)(F)Oc1cnc(Cl)cn1)CC2)N1CC=CC1 ZINC001164777971 721328749 /nfs/dbraw/zinc/32/87/49/721328749.db2.gz RNTCRHZORULQIH-UHFFFAOYSA-N 0 0 440.922 4.120 20 0 IIADRN Cc1ccc(C(F)(F)N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)nc1Cl ZINC001164874711 721328909 /nfs/dbraw/zinc/32/89/09/721328909.db2.gz IKBGTIUZUWPGKB-UHFFFAOYSA-N 0 0 426.920 4.178 20 0 IIADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2nc3ccsc3c(Cl)n2)N1c1ccsc1 ZINC001164885149 721354933 /nfs/dbraw/zinc/35/49/33/721354933.db2.gz WXNTVIWMYAREBJ-VXGBXAGGSA-N 0 0 426.901 4.335 20 0 IIADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cc(-c3ccco3)nnc2Cl)N1c1ccsc1 ZINC001164881274 721358627 /nfs/dbraw/zinc/35/86/27/721358627.db2.gz AVBJNLJFYPLCEN-CABCVRRESA-N 0 0 436.871 4.381 20 0 IIADRN O=C1CO[C@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@@H]2N1c1cccc(F)c1 ZINC001164882442 721364889 /nfs/dbraw/zinc/36/48/89/721364889.db2.gz JIYFDWGQIZMRKT-ROUUACIJSA-N 0 0 447.844 4.193 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3c(C)nc(C4CC4)nc3Cl)C2)C1 ZINC001164787691 721368530 /nfs/dbraw/zinc/36/85/30/721368530.db2.gz ZJCWODITMOXPLD-QHCPKHFHSA-N 0 0 445.995 4.040 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164782424 721383718 /nfs/dbraw/zinc/38/37/18/721383718.db2.gz LRCDTQJVOJRTST-PXNSSMCTSA-N 0 0 439.890 4.147 20 0 IIADRN Fc1cc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COCc3ccncc3)C2)cnc1Cl ZINC001164779318 721384266 /nfs/dbraw/zinc/38/42/66/721384266.db2.gz AHDGHSBBPQKMOW-OXQOHEQNSA-N 0 0 441.881 4.406 20 0 IIADRN FC(F)(Oc1ccnc(Cl)c1)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164786985 721386777 /nfs/dbraw/zinc/38/67/77/721386777.db2.gz WLCBTNHVYYJIKL-PXNSSMCTSA-N 0 0 439.890 4.147 20 0 IIADRN COc1ccc(-c2csc3ncnc(N4C[C@H]5CN(Cc6nccs6)C[C@@H]5C4)c23)cc1 ZINC001164788221 721424813 /nfs/dbraw/zinc/42/48/13/721424813.db2.gz SKACVVCWWVXIHJ-IAGOWNOFSA-N 0 0 449.605 4.392 20 0 IIADRN c1csc(CN2C[C@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@@H]3C2)n1 ZINC001164782775 721435251 /nfs/dbraw/zinc/43/52/51/721435251.db2.gz IBJAZARBCFNNGL-PMACEKPBSA-N 0 0 443.576 4.234 20 0 IIADRN Fc1cccc(Oc2nc(Cl)ncc2N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1 ZINC001164780872 721436868 /nfs/dbraw/zinc/43/68/68/721436868.db2.gz AWCNEJVSOMHNFZ-OKILXGFUSA-N 0 0 431.924 4.086 20 0 IIADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4ccnc(Cl)c4F)C3)C2=O)cs1 ZINC001164892024 721460719 /nfs/dbraw/zinc/46/07/19/721460719.db2.gz VUDPHEUXVOLWLQ-GOSISDBHSA-N 0 0 444.910 4.203 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)CC[C@H]21 ZINC001164894774 721464429 /nfs/dbraw/zinc/46/44/29/721464429.db2.gz YNYRKXXJGJXDCX-IAGOWNOFSA-N 0 0 434.918 4.425 20 0 IIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)CC[C@@H]21 ZINC001164891818 721466776 /nfs/dbraw/zinc/46/67/76/721466776.db2.gz OMZIIYFZJUODKO-LPHOPBHVSA-N 0 0 434.918 4.425 20 0 IIADRN Cc1ccc(C(F)(F)N2Cc3nccn3C[C@H](COCc3ccccn3)C2)nc1Cl ZINC001164888165 721469304 /nfs/dbraw/zinc/46/93/04/721469304.db2.gz DSMCZHNNOHPCKP-INIZCTEOSA-N 0 0 433.890 4.033 20 0 IIADRN Fc1cccnc1OC[C@]12COC[C@@H]1CN(C(F)(F)c1ccc3c(ccnc3Cl)c1)C2 ZINC001164792738 721488370 /nfs/dbraw/zinc/48/83/70/721488370.db2.gz LELKJLGFIJCKGK-KKSFZXQISA-N 0 0 449.860 4.499 20 0 IIADRN Fc1cccnc1OC[C@@]12COC[C@@H]1CN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164793128 721488517 /nfs/dbraw/zinc/48/85/17/721488517.db2.gz OALDQFSLLUDWIM-MGPUTAFESA-N 0 0 439.865 4.223 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCC3(C[C@H](C(=O)NC4CCC4)CO3)CC2)c1 ZINC001164897431 721489972 /nfs/dbraw/zinc/48/99/72/721489972.db2.gz CYEXYIIRNZGIFT-ZDUSSCGKSA-N 0 0 445.963 4.046 20 0 IIADRN CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@@H]3C2)c(Cl)n1 ZINC001164901899 721498787 /nfs/dbraw/zinc/49/87/87/721498787.db2.gz XGOZYMONKLIUKX-HDMKZQKVSA-N 0 0 428.907 4.488 20 0 IIADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164899447 721500323 /nfs/dbraw/zinc/50/03/23/721500323.db2.gz YPAFPGGGCFRJCY-HNNXBMFYSA-N 0 0 436.330 4.081 20 0 IIADRN O=C1CCC2(CCN(C(F)(F)c3ccc(Cl)nc3Cl)CC2)N1Cc1ccncc1 ZINC001164896032 721506206 /nfs/dbraw/zinc/50/62/06/721506206.db2.gz GRYUTQHCZCBARR-UHFFFAOYSA-N 0 0 441.309 4.490 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164810584 721529036 /nfs/dbraw/zinc/52/90/36/721529036.db2.gz XHPPJAHDIUQPHD-LZLYRXPVSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164804473 721529913 /nfs/dbraw/zinc/52/99/13/721529913.db2.gz JYSRCECGQRWYDD-FCEWJHQRSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)cnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164802562 721532378 /nfs/dbraw/zinc/53/23/78/721532378.db2.gz HAFXZUXRZBZJCO-RCCFBDPRSA-N 0 0 443.325 4.197 20 0 IIADRN C[C@@H]1CCc2c(sc3ncnc(N4C[C@H](N(C)Cc5cccnc5)[C@@H]5OCCC[C@@H]54)c32)C1 ZINC001164807214 721552587 /nfs/dbraw/zinc/55/25/87/721552587.db2.gz QNRCZNKHTTXRJA-KNLNXMFASA-N 0 0 449.624 4.079 20 0 IIADRN CN(C)C(=O)[C@@H]1CC12CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)CC2 ZINC001164909161 721569798 /nfs/dbraw/zinc/56/97/98/721569798.db2.gz SGFKLPJAVVNYTO-ZDUSSCGKSA-N 0 0 429.298 4.176 20 0 IIADRN Cc1cccc(Sc2cncc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)n2)c1 ZINC001164807413 721570233 /nfs/dbraw/zinc/57/02/33/721570233.db2.gz TTZWGPOEADUUIN-HWBMXIPRSA-N 0 0 447.608 4.199 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc3c(Cl)cccc3nc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164810837 721588293 /nfs/dbraw/zinc/58/82/93/721588293.db2.gz WKJOTHBJYHTWSU-GGPKGHCWSA-N 0 0 444.366 4.200 20 0 IIADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)c2nc4[nH]cnc4c(Cl)n2)C3)c1 ZINC001164802873 721601493 /nfs/dbraw/zinc/60/14/93/721601493.db2.gz STFHCLRPZKJFBP-FOIQADDNSA-N 0 0 448.905 4.030 20 0 IIADRN COc1nnc(Cl)cc1C(F)(F)N1C[C@H]2CCC[C@]2(COCc2cncc(C)c2)C1 ZINC001164803440 721601907 /nfs/dbraw/zinc/60/19/07/721601907.db2.gz UOWXMFXGUIWWHR-OXQOHEQNSA-N 0 0 438.906 4.210 20 0 IIADRN FC(F)(c1cccc2ccnc(Cl)c21)N1CCOC[C@@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164806538 721607870 /nfs/dbraw/zinc/60/78/70/721607870.db2.gz TWOCKMVPZCNBEO-LAUBAEHRSA-N 0 0 448.901 4.084 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C(=O)OC(C)(C)C)cn1)C2 ZINC001164911414 721754644 /nfs/dbraw/zinc/75/46/44/721754644.db2.gz VKPNLLNWDHSAJV-UHFFFAOYSA-N 0 0 434.540 4.220 20 0 IIADRN COc1cc2ccc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)nc2cc1OC ZINC001164911871 721757187 /nfs/dbraw/zinc/75/71/87/721757187.db2.gz ZZIUORRNZBOXFB-UHFFFAOYSA-N 0 0 444.535 4.435 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1nc2ccccc2nc1Cl ZINC001165014214 721771084 /nfs/dbraw/zinc/77/10/84/721771084.db2.gz AZBWCEBUGLSBOS-BBRMVZONSA-N 0 0 432.858 4.162 20 0 IIADRN Cc1cc(C(F)(F)N2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)cc(Cl)n1 ZINC001164916791 721808727 /nfs/dbraw/zinc/80/87/27/721808727.db2.gz JLUKYJAIHAJPMV-DHSIGJKJSA-N 0 0 429.920 4.245 20 0 IIADRN Cc1ccc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)nc1Cl ZINC001164918650 721810207 /nfs/dbraw/zinc/81/02/07/721810207.db2.gz SLRNWQRXGMPSNN-JJRVBVJISA-N 0 0 429.920 4.245 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2ccc3ccc(Cl)nc3c2)CC1 ZINC001164916771 721815118 /nfs/dbraw/zinc/81/51/18/721815118.db2.gz GHHJCUOLQWAZEJ-UHFFFAOYSA-N 0 0 431.918 4.379 20 0 IIADRN Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2cc(Cl)nc3c2CCCCC3)CC1 ZINC001164919116 721822007 /nfs/dbraw/zinc/82/20/07/721822007.db2.gz MRPZGFFFSDGTSR-UHFFFAOYSA-N 0 0 449.977 4.495 20 0 IIADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2cc(C)nc(Cl)n2)CC1 ZINC001165023440 721839802 /nfs/dbraw/zinc/83/98/02/721839802.db2.gz XJJNVFZABGAVAI-UHFFFAOYSA-N 0 0 440.922 4.101 20 0 IIADRN CN1C(=O)CC[C@H]2[C@@H]1CCN2C(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001164930450 721892469 /nfs/dbraw/zinc/89/24/69/721892469.db2.gz BSRATFAUKBJVLL-STQMWFEESA-N 0 0 435.689 4.334 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1cccc3c(Cl)ncnc31)C2 ZINC001164935004 721910861 /nfs/dbraw/zinc/91/08/61/721910861.db2.gz CGVVYESTONNLFD-CJNGLKHVSA-N 0 0 446.860 4.318 20 0 IIADRN COc1cc(C(F)(F)N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)cc(Cl)n1 ZINC001164942419 721965418 /nfs/dbraw/zinc/96/54/18/721965418.db2.gz BRXJRMUZTQDCNP-NQIIRXRSSA-N 0 0 435.902 4.057 20 0 IIADRN F[C@]1(N2CCn3cccc3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001165051486 721991236 /nfs/dbraw/zinc/99/12/36/721991236.db2.gz HMOIWNGPLICIRU-NRFANRHFSA-N 0 0 432.330 4.239 20 0 IIADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCN(CCc2ccccn2)CC1 ZINC001165054883 722017930 /nfs/dbraw/zinc/01/79/30/722017930.db2.gz HYEKEQBOGFPLIH-UHFFFAOYSA-N 0 0 429.902 4.102 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cc(Cl)ncc1Cl ZINC001164965070 722027901 /nfs/dbraw/zinc/02/79/01/722027901.db2.gz ZOBPVQPCKSAQIJ-FMKPAKJESA-N 0 0 434.245 4.283 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1ccnc(Cl)c1Cl ZINC001164965017 722028100 /nfs/dbraw/zinc/02/81/00/722028100.db2.gz ZATDWUDDPIODQD-GZBFAFLISA-N 0 0 434.245 4.283 20 0 IIADRN CSc1ccc(C(F)(F)N2CCO[C@@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)nc1Cl ZINC001164957892 722028908 /nfs/dbraw/zinc/02/89/08/722028908.db2.gz NRTUIHUKJATLFG-ZENOOKHLSA-N 0 0 445.894 4.351 20 0 IIADRN O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001164956306 722033427 /nfs/dbraw/zinc/03/34/27/722033427.db2.gz DMEGRSODJVCXFX-UGKGYDQZSA-N 0 0 442.897 4.361 20 0 IIADRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)C3)CC2=O)s1 ZINC001164957895 722044127 /nfs/dbraw/zinc/04/41/27/722044127.db2.gz CMFDAFVSCXAQES-KRWDZBQOSA-N 0 0 447.338 4.418 20 0 IIADRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4cnc5c(Cl)ncnc5c4)C3)CC2=O)s1 ZINC001164964879 722044143 /nfs/dbraw/zinc/04/41/43/722044143.db2.gz VXANCMFDYCFMJB-LJQANCHMSA-N 0 0 449.914 4.226 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C[C@@H]21 ZINC001164957037 722048803 /nfs/dbraw/zinc/04/88/03/722048803.db2.gz HBQHBFUMBKAAAI-YJBOKZPZSA-N 0 0 444.869 4.286 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2ccc(Cl)nc2)[C@@H]3C)c1 ZINC001164966295 722062795 /nfs/dbraw/zinc/06/27/95/722062795.db2.gz PZNCCVNAVRRQGX-OAHLLOKOSA-N 0 0 433.890 4.478 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN([C@H](F)Oc2cccc(Cl)n2)[C@@H]3C)c1 ZINC001164966468 722063251 /nfs/dbraw/zinc/06/32/51/722063251.db2.gz UOFGBHLARAULPW-VFNWGFHPSA-N 0 0 431.899 4.060 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc(N)cc(Cl)n2)[C@@H]3C)c1 ZINC001164966932 722063257 /nfs/dbraw/zinc/06/32/57/722063257.db2.gz ZNCULGPAOVRHLU-CQSZACIVSA-N 0 0 448.905 4.060 20 0 IIADRN O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccc2ccnc(Cl)c2c1 ZINC001164966650 722064406 /nfs/dbraw/zinc/06/44/06/722064406.db2.gz WKTWEJMVJGXSIU-SJORKVTESA-N 0 0 434.899 4.383 20 0 IIADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001164967719 722078424 /nfs/dbraw/zinc/07/84/24/722078424.db2.gz KIVPUFXTKPEVER-UHFFFAOYSA-N 0 0 442.897 4.287 20 0 IIADRN CC(=O)N1CCC[C@]2(C1)CN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)CCO2 ZINC001164968563 722084363 /nfs/dbraw/zinc/08/43/63/722084363.db2.gz DRZFZNUMWYQDHV-IBGZPJMESA-N 0 0 441.931 4.226 20 0 IIADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C[C@H]2C1 ZINC001164975733 722084710 /nfs/dbraw/zinc/08/47/10/722084710.db2.gz UMDPUPZCDRPBLO-CHWSQXEVSA-N 0 0 438.881 4.098 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@H]21 ZINC001164985388 722096869 /nfs/dbraw/zinc/09/68/69/722096869.db2.gz YXZMGZNERZNLRR-HBUWYVDXSA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3ccnc(Cl)c3Cl)C[C@@H]21 ZINC001164977942 722097132 /nfs/dbraw/zinc/09/71/32/722097132.db2.gz IPSVNOYLPNICOA-JKIFEVAISA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@@H]21 ZINC001164984697 722098307 /nfs/dbraw/zinc/09/83/07/722098307.db2.gz TZFKVMTUINHTSO-WSTZPKSXSA-N 0 0 446.929 4.401 20 0 IIADRN O=C1CC2(CCN(C(F)(F)c3nccc(Cl)n3)CC2)c2ccccc2N1CC1CC1 ZINC001164972251 722160791 /nfs/dbraw/zinc/16/07/91/722160791.db2.gz HPLGGXRSBSCPLU-UHFFFAOYSA-N 0 0 432.902 4.360 20 0 IIADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C2)C1=O ZINC001164983148 722162673 /nfs/dbraw/zinc/16/26/73/722162673.db2.gz YGHOIDNQVNAQOF-QFIPXVFZSA-N 0 0 440.881 4.466 20 0 IIADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C2)C1=O ZINC001164983101 722162797 /nfs/dbraw/zinc/16/27/97/722162797.db2.gz XTRVSJIRDZALBL-QFIPXVFZSA-N 0 0 440.881 4.466 20 0 IIADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cc(-c4ccco4)nnc3Cl)C2)C1=O ZINC001164982477 722162867 /nfs/dbraw/zinc/16/28/67/722162867.db2.gz VTQAYWJSKKYRDB-FQEVSTJZSA-N 0 0 430.842 4.059 20 0 IIADRN FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1C[C@@H]2c3ccccc3[C@@H](OCC3CC3)[C@@H]2C1 ZINC001164979641 722171292 /nfs/dbraw/zinc/17/12/92/722171292.db2.gz VDLCKIKQGAQCSD-BFYDXBDKSA-N 0 0 431.874 4.204 20 0 IIADRN CN(C)c1cc(C(F)(F)N2C[C@H]3[C@H](C2)c2ccccc2[C@H]3OCC2CC2)nc(Cl)n1 ZINC001164978667 722171656 /nfs/dbraw/zinc/17/16/56/722171656.db2.gz ROUCUYFLBILOND-FUHIMQAGSA-N 0 0 434.918 4.442 20 0 IIADRN COc1ccc2nc(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)c(C)cc2c1 ZINC001164983566 722174303 /nfs/dbraw/zinc/17/43/03/722174303.db2.gz BIXUNXYFECDUAV-PKTZIBPZSA-N 0 0 438.597 4.187 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5sc(C(C)C)cc54)CC[C@@H]32)cs1 ZINC001164987268 722174356 /nfs/dbraw/zinc/17/43/56/722174356.db2.gz NIHMZUOTFXHJGL-OALUTQOASA-N 0 0 443.642 4.449 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5c(C)cccc54)CC[C@@H]32)cs1 ZINC001164991928 722179312 /nfs/dbraw/zinc/17/93/12/722179312.db2.gz ZFEANLYWZBHVNI-OALUTQOASA-N 0 0 444.004 4.226 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4nc(Cl)ccc4F)CC[C@@H]32)cs1 ZINC001164994507 722181136 /nfs/dbraw/zinc/18/11/36/722181136.db2.gz YYFIAXJOYMJUIL-HOTGVXAUSA-N 0 0 446.926 4.054 20 0 IIADRN COc1ccc2nc(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)cc(C)c2c1 ZINC001164994576 722181730 /nfs/dbraw/zinc/18/17/30/722181730.db2.gz ZJWNXAWLMNEYPE-GOTSBHOMSA-N 0 0 438.597 4.187 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C5CCC5)nc(Cl)c4C)CC[C@@H]32)cs1 ZINC001164993403 722186430 /nfs/dbraw/zinc/18/64/30/722186430.db2.gz ZJWFHSQEQNIUNU-RBUKOAKNSA-N 0 0 448.036 4.341 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C5CCC5)nc(Cl)c4C)CC[C@H]32)cs1 ZINC001164993396 722186435 /nfs/dbraw/zinc/18/64/35/722186435.db2.gz ZJWFHSQEQNIUNU-MOPGFXCFSA-N 0 0 448.036 4.341 20 0 IIADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(SC)cnc1Cl)CC2 ZINC001164990291 722187678 /nfs/dbraw/zinc/18/76/78/722187678.db2.gz LFOAMPWOKUSCDA-MRXNPFEDSA-N 0 0 447.979 4.103 20 0 IIADRN Fc1cccc(CN2CC[C@@]23CCCN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)C3)c1 ZINC001164994933 722205857 /nfs/dbraw/zinc/20/58/57/722205857.db2.gz JVBVSEAEFXNNEN-GOSISDBHSA-N 0 0 428.911 4.348 20 0 IIADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)c1cncc(Cl)n1)CC2 ZINC001164999942 722221677 /nfs/dbraw/zinc/22/16/77/722221677.db2.gz UKLDRMVMRSDAQB-LJQANCHMSA-N 0 0 432.902 4.255 20 0 IIADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cc(Cl)cnc2Cl)n1 ZINC001165000050 722226146 /nfs/dbraw/zinc/22/61/46/722226146.db2.gz PLQIAWGPOXDQAT-CQSZACIVSA-N 0 0 432.302 4.147 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2ccc(Cl)nc2Cl)n1 ZINC001164999080 722226202 /nfs/dbraw/zinc/22/62/02/722226202.db2.gz IAWNCVQGCLNFAV-ZDUSSCGKSA-N 0 0 432.302 4.147 20 0 IIADRN CC(C)CN1c2ccccc2[C@@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)CC[C@H]21 ZINC001165004019 722245220 /nfs/dbraw/zinc/24/52/20/722245220.db2.gz MMEMXFBDZUKBNE-FUHWJXTLSA-N 0 0 434.918 4.217 20 0 IIADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001165001141 722247613 /nfs/dbraw/zinc/24/76/13/722247613.db2.gz MVMKTRLDUTUKLN-UHFFFAOYSA-N 0 0 440.237 4.131 20 0 IIADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1cnc(Cl)c(Cl)c1)CCO2 ZINC001164999789 722248499 /nfs/dbraw/zinc/24/84/99/722248499.db2.gz CGTLEQZPYUHABF-GOSISDBHSA-N 0 0 446.281 4.038 20 0 IIADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1ccc(Cl)nc1Cl)CCO2 ZINC001164999837 722248576 /nfs/dbraw/zinc/24/85/76/722248576.db2.gz CZZGQNPUQCOWMZ-GOSISDBHSA-N 0 0 446.281 4.038 20 0 IIADRN FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001165005220 722271931 /nfs/dbraw/zinc/27/19/31/722271931.db2.gz FXLBCGSPUAWNTQ-JKSUJKDBSA-N 0 0 433.890 4.119 20 0 IIADRN FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001165005218 722271946 /nfs/dbraw/zinc/27/19/46/722271946.db2.gz FXLBCGSPUAWNTQ-HOTGVXAUSA-N 0 0 433.890 4.119 20 0 IIADRN O=C([O-])[C@]1(NC(=O)CCc2ccc(-c3ccccc3)o2)CCC[N@H+](Cc2ccccc2)C1 ZINC001123372823 939823546 /nfs/dbraw/zinc/82/35/46/939823546.db2.gz WLKSJDPCCWCILU-SANMLTNESA-N 0 0 432.520 4.115 20 0 IIADRN COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c2)cc1 ZINC000426648109 1126081165 /nfs/dbraw/zinc/08/11/65/1126081165.db2.gz RLFUINUGWXATHL-XMMPIXPASA-N 0 0 443.503 4.214 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000426660467 1126081316 /nfs/dbraw/zinc/08/13/16/1126081316.db2.gz OUQPXULTPIZURJ-NRFANRHFSA-N 0 0 442.441 4.217 20 0 IIADRN COc1ccc(C[NH2+][C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])c(Br)c1O ZINC000426737097 1126084984 /nfs/dbraw/zinc/08/49/84/1126084984.db2.gz LUWTZALBRQOTCG-ZDUSSCGKSA-N 0 0 449.128 4.256 20 0 IIADRN CC1(C)Cc2cccc(C[NH2+][C@H](Cc3c[nH]c4cccc(Br)c34)C(=O)[O-])c2O1 ZINC000426758924 1126088303 /nfs/dbraw/zinc/08/83/03/1126088303.db2.gz URIVFALTFIDKPK-GOSISDBHSA-N 0 0 443.341 4.429 20 0 IIADRN COc1cccc(C[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C(=O)[O-])c1 ZINC000426781026 1126090100 /nfs/dbraw/zinc/09/01/00/1126090100.db2.gz XLMXKGKBEYRHNE-JOCHJYFZSA-N 0 0 438.911 4.386 20 0 IIADRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000426749813 1126087001 /nfs/dbraw/zinc/08/70/01/1126087001.db2.gz ITCLNKNLQDRMDP-SFHVURJKSA-N 0 0 425.451 4.104 20 0 IIADRN O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000426749976 1126087018 /nfs/dbraw/zinc/08/70/18/1126087018.db2.gz JVLHUNBMAGROSQ-QHCPKHFHSA-N 0 0 430.533 4.204 20 0 IIADRN COc1cc(C[NH2+][C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])ccc1OCC(F)(F)F ZINC000426817775 1126092347 /nfs/dbraw/zinc/09/23/47/1126092347.db2.gz UINKHGPKUTVNNC-KRWDZBQOSA-N 0 0 440.393 4.042 20 0 IIADRN CC[C@H](C)Oc1cc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])ccc1OC ZINC000683174651 1126106222 /nfs/dbraw/zinc/10/62/22/1126106222.db2.gz WCWMIWRMQULURB-KBXCAEBGSA-N 0 0 436.346 4.421 20 0 IIADRN CC[C@H](C)Oc1cc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])ccc1OC ZINC000683174653 1126106379 /nfs/dbraw/zinc/10/63/79/1126106379.db2.gz WCWMIWRMQULURB-KSSFIOAISA-N 0 0 436.346 4.421 20 0 IIADRN CC(=O)N(c1nc(CN[C@@](C)(CO)Cc2ccccc2F)cs1)c1ccc(F)cc1 ZINC001308117438 1126163298 /nfs/dbraw/zinc/16/32/98/1126163298.db2.gz JZLPLBDDXSQRON-JOCHJYFZSA-N 0 0 431.508 4.189 20 0 IIADRN Cc1ccc(C)c(-n2c3nnc(SC[C@@H](O)c4ccccc4)n3c3ccccc3c2=O)c1 ZINC000015243307 526257161 /nfs/dbraw/zinc/25/71/61/526257161.db2.gz OOZCUDLRWLNPOU-JOCHJYFZSA-N 0 0 442.544 4.476 20 0 IIADRN COc1ccc2c(c1)c(CC(=O)Nc1cnccn1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000012352451 562981249 /nfs/dbraw/zinc/98/12/49/562981249.db2.gz CEPZNNZVYRWCJD-UHFFFAOYSA-N 0 0 434.883 4.271 20 0 IIADRN O=C(NCCN1CCN(c2ccccc2)CC1)c1cc(Br)c2ccccc2c1 ZINC000028768472 563064204 /nfs/dbraw/zinc/06/42/04/563064204.db2.gz MPSBVAIRNBRYCN-UHFFFAOYSA-N 0 0 438.369 4.154 20 0 IIADRN OCC[C@@H]1CC12CCN(C(F)(F)Oc1cccc(COc3cncc(Cl)n3)c1)CC2 ZINC001164390606 718811945 /nfs/dbraw/zinc/81/19/45/718811945.db2.gz AMQNSHKEBPYFAY-MRXNPFEDSA-N 0 0 439.890 4.123 20 0 IIADRN O=C1c2ccccc2[C@H]2CN(c3nc(Cl)nc4c3CN(Cc3ccccc3)CC4)C[C@@H]12 ZINC001164400019 718846268 /nfs/dbraw/zinc/84/62/68/718846268.db2.gz NLTYESJWVAHLSJ-WOJBJXKFSA-N 0 0 430.939 4.105 20 0 IIADRN Cc1sc2nc(CN3CCCCC3)nc(N3C[C@H]4c5ccccc5NC(=O)[C@@H]4C3)c2c1C ZINC001164401473 718858340 /nfs/dbraw/zinc/85/83/40/718858340.db2.gz FDPOKPRTZWZNKC-RBUKOAKNSA-N 0 0 447.608 4.466 20 0 IIADRN COc1ccc2nc(C(F)(F)N3C[C@@H]4C(=O)Nc5ccccc5[C@@H]4C3)nc(Cl)c2c1 ZINC001164401487 718858633 /nfs/dbraw/zinc/85/86/33/718858633.db2.gz FIGHQEOZFFYZOL-GJZGRUSLSA-N 0 0 430.842 4.009 20 0 IIADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)C2 ZINC001164408913 718867008 /nfs/dbraw/zinc/86/70/08/718867008.db2.gz NXTXLVFVDCVLHZ-UHFFFAOYSA-N 0 0 447.873 4.125 20 0 IIADRN FC(F)(c1cccc(Cl)n1)N1CCO[C@H](c2ncn3c2cccc3Br)C1 ZINC001164419793 718889629 /nfs/dbraw/zinc/88/96/29/718889629.db2.gz RCQGOEDWDMMJDJ-LBPRGKRZSA-N 0 0 443.679 4.268 20 0 IIADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2C[C@@H]3[C@@H](C2)OCC3(F)F)c2ccccc21 ZINC001164426131 718926543 /nfs/dbraw/zinc/92/65/43/718926543.db2.gz WWXFFIHDPQIDRT-GDBMZVCRSA-N 0 0 440.828 4.304 20 0 IIADRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)C2 ZINC001164431836 718982415 /nfs/dbraw/zinc/98/24/15/718982415.db2.gz BVVTXAWGJRUEMC-XLIONFOSSA-N 0 0 428.907 4.097 20 0 IIADRN Cc1ncc2n1CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CC[C@@H](C)C4)C2 ZINC001164439024 718992390 /nfs/dbraw/zinc/99/23/90/718992390.db2.gz AQPQVJMSJLMTBX-MRXNPFEDSA-N 0 0 436.629 4.327 20 0 IIADRN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164650666 719290269 /nfs/dbraw/zinc/29/02/69/719290269.db2.gz ZPVIGGSOYILNAC-ZLKJLUDKSA-N 0 0 437.903 4.457 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164645482 719292414 /nfs/dbraw/zinc/29/24/14/719292414.db2.gz JFRNLULZLBEJAA-DYXWJJEUSA-N 0 0 446.885 4.176 20 0 IIADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164646482 719293422 /nfs/dbraw/zinc/29/34/22/719293422.db2.gz OAVJIPVSZDCHMS-AOIWGVFYSA-N 0 0 434.874 4.109 20 0 IIADRN Clc1ccc(OC(Cl)(Cl)N2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)cn1 ZINC001164654343 719295658 /nfs/dbraw/zinc/29/56/58/719295658.db2.gz RHYNKMJEMRUVRN-BQFCYCMXSA-N 0 0 444.746 4.046 20 0 IIADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(-c5ccccc5)nnc4Cl)C[C@H]3O2)n1 ZINC001164652481 719300819 /nfs/dbraw/zinc/30/08/19/719300819.db2.gz NBMCIMXRWNTDES-JCGIZDLHSA-N 0 0 447.873 4.390 20 0 IIADRN Cc1noc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(-c5ccccc5)nnc4Cl)C[C@H]3O2)n1 ZINC001164652479 719300860 /nfs/dbraw/zinc/30/08/60/719300860.db2.gz NBMCIMXRWNTDES-FHLIZLRMSA-N 0 0 447.873 4.390 20 0 IIADRN CC(C)n1nc(CN(C)C)c2c1CN(c1cnc(Cl)nc1Oc1ccccc1F)CC2 ZINC001164654521 719317413 /nfs/dbraw/zinc/31/74/13/719317413.db2.gz QVVQMOLUVKQSNX-UHFFFAOYSA-N 0 0 444.942 4.463 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc(C)c1C)CC2 ZINC001164661385 719345180 /nfs/dbraw/zinc/34/51/80/719345180.db2.gz KSVYAUUZHMRQQT-UHFFFAOYSA-N 0 0 436.991 4.442 20 0 IIADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3c(nn1)CC[C@@H](C)C3)CC2 ZINC001164659677 719355559 /nfs/dbraw/zinc/35/55/59/719355559.db2.gz ROTTWOFNEBCHFQ-HXUWFJFHSA-N 0 0 442.611 4.296 20 0 IIADRN CCn1nnc2c1[C@H](COC)CN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164665551 719360688 /nfs/dbraw/zinc/36/06/88/719360688.db2.gz YWNWXHPMTQURKE-INIZCTEOSA-N 0 0 433.890 4.309 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(C(F)(F)Oc2cccnc2Cl)CC3)cc1 ZINC001164672313 719499438 /nfs/dbraw/zinc/49/94/38/719499438.db2.gz JXSUMAQAUMQPKO-UHFFFAOYSA-N 0 0 441.881 4.170 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2nc(Cl)nc4cccc(F)c42)CC3)cc1 ZINC001164673065 719501530 /nfs/dbraw/zinc/50/15/30/719501530.db2.gz MUMYATALICVGQS-UHFFFAOYSA-N 0 0 444.913 4.433 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2ccc4cc(Cl)cnc4n2)CC3)cc1 ZINC001164672164 719503674 /nfs/dbraw/zinc/50/36/74/719503674.db2.gz GKDKTLYUBMZFIO-UHFFFAOYSA-N 0 0 426.923 4.294 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2cc(OCc4ccccc4)cnn2)CC3)cc1 ZINC001164673376 719512805 /nfs/dbraw/zinc/51/28/05/719512805.db2.gz QSGQYSAJWMMSQI-UHFFFAOYSA-N 0 0 448.542 4.066 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2ncc(F)c(-c4ccsc4)n2)CC3)cc1 ZINC001164677329 719531356 /nfs/dbraw/zinc/53/13/56/719531356.db2.gz CPSSHVAYHIQPAK-UHFFFAOYSA-N 0 0 442.535 4.355 20 0 IIADRN Fc1ccc(CN2CCOCC23CCN(c2nc(C4CCC4)nc4[nH]ccc42)CC3)cc1 ZINC001164678567 719533437 /nfs/dbraw/zinc/53/34/37/719533437.db2.gz LTVJDIKCMLBDBT-UHFFFAOYSA-N 0 0 435.547 4.236 20 0 IIADRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2ccc3c(ccnc3Cl)c2)N1Cc1cccnc1 ZINC001164691109 719772869 /nfs/dbraw/zinc/77/28/69/719772869.db2.gz LOQRPJQRDALDMO-RTBURBONSA-N 0 0 428.870 4.208 20 0 IIADRN Cc1noc([C@]23COC[C@H]2CN(C(F)(F)c2cnc(Cl)c(-c4cccs4)c2)C3)n1 ZINC001164807411 720065388 /nfs/dbraw/zinc/06/53/88/720065388.db2.gz FKMGOIMASPPTMG-FZKQIMNGSA-N 0 0 438.887 4.104 20 0 IIADRN CCO[C@@H]1CN(c2nc(CN(C)C)nc3scc(-c4ccccc4)c32)[C@H]2CCCO[C@@H]12 ZINC001164711559 720065580 /nfs/dbraw/zinc/06/55/80/720065580.db2.gz IKDZGEQQPNPNPX-NNMXDRDESA-N 0 0 438.597 4.193 20 0 IIADRN CCO[C@@H]1CN(C(F)(F)c2cc(-c3ccccc3OC)nnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164713658 720066646 /nfs/dbraw/zinc/06/66/46/720066646.db2.gz OLEAJPGOPZLMEF-QXAKKESOSA-N 0 0 439.890 4.123 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)cnc2Cl)cs1 ZINC001164816570 720250750 /nfs/dbraw/zinc/25/07/50/720250750.db2.gz KLMWHOQHDAEPSV-CABCVRRESA-N 0 0 447.338 4.468 20 0 IIADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(C)cc(Cl)n2)cs1 ZINC001164817108 720255817 /nfs/dbraw/zinc/25/58/17/720255817.db2.gz OWTCKALHMRDHPH-HUUCEWRRSA-N 0 0 426.920 4.123 20 0 IIADRN O=C1N(CC2CC2)CC[C@]12CCCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001164819836 720278708 /nfs/dbraw/zinc/27/87/08/720278708.db2.gz SKTGFUIYYPTUJN-FQEVSTJZSA-N 0 0 438.881 4.196 20 0 IIADRN O=C1N(CC2CC2)CC[C@]12CCCN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)C2 ZINC001164818392 720281165 /nfs/dbraw/zinc/28/11/65/720281165.db2.gz KVIQBOGJHCCPPM-FQEVSTJZSA-N 0 0 436.890 4.164 20 0 IIADRN Fc1cccc2c(Cl)nc(C(F)(F)N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc12 ZINC001164730522 720355058 /nfs/dbraw/zinc/35/50/58/720355058.db2.gz ZZXQSGRTTCLFTA-SJORKVTESA-N 0 0 433.865 4.215 20 0 IIADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3nc4ccsc4c(Cl)n3)O2)n1 ZINC001164831519 720402872 /nfs/dbraw/zinc/40/28/72/720402872.db2.gz VUGMVBUIHZEJKT-WOPDTQHZSA-N 0 0 427.864 4.080 20 0 IIADRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3nc4ccsc4c(Cl)n3)O2)n1 ZINC001164831517 720403094 /nfs/dbraw/zinc/40/30/94/720403094.db2.gz VUGMVBUIHZEJKT-TUAOUCFPSA-N 0 0 427.864 4.080 20 0 IIADRN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2ccnc(Cl)c2)C3)c1 ZINC001164731165 720490009 /nfs/dbraw/zinc/49/00/09/720490009.db2.gz WHBSBMZEIJBXIC-QRWLVFNGSA-N 0 0 441.881 4.143 20 0 IIADRN O[C@@H]1CCN(c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)[C@H]1Cc1ccccc1 ZINC001164830401 720492504 /nfs/dbraw/zinc/49/25/04/720492504.db2.gz BJPBHLPVDCKEHK-LEWJYISDSA-N 0 0 448.636 4.348 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)CC[C@H]21)N1CCCCC1 ZINC001164832492 720497508 /nfs/dbraw/zinc/49/75/08/720497508.db2.gz JGPZUWIBEJXGDJ-IMJJTQAJSA-N 0 0 448.341 4.177 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)CC[C@H]21)N1CCCCC1 ZINC001164834101 720498355 /nfs/dbraw/zinc/49/83/55/720498355.db2.gz RMCLEAWTTIIISC-VBQJREDUSA-N 0 0 448.341 4.177 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)Sc3ccc(Cl)nc3)CC[C@@H]21)N1CCCCC1 ZINC001164833367 720503012 /nfs/dbraw/zinc/50/30/12/720503012.db2.gz DJBVWSHDBNMWFK-XIRDDKMYSA-N 0 0 445.963 4.117 20 0 IIADRN CC[C@@H]1N(C(F)(F)c2cc(-c3cccs3)nnc2Cl)CCC[C@@]12CCC(=O)N2 ZINC001164845141 720756404 /nfs/dbraw/zinc/75/64/04/720756404.db2.gz FDAIEWJMWSJYHP-MAUKXSAKSA-N 0 0 426.920 4.431 20 0 IIADRN COc1ccc(C(F)(F)N2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)nc1Cl ZINC001164849586 720774128 /nfs/dbraw/zinc/77/41/28/720774128.db2.gz UHIPFKAYECCFMH-ZACQAIPSSA-N 0 0 439.890 4.027 20 0 IIADRN O=C(c1cccnc1)N1CCC2(CCN(C(F)(F)c3cnc(Cl)c(Cl)c3)C2)CC1 ZINC001164855296 720893582 /nfs/dbraw/zinc/89/35/82/720893582.db2.gz BAKQAENKGQZFQJ-UHFFFAOYSA-N 0 0 441.309 4.461 20 0 IIADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164755801 720975650 /nfs/dbraw/zinc/97/56/50/720975650.db2.gz BXNPAQHNOKSWQL-HNNXBMFYSA-N 0 0 433.890 4.088 20 0 IIADRN Fc1cnc(Cl)cc1C(F)(F)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164762318 721028856 /nfs/dbraw/zinc/02/88/56/721028856.db2.gz HPGURGSIZJSWMH-KXBFYZLASA-N 0 0 427.854 4.159 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)c1 ZINC001164771940 721054654 /nfs/dbraw/zinc/05/46/54/721054654.db2.gz NSRWBZNRMGCNIB-DLBZAZTESA-N 0 0 438.931 4.085 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c(C3CC3)c2)n1 ZINC001164766683 721057153 /nfs/dbraw/zinc/05/71/53/721057153.db2.gz FSMRDDPGGWMTSD-MOPGFXCFSA-N 0 0 432.902 4.241 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164872316 721219326 /nfs/dbraw/zinc/21/93/26/721219326.db2.gz NDQRNNFUZYCMPL-UHFFFAOYSA-N 0 0 445.901 4.099 20 0 IIADRN Cc1ccc(-c2cc(C(F)(F)N3CC4CC3(C(=O)N3CCCC3)C4)c(Cl)nn2)cc1 ZINC001164872555 721238602 /nfs/dbraw/zinc/23/86/02/721238602.db2.gz MTVLETYHUKTWOM-UHFFFAOYSA-N 0 0 432.902 4.242 20 0 IIADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164874105 721250447 /nfs/dbraw/zinc/25/04/47/721250447.db2.gz JGZNXHLGYHLFMT-IKGGRYGDSA-N 0 0 434.874 4.362 20 0 IIADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164871898 721250896 /nfs/dbraw/zinc/25/08/96/721250896.db2.gz BRQIEXXDHXKXAU-LZQZEXGQSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164875900 721251271 /nfs/dbraw/zinc/25/12/71/721251271.db2.gz MQDKBIVWYFACGB-LZQZEXGQSA-N 0 0 436.890 4.153 20 0 IIADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164871897 721251359 /nfs/dbraw/zinc/25/13/59/721251359.db2.gz BRQIEXXDHXKXAU-IPELMVKDSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21)C1(c2ccc(Cl)nc2)CC1 ZINC001164873340 721252776 /nfs/dbraw/zinc/25/27/76/721252776.db2.gz HQCVLKKLRKIUHM-QYZOEREBSA-N 0 0 435.902 4.455 20 0 IIADRN FC(F)(Oc1cccc(Cl)n1)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164765039 721269813 /nfs/dbraw/zinc/26/98/13/721269813.db2.gz ISDFTNAUGJRYDZ-UHFFFAOYSA-N 0 0 432.858 4.229 20 0 IIADRN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001164768108 721277964 /nfs/dbraw/zinc/27/79/64/721277964.db2.gz JWDANEQQMDUQAP-HNNXBMFYSA-N 0 0 445.901 4.464 20 0 IIADRN O=C1CCC2(CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)CC2)N1CC1CC1 ZINC001164774954 721306160 /nfs/dbraw/zinc/30/61/60/721306160.db2.gz LCRCVDRCMXCFTI-UHFFFAOYSA-N 0 0 438.881 4.339 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164877278 721310739 /nfs/dbraw/zinc/31/07/39/721310739.db2.gz IESJKBYEKQNKKQ-BPLDGKMQSA-N 0 0 430.282 4.391 20 0 IIADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21 ZINC001164882120 721311645 /nfs/dbraw/zinc/31/16/45/721311645.db2.gz ZHRLQHKMFFBZCA-BPLDGKMQSA-N 0 0 430.282 4.391 20 0 IIADRN CSc1ccc(C(F)(F)N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)nc1Cl ZINC001164878475 721312871 /nfs/dbraw/zinc/31/28/71/721312871.db2.gz LFJQCEHOAUTURA-SOUVJXGZSA-N 0 0 441.931 4.460 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164881950 721313461 /nfs/dbraw/zinc/31/34/61/721313461.db2.gz YMUKIPSIIQVWPJ-BMGDILEWSA-N 0 0 446.885 4.286 20 0 IIADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164877258 721315870 /nfs/dbraw/zinc/31/58/70/721315870.db2.gz KRPKKJFFLWFKGN-GDIGMMSISA-N 0 0 435.902 4.226 20 0 IIADRN CCN1CC[C@]2(CN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)C[C@H]2C)C1=O ZINC001164779374 721318833 /nfs/dbraw/zinc/31/88/33/721318833.db2.gz XKSMZZVAANSIKI-ADLMAVQZSA-N 0 0 429.298 4.176 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001164873744 721319188 /nfs/dbraw/zinc/31/91/88/721319188.db2.gz BCUIZAMFGOWVEA-SFHVURJKSA-N 0 0 431.914 4.355 20 0 IIADRN Fc1ccc(C(F)(F)N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)nc1Cl ZINC001164779584 721325337 /nfs/dbraw/zinc/32/53/37/721325337.db2.gz ZGGCQCOKQPMNGQ-GFCCVEGCSA-N 0 0 431.817 4.160 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)c1 ZINC001164778646 721326567 /nfs/dbraw/zinc/32/65/67/721326567.db2.gz XWXSVVYHRWLPHT-AWEZNQCLSA-N 0 0 427.854 4.329 20 0 IIADRN CN(C)C1=NOC2(C1)CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)CC2 ZINC001164875417 721326829 /nfs/dbraw/zinc/32/68/29/721326829.db2.gz KWVKWCMKKGSJAF-UHFFFAOYSA-N 0 0 427.908 4.038 20 0 IIADRN Cc1nc(COC[C@@H]2Cn3nccc3CN(C(C)(C)c3ccnc(Cl)c3)C2)cs1 ZINC001164877410 721332699 /nfs/dbraw/zinc/33/26/99/721332699.db2.gz TZXKZZXORDGDLR-INIZCTEOSA-N 0 0 431.993 4.280 20 0 IIADRN O=C1CO[C@@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@H]2N1c1cccc(F)c1 ZINC001164882441 721364994 /nfs/dbraw/zinc/36/49/94/721364994.db2.gz JIYFDWGQIZMRKT-QZTJIDSGSA-N 0 0 447.844 4.193 20 0 IIADRN FC(F)(Oc1ccnc(Cl)c1)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001164786984 721386685 /nfs/dbraw/zinc/38/66/85/721386685.db2.gz WLCBTNHVYYJIKL-FXAWDEMLSA-N 0 0 439.890 4.147 20 0 IIADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164788954 721431317 /nfs/dbraw/zinc/43/13/17/721431317.db2.gz UNFISJGRFAIIGK-HZPDHXFCSA-N 0 0 447.942 4.367 20 0 IIADRN Fc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c1 ZINC001164780871 721436809 /nfs/dbraw/zinc/43/68/09/721436809.db2.gz AWCNEJVSOMHNFZ-KBPBESRZSA-N 0 0 431.924 4.086 20 0 IIADRN Cc1nc(COC[C@H]2CCC[C@@]23CN(C(F)(F)c2ccnc(Cl)n2)CCO3)cs1 ZINC001164781992 721442682 /nfs/dbraw/zinc/44/26/82/721442682.db2.gz HWTZQBPRDWLUIU-RDTXWAMCSA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cnc(Cl)cn2)CCO3)cs1 ZINC001164783828 721443331 /nfs/dbraw/zinc/44/33/31/721443331.db2.gz OIUCAEYHSHOWSL-KDOFPFPSSA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(COC[C@H]2CCC[C@]23CN(C(F)(F)c2cnnc(Cl)c2)CCO3)cs1 ZINC001164781973 721444036 /nfs/dbraw/zinc/44/40/36/721444036.db2.gz HTXRULNKSQEKFK-KDOFPFPSSA-N 0 0 444.935 4.032 20 0 IIADRN Cc1nc(CN2CC[C@]3(CCCN(C(F)(F)c4cnc(Cl)c(F)c4)C3)C2=O)cs1 ZINC001164886548 721461332 /nfs/dbraw/zinc/46/13/32/721461332.db2.gz HDDBJKSOCRXTLM-SFHVURJKSA-N 0 0 444.910 4.203 20 0 IIADRN Cc1nc(CN2CC[C@@]3(CCCN(C(F)(F)c4ccc(C)c(Cl)n4)C3)C2=O)cs1 ZINC001164884326 721461645 /nfs/dbraw/zinc/46/16/45/721461645.db2.gz ARDZNAOOVHPRPM-LJQANCHMSA-N 0 0 440.947 4.372 20 0 IIADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)n1 ZINC001164888237 721465463 /nfs/dbraw/zinc/46/54/63/721465463.db2.gz FKXUPJXDGQVQDM-OALUTQOASA-N 0 0 443.661 4.233 20 0 IIADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)CC[C@@H]21 ZINC001164894181 721466739 /nfs/dbraw/zinc/46/67/39/721466739.db2.gz WEFLUENHTVQSJT-BBRMVZONSA-N 0 0 440.947 4.487 20 0 IIADRN O=C1C[C@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc2cc[nH]c2c(Cl)n1 ZINC001164893429 721475266 /nfs/dbraw/zinc/47/52/66/721475266.db2.gz ISIUBLNBTFDBIZ-NRFANRHFSA-N 0 0 445.901 4.318 20 0 IIADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001164897318 721486233 /nfs/dbraw/zinc/48/62/33/721486233.db2.gz RVXFALLAXMKBEQ-HNNXBMFYSA-N 0 0 428.874 4.163 20 0 IIADRN Fc1cccnc1OC[C@]12COC[C@H]1CN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001164793416 721486445 /nfs/dbraw/zinc/48/64/45/721486445.db2.gz SAKKWEJTVNZKKV-IERDGZPVSA-N 0 0 449.860 4.499 20 0 IIADRN Fc1cccnc1OC[C@]12COC[C@@H]1CN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001164793418 721486493 /nfs/dbraw/zinc/48/64/93/721486493.db2.gz SAKKWEJTVNZKKV-KKSFZXQISA-N 0 0 449.860 4.499 20 0 IIADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3nc(C)cc(Cl)n3)CC2)c2ccc(C)cc21 ZINC001164896396 721491619 /nfs/dbraw/zinc/49/16/19/721491619.db2.gz AZJLWUBYEAISSR-KRWDZBQOSA-N 0 0 449.933 4.204 20 0 IIADRN CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3cnc(Cl)c(N)c3)CC2)c2ccc(C)cc21 ZINC001164902042 721492588 /nfs/dbraw/zinc/49/25/88/721492588.db2.gz YIGQLKWGPIYBEV-GOSISDBHSA-N 0 0 449.933 4.083 20 0 IIADRN CNC(=O)N[C@H]1CC2(CCN(C(F)(F)c3cnc(Cl)c(N)c3)CC2)c2ccc(C)cc21 ZINC001164902043 721492653 /nfs/dbraw/zinc/49/26/53/721492653.db2.gz YIGQLKWGPIYBEV-SFHVURJKSA-N 0 0 449.933 4.083 20 0 IIADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164898701 721501247 /nfs/dbraw/zinc/50/12/47/721501247.db2.gz UEDZUEZCLUAAGM-OAHLLOKOSA-N 0 0 436.330 4.081 20 0 IIADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164796597 721505495 /nfs/dbraw/zinc/50/54/95/721505495.db2.gz SWRQZPVBPLOCMM-VLIAUNLRSA-N 0 0 437.874 4.147 20 0 IIADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@H]3CCC[C@]3(COc3ccccn3)C2)c1 ZINC001164795558 721505910 /nfs/dbraw/zinc/50/59/10/721505910.db2.gz LHBPAODCUCRKAD-FOIQADDNSA-N 0 0 437.874 4.147 20 0 IIADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1C[C@@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001164794944 721506368 /nfs/dbraw/zinc/50/63/68/721506368.db2.gz GINBHWVPRVRJDB-UGSOOPFHSA-N 0 0 429.298 4.495 20 0 IIADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1C[C@H]2CCC[C@]2(COc2ccccn2)C1 ZINC001164794941 721506641 /nfs/dbraw/zinc/50/66/41/721506641.db2.gz GINBHWVPRVRJDB-FZKQIMNGSA-N 0 0 429.298 4.495 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccc(Cl)c(Cl)n2)[C@@H]2CCCO[C@H]12 ZINC001164807808 721553119 /nfs/dbraw/zinc/55/31/19/721553119.db2.gz RJXNTIQIEJIWNT-NUJGCVRESA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cc(Cl)ccc32)[C@@H]2CCCO[C@@H]12 ZINC001164803035 721553718 /nfs/dbraw/zinc/55/37/18/721553718.db2.gz HLVGJNRCQWZGFT-VAMGGRTRSA-N 0 0 444.366 4.200 20 0 IIADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001164905181 721580834 /nfs/dbraw/zinc/58/08/34/721580834.db2.gz UHLXSTPFBKOUAS-OAQYLSRUSA-N 0 0 445.901 4.099 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2cc(SCc3ccccc3)ncn2)[C@H]2CCCO[C@@H]12 ZINC001164806278 721584843 /nfs/dbraw/zinc/58/48/43/721584843.db2.gz MSWPOKKFSRPIGN-SGIRGMQISA-N 0 0 447.608 4.032 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)[C@@H]2CCCO[C@H]12 ZINC001164805023 721590961 /nfs/dbraw/zinc/59/09/61/721590961.db2.gz JZRMVOSYMJYNAE-SBHAEUEKSA-N 0 0 448.945 4.118 20 0 IIADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164801461 721600113 /nfs/dbraw/zinc/60/01/13/721600113.db2.gz OMNDCADRBIYABM-UHFFFAOYSA-N 0 0 445.901 4.485 20 0 IIADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)COc2cncc(Cl)n2)C3)c1 ZINC001164799601 721601687 /nfs/dbraw/zinc/60/16/87/721601687.db2.gz IRDLYTUHKOXYFY-XLIONFOSSA-N 0 0 438.906 4.124 20 0 IIADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)COc2cncc(Cl)n2)C3)c1 ZINC001164799598 721601724 /nfs/dbraw/zinc/60/17/24/721601724.db2.gz IRDLYTUHKOXYFY-PXNSSMCTSA-N 0 0 438.906 4.124 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CCC3(CCOC[C@H]3COc3cccnc3)CC2)n1 ZINC001164801286 721603461 /nfs/dbraw/zinc/60/34/61/721603461.db2.gz PNRYIYUVEBBIHU-INIZCTEOSA-N 0 0 438.906 4.080 20 0 IIADRN CC(C)N(C)Cc1nnc2n1CCCN(c1ncnc3scc(-c4cccs4)c31)C2 ZINC001165011659 721698782 /nfs/dbraw/zinc/69/87/82/721698782.db2.gz ULOKLSJPDTUBFQ-UHFFFAOYSA-N 0 0 439.614 4.262 20 0 IIADRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(C(F)F)nc3ccc(Cl)cc31)C2 ZINC001165010451 721719993 /nfs/dbraw/zinc/71/99/93/721719993.db2.gz HJWMRGKIVQCEEM-UHFFFAOYSA-N 0 0 435.910 4.063 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(C(=O)OC(C)(C)C)ccn1)C2 ZINC001164908483 721747771 /nfs/dbraw/zinc/74/77/71/721747771.db2.gz KLFCQPACTIKRAB-UHFFFAOYSA-N 0 0 434.540 4.220 20 0 IIADRN COc1cccc(-c2ccnc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)n2)c1 ZINC001164910889 721758480 /nfs/dbraw/zinc/75/84/80/721758480.db2.gz TWUCMUKPUFRNSL-UHFFFAOYSA-N 0 0 441.535 4.335 20 0 IIADRN COC(=O)c1cc2ccccc2c(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)n1 ZINC001164911828 721761938 /nfs/dbraw/zinc/76/19/38/721761938.db2.gz SJZWSAYDNVCJJY-UHFFFAOYSA-N 0 0 442.519 4.204 20 0 IIADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1C[C@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001165014727 721762413 /nfs/dbraw/zinc/76/24/13/721762413.db2.gz HWXHRWZRYLHNNY-IMJJTQAJSA-N 0 0 430.282 4.112 20 0 IIADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@H]4COC[C@@H]43)c(Cl)nn2)cc1 ZINC001165015363 721764765 /nfs/dbraw/zinc/76/47/65/721764765.db2.gz OVMDRPMGTBZWRJ-SNRMKQJTSA-N 0 0 439.865 4.111 20 0 IIADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164915793 721805084 /nfs/dbraw/zinc/80/50/84/721805084.db2.gz LBQJZPWBFVVSTH-MGPUTAFESA-N 0 0 432.858 4.040 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)c1 ZINC001164915790 721810453 /nfs/dbraw/zinc/81/04/53/721810453.db2.gz BWMAWHBNUCNYQJ-PMUMKWKESA-N 0 0 429.920 4.245 20 0 IIADRN CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164926109 721837201 /nfs/dbraw/zinc/83/72/01/721837201.db2.gz QDLQZRIWIPFNPU-LAUBAEHRSA-N 0 0 449.933 4.212 20 0 IIADRN COc1cccc(OC)c1CN1CCC(N(C)C(F)(F)c2cc(C)nnc2Cl)CC1 ZINC001165020337 721843723 /nfs/dbraw/zinc/84/37/23/721843723.db2.gz CPCVSYGSBNSTNY-UHFFFAOYSA-N 0 0 440.922 4.101 20 0 IIADRN CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CC[C@@H](CO)C3)n2)CC1 ZINC001165032945 721878702 /nfs/dbraw/zinc/87/87/02/721878702.db2.gz IWQQBMYHILJHDS-MRXNPFEDSA-N 0 0 428.627 4.470 20 0 IIADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N(Cc1cccnc1)Cc1ccccn1 ZINC001165036129 721881023 /nfs/dbraw/zinc/88/10/23/721881023.db2.gz JQLOWJBIIWDLQI-UHFFFAOYSA-N 0 0 430.890 4.272 20 0 IIADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc4ccnc(Cl)c4c3)CC[C@H]21)NC1CCC1 ZINC001164931207 721895945 /nfs/dbraw/zinc/89/59/45/721895945.db2.gz DOPXNTNGKMBVPS-CVAIRZPRSA-N 0 0 449.929 4.333 20 0 IIADRN O=C(C1=CC2(CCN(C(F)(F)c3cnc(Cl)nc3)CC2)c2ccccc21)N1CCCC1 ZINC001164929404 721899356 /nfs/dbraw/zinc/89/93/56/721899356.db2.gz UAGATQQACNVFTR-UHFFFAOYSA-N 0 0 444.913 4.233 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164935963 721910264 /nfs/dbraw/zinc/91/02/64/721910264.db2.gz QFKQTFRNNLTHMT-CJNGLKHVSA-N 0 0 446.860 4.318 20 0 IIADRN O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)N(C(F)(F)C1(c3ccnc(Cl)c3)CC1)C2 ZINC001164939882 721910866 /nfs/dbraw/zinc/91/08/66/721910866.db2.gz VCQYNXBTOSBWMJ-KDOFPFPSSA-N 0 0 435.877 4.345 20 0 IIADRN FC(F)(c1cc2ccccc2nc1Cl)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001164937894 721915465 /nfs/dbraw/zinc/91/54/65/721915465.db2.gz GWVBZQXVXWOHLO-UHFFFAOYSA-N 0 0 428.874 4.285 20 0 IIADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCN(CCOc2ccccc2)CC1 ZINC001165045458 721960086 /nfs/dbraw/zinc/96/00/86/721960086.db2.gz UREVRBYBNVKUOL-UHFFFAOYSA-N 0 0 434.874 4.136 20 0 IIADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)C[C@H]12 ZINC001164943346 721965233 /nfs/dbraw/zinc/96/52/33/721965233.db2.gz FQWJFRMRTCDVJX-KXBFYZLASA-N 0 0 441.309 4.097 20 0 IIADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3nc(Cl)ccc3CN3CCCC3)C[C@@H]12 ZINC001164948332 721966672 /nfs/dbraw/zinc/96/66/72/721966672.db2.gz TZLFQSTVIOTERJ-RCZVLFRGSA-N 0 0 439.003 4.100 20 0 IIADRN CC(C)(C)OC(=O)[C@H]1CCCN(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)C1 ZINC001165052454 721992917 /nfs/dbraw/zinc/99/29/17/721992917.db2.gz ZCCNJCWULMCRPN-KRWDZBQOSA-N 0 0 428.964 4.204 20 0 IIADRN Cc1nc(C(F)(F)N2C[C@@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)nc(Cl)c1C ZINC001164953128 722004536 /nfs/dbraw/zinc/00/45/36/722004536.db2.gz OXWRMAPICNJDQM-HOTGVXAUSA-N 0 0 429.902 4.468 20 0 IIADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCN(CCc2ccccn2)CC1 ZINC001165056514 722014817 /nfs/dbraw/zinc/01/48/17/722014817.db2.gz UVRCPNIASFLGTB-UHFFFAOYSA-N 0 0 429.902 4.102 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cc(Cl)nc(Cl)c1 ZINC001164959937 722027978 /nfs/dbraw/zinc/02/79/78/722027978.db2.gz JQWNYKDDTMNVCC-WOSRLPQWSA-N 0 0 434.245 4.283 20 0 IIADRN O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164962102 722035707 /nfs/dbraw/zinc/03/57/07/722035707.db2.gz XHGIDNHGYANCGA-WIYYLYMNSA-N 0 0 432.902 4.085 20 0 IIADRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)C3)CC2=O)s1 ZINC001164957897 722044180 /nfs/dbraw/zinc/04/41/80/722044180.db2.gz CMFDAFVSCXAQES-QGZVFWFLSA-N 0 0 447.338 4.418 20 0 IIADRN O=C(c1ccco1)N1CC[C@@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C[C@H]21 ZINC001164959210 722046793 /nfs/dbraw/zinc/04/67/93/722046793.db2.gz PYUQRCYDMZLHMN-CRAIPNDOSA-N 0 0 444.869 4.286 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)Oc2cccnc2Cl)[C@@H]3C)c1 ZINC001164966440 722062947 /nfs/dbraw/zinc/06/29/47/722062947.db2.gz SYJYQTXMKLGSFL-OAHLLOKOSA-N 0 0 449.889 4.358 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN(C(F)(F)c2cc(Cl)nc(C)n2)[C@@H]3C)c1 ZINC001164963777 722062973 /nfs/dbraw/zinc/06/29/73/722062973.db2.gz DEUXMRADZUXVEY-CQSZACIVSA-N 0 0 448.905 4.181 20 0 IIADRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccc2c(Cl)nccc2c1 ZINC001164966844 722065544 /nfs/dbraw/zinc/06/55/44/722065544.db2.gz XVAGKAQWDAQMBI-DLBZAZTESA-N 0 0 434.899 4.383 20 0 IIADRN COc1cccc(-c2cc(C(F)(F)N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)cnc2Cl)c1 ZINC001164967361 722078099 /nfs/dbraw/zinc/07/80/99/722078099.db2.gz BMBMFHQAEBVDTD-BGYRXZFFSA-N 0 0 449.929 4.255 20 0 IIADRN O=C1NCc2ccccc2CC12CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164968241 722078368 /nfs/dbraw/zinc/07/83/68/722078368.db2.gz XGXSDFBYEQTDKE-UHFFFAOYSA-N 0 0 442.897 4.287 20 0 IIADRN FC(F)(N1CCc2onc(COc3ccccn3)c2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164970581 722083106 /nfs/dbraw/zinc/08/31/06/722083106.db2.gz YZZNCYRLNCWLCS-UHFFFAOYSA-N 0 0 432.858 4.380 20 0 IIADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C[C@H]2C1 ZINC001164977590 722084817 /nfs/dbraw/zinc/08/48/17/722084817.db2.gz XEFUCIPCHQPLAV-IAGOWNOFSA-N 0 0 446.929 4.473 20 0 IIADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C[C@H]2C1 ZINC001164970747 722085977 /nfs/dbraw/zinc/08/59/77/722085977.db2.gz GPUUJSXOCXHMBD-ZSBIGDGJSA-N 0 0 437.840 4.430 20 0 IIADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)CC2 ZINC001164979285 722091166 /nfs/dbraw/zinc/09/11/66/722091166.db2.gz YQUBIJMWXWNZKR-ZDUSSCGKSA-N 0 0 433.330 4.241 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3ccc(Cl)nc3Cl)C[C@@H]21 ZINC001164976292 722096857 /nfs/dbraw/zinc/09/68/57/722096857.db2.gz GQOKUQPQSBBICA-JKIFEVAISA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)Sc3ccc(Cl)nc3)C[C@H]21 ZINC001164976433 722098401 /nfs/dbraw/zinc/09/84/01/722098401.db2.gz DCIHZFGDMJNEBR-JFIYKMOQSA-N 0 0 438.931 4.419 20 0 IIADRN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@]4(C3)c3ccccc3N(C)C4=O)c2c1C ZINC001164983109 722162464 /nfs/dbraw/zinc/16/24/64/722162464.db2.gz XYFBPBSUTROBER-VWLOTQADSA-N 0 0 447.608 4.028 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4ccc(F)c(Cl)n4)CC[C@H]32)cs1 ZINC001164985637 722176784 /nfs/dbraw/zinc/17/67/84/722176784.db2.gz IEGZXIMFASTKHG-CVEARBPZSA-N 0 0 446.926 4.054 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5c(F)cccc54)CC[C@@H]32)cs1 ZINC001164985852 722180662 /nfs/dbraw/zinc/18/06/62/722180662.db2.gz BXGIEMHBDHDQII-ZWKOTPCHSA-N 0 0 447.967 4.057 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)nc5sc(C)c(C)c54)CC[C@H]32)cs1 ZINC001164989828 722181141 /nfs/dbraw/zinc/18/11/41/722181141.db2.gz MIWBOACPHJWGCE-MOPGFXCFSA-N 0 0 443.642 4.251 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cnc(Cl)cc4C)CC[C@@H]32)cs1 ZINC001164990585 722182074 /nfs/dbraw/zinc/18/20/74/722182074.db2.gz OFFNSTJDAPJVSJ-ZWKOTPCHSA-N 0 0 442.963 4.223 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C)nc5c6ccccc6oc54)CC[C@@H]32)cs1 ZINC001164986526 722183974 /nfs/dbraw/zinc/18/39/74/722183974.db2.gz DKTUQCNEVKPMFS-FPOVZHCZSA-N 0 0 449.580 4.319 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc5nc(Cl)cnc5cc4F)CC[C@@H]32)cs1 ZINC001164988180 722185684 /nfs/dbraw/zinc/18/56/84/722185684.db2.gz MMWVBCPNTQOGBS-AZUAARDMSA-N 0 0 447.967 4.057 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(C5CCC5)nc(Cl)c4C)CC[C@@H]32)cs1 ZINC001164993399 722186458 /nfs/dbraw/zinc/18/64/58/722186458.db2.gz ZJWFHSQEQNIUNU-OALUTQOASA-N 0 0 448.036 4.341 20 0 IIADRN CN(C)c1cc(Cl)nc(C(F)(F)N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164993268 722195028 /nfs/dbraw/zinc/19/50/28/722195028.db2.gz DVOHPZFXVSPEMD-HXUWFJFHSA-N 0 0 439.913 4.125 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2nc(Cl)c3ccccc3n2)n1 ZINC001165000585 722226060 /nfs/dbraw/zinc/22/60/60/722226060.db2.gz UKIXLLVPFTUQCQ-INIZCTEOSA-N 0 0 448.905 4.042 20 0 IIADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2ccc(SC)c(Cl)n2)n1 ZINC001164998379 722226714 /nfs/dbraw/zinc/22/67/14/722226714.db2.gz BFJQBBJREZQOKW-CYBMUJFWSA-N 0 0 443.951 4.216 20 0 IIADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001165000711 722247603 /nfs/dbraw/zinc/24/76/03/722247603.db2.gz JTTQDTULVOSRHD-UHFFFAOYSA-N 0 0 440.237 4.131 20 0 IIADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)c2cccc(Cl)n2)CC3)cs1 ZINC001165006378 722272288 /nfs/dbraw/zinc/27/22/88/722272288.db2.gz NXXRTFXCLZCLMW-HNNXBMFYSA-N 0 0 429.920 4.390 20 0 IIADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(F)(F)c2cc(C)nc(Cl)n2)CC3)cs1 ZINC001165007699 722272418 /nfs/dbraw/zinc/27/24/18/722272418.db2.gz XLCPLCDMVGYLSI-HNNXBMFYSA-N 0 0 444.935 4.093 20 0 IIADRN C[C@@H]1CN(C(F)(F)c2ccc(Cl)nc2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165009309 722273187 /nfs/dbraw/zinc/27/31/87/722273187.db2.gz ORVGZABWBSOCKN-CFLQYTFWSA-N 0 0 436.890 4.078 20 0 IIADRN C[N@@H+]1CCC[C@@H](CNC(=O)NC2(C(=O)[O-])CCCCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576949 939137043 /nfs/dbraw/zinc/13/70/43/939137043.db2.gz CLGDVQMZGDQPDE-FUHWJXTLSA-N 0 0 441.494 4.175 20 0 IIADRN COc1ccc(C(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)cc1-c1ccccc1 ZINC001123267434 939817130 /nfs/dbraw/zinc/81/71/30/939817130.db2.gz GICNOYNJGUHCEZ-HHHXNRCGSA-N 0 0 444.531 4.211 20 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CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCOC[C@H]2c2csc(C)n2)n1 ZINC001164750270 720864733 /nfs/dbraw/zinc/86/47/33/720864733.db2.gz PENHIAPYUFAIDG-KRWDZBQOSA-N 0 0 431.631 4.493 20 0 IIADRN Cc1ccc(C(F)(F)N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)nc1Cl ZINC001164855388 720899616 /nfs/dbraw/zinc/89/96/16/720899616.db2.gz BJSMGGLKHIJLQA-LAUBAEHRSA-N 0 0 435.902 4.146 20 0 IIADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@H]21 ZINC001164756117 721005001 /nfs/dbraw/zinc/00/50/01/721005001.db2.gz FDWBOUNVSCIAIJ-RLLQIKCJSA-N 0 0 431.870 4.249 20 0 IIADRN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001164758413 721010295 /nfs/dbraw/zinc/01/02/95/721010295.db2.gz ISCNRATXKBCWDV-CFVMTHIKSA-N 0 0 449.807 4.114 20 0 IIADRN FC(F)(c1cnc(Cl)nc1Cl)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164761833 721025744 /nfs/dbraw/zinc/02/57/44/721025744.db2.gz UQWHRAIKOXOJCA-RDTXWAMCSA-N 0 0 445.297 4.068 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)n1)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164760029 721025826 /nfs/dbraw/zinc/02/58/26/721025826.db2.gz NJVLAORRJPNILJ-KBXCAEBGSA-N 0 0 445.297 4.068 20 0 IIADRN FC(F)(c1nc(Cl)ncc1Cl)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164769236 721027103 /nfs/dbraw/zinc/02/71/03/721027103.db2.gz VWLASBBRUOTGKR-KBXCAEBGSA-N 0 0 445.297 4.068 20 0 IIADRN Fc1cc(C(F)(F)N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)cnc1Cl ZINC001164766878 721028355 /nfs/dbraw/zinc/02/83/55/721028355.db2.gz RRVKVVWDLQYUJV-LPHOPBHVSA-N 0 0 427.854 4.159 20 0 IIADRN CCn1nnc2c1CCN(C(F)(F)Oc1cccnc1Cl)[C@@H]2COCc1ccccc1 ZINC001164773439 721047786 /nfs/dbraw/zinc/04/77/86/721047786.db2.gz RSBXCNGJRCOBII-QGZVFWFLSA-N 0 0 449.889 4.092 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)cnc2Cl)n1 ZINC001164774530 721050429 /nfs/dbraw/zinc/05/04/29/721050429.db2.gz VTKSKBCISYMICM-HZPDHXFCSA-N 0 0 427.282 4.017 20 0 IIADRN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2ccc(Cl)c(Cl)n2)n1 ZINC001164765929 721052400 /nfs/dbraw/zinc/05/24/00/721052400.db2.gz DURVJPJDCFMADC-GJZGRUSLSA-N 0 0 427.282 4.017 20 0 IIADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164871192 721216751 /nfs/dbraw/zinc/21/67/51/721216751.db2.gz IVBDLVGEQAVPPT-UHFFFAOYSA-N 0 0 429.298 4.204 20 0 IIADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164869472 721218310 /nfs/dbraw/zinc/21/83/10/721218310.db2.gz CMWJXVKVKBARMZ-UHFFFAOYSA-N 0 0 445.901 4.099 20 0 IIADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164873540 721218661 /nfs/dbraw/zinc/21/86/61/721218661.db2.gz RXEIRJRIDKFFFK-UHFFFAOYSA-N 0 0 429.298 4.204 20 0 IIADRN FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164873388 721249219 /nfs/dbraw/zinc/24/92/19/721249219.db2.gz IIMNWZWVBGRWMK-LZQZEXGQSA-N 0 0 446.885 4.428 20 0 IIADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164872024 721250358 /nfs/dbraw/zinc/25/03/58/721250358.db2.gz CMXWWQVCGNANBQ-KKUMJFAQSA-N 0 0 445.297 4.015 20 0 IIADRN Fc1c(Cl)nccc1C(F)(F)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001164767714 721269762 /nfs/dbraw/zinc/26/97/62/721269762.db2.gz SEKAUFFLMHYJQB-UHFFFAOYSA-N 0 0 434.849 4.489 20 0 IIADRN COc1cc(C(F)(F)N2CCc3c(COCc4ccccn4)cncc3C2)cc(Cl)n1 ZINC001164767680 721269769 /nfs/dbraw/zinc/26/97/69/721269769.db2.gz SBKIBYSLEKYFAA-UHFFFAOYSA-N 0 0 446.885 4.358 20 0 IIADRN FC(F)(c1ccnc(Cl)c1Cl)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001164765809 721271969 /nfs/dbraw/zinc/27/19/69/721271969.db2.gz LDSINIRZAUDLPY-CYBMUJFWSA-N 0 0 440.281 4.240 20 0 IIADRN Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2nc(C)c(C)c(Cl)n2)CCO3)c1 ZINC001164774920 721305199 /nfs/dbraw/zinc/30/51/99/721305199.db2.gz KNHLNJWLKIJIEJ-NRFANRHFSA-N 0 0 436.934 4.476 20 0 IIADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21 ZINC001164874119 721310838 /nfs/dbraw/zinc/31/08/38/721310838.db2.gz BGEFGMFZLLDVLH-BMGDILEWSA-N 0 0 446.885 4.286 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164879899 721316182 /nfs/dbraw/zinc/31/61/82/721316182.db2.gz UGQKXGWOTUUUCS-OAHLLOKOSA-N 0 0 426.294 4.434 20 0 IIADRN O=C1NC[C@H](c2ccccc2)C12CCN(C(F)(F)c1cccc3c(Cl)ncnc31)CC2 ZINC001164880813 721318248 /nfs/dbraw/zinc/31/82/48/721318248.db2.gz ZXNJLDLTSBHKNI-GOSISDBHSA-N 0 0 442.897 4.328 20 0 IIADRN CCN1CC[C@@]2(CN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)C[C@@H]2C)C1=O ZINC001164776972 721318864 /nfs/dbraw/zinc/31/88/64/721318864.db2.gz HXNCRVWDGGXSLG-VOJFVSQTSA-N 0 0 429.298 4.176 20 0 IIADRN O=C1NC[C@@H](c2ccccc2)C12CCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)CC2 ZINC001164880011 721319333 /nfs/dbraw/zinc/31/93/33/721319333.db2.gz VMFSAORZULSYAH-INIZCTEOSA-N 0 0 440.758 4.199 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(F)(F)c3cccnc3Cl)C2)C1 ZINC001164776298 721333104 /nfs/dbraw/zinc/33/31/04/721333104.db2.gz DMVDZQHGQLZTJE-HXUWFJFHSA-N 0 0 440.922 4.004 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3Cl)C2)C1 ZINC001164776395 721345182 /nfs/dbraw/zinc/34/51/82/721345182.db2.gz AYQLZZZBCVSMQK-QHCPKHFHSA-N 0 0 441.963 4.007 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc(Cl)ccc3Cl)C2)C1 ZINC001164777430 721345316 /nfs/dbraw/zinc/34/53/16/721345316.db2.gz GYZGNYAGSTVKHA-FQEVSTJZSA-N 0 0 425.360 4.112 20 0 IIADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(C)cc4)nn3)C2)C1 ZINC001164780915 721365029 /nfs/dbraw/zinc/36/50/29/721365029.db2.gz IRCKLGZVRSJITP-SANMLTNESA-N 0 0 447.583 4.176 20 0 IIADRN O=C1CO[C@@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C[C@H]2N1c1cccc(F)c1 ZINC001164881273 721366991 /nfs/dbraw/zinc/36/69/91/721366991.db2.gz ATPALDJAGVZNAV-RTBURBONSA-N 0 0 447.844 4.193 20 0 IIADRN Fc1cnc(Cl)cc1C(F)(F)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1 ZINC001164787785 721384370 /nfs/dbraw/zinc/38/43/70/721384370.db2.gz XLWGJIRPNUFZOV-UZLBHIALSA-N 0 0 441.881 4.406 20 0 IIADRN Fc1ccc(-c2nnc(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164786799 721426759 /nfs/dbraw/zinc/42/67/59/721426759.db2.gz PQFUECYOHAYLGX-ROUUACIJSA-N 0 0 431.540 4.461 20 0 IIADRN O=C(Nc1cccc(Cl)c1)c1ccc(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)nc1 ZINC001164783586 721427309 /nfs/dbraw/zinc/42/73/09/721427309.db2.gz IYTSLFCSERFOGR-IRXDYDNUSA-N 0 0 439.972 4.012 20 0 IIADRN Cc1ccc(Oc2nc(Cl)ncc2N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)cc1 ZINC001164782082 721436360 /nfs/dbraw/zinc/43/63/60/721436360.db2.gz FPWXJDHOLQFNFJ-IYBDPMFKSA-N 0 0 427.961 4.255 20 0 IIADRN Cc1cc(Cl)nc(C(F)(F)N2CCc3ncn(C)c3[C@H]2COCc2cccnc2)c1 ZINC001164786323 721441385 /nfs/dbraw/zinc/44/13/85/721441385.db2.gz UQKYILPNIDMBRN-QGZVFWFLSA-N 0 0 433.890 4.037 20 0 IIADRN Cc1nc(COC[C@@H]2CCC[C@@]23CN(C(F)(F)c2cnnc(Cl)c2)CCO3)cs1 ZINC001164781971 721444015 /nfs/dbraw/zinc/44/40/15/721444015.db2.gz HTXRULNKSQEKFK-KBXCAEBGSA-N 0 0 444.935 4.032 20 0 IIADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)CC[C@H]21 ZINC001164893707 721465811 /nfs/dbraw/zinc/46/58/11/721465811.db2.gz UIINUFNYXJCENF-VQIMIIECSA-N 0 0 434.918 4.425 20 0 IIADRN O=C1C[C@@]2(CN1Cc1cccnc1)CCCCN2C(F)(F)c1cc(Cl)nc2c1CCC2 ZINC001164895538 721476138 /nfs/dbraw/zinc/47/61/38/721476138.db2.gz SFZZUVMOMCZCSL-JOCHJYFZSA-N 0 0 446.929 4.325 20 0 IIADRN CCOC[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nc(Cl)nc32)Cc2cnn(C)c21 ZINC001164791454 721477226 /nfs/dbraw/zinc/47/72/26/721477226.db2.gz IRQXURQFQIGSRH-LBPRGKRZSA-N 0 0 442.297 4.355 20 0 IIADRN CCOC[C@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccnc3)c2)Cc2cnn(C)c21 ZINC001164791908 721477923 /nfs/dbraw/zinc/47/79/23/721477923.db2.gz KNECWERCDXKFSJ-MRXNPFEDSA-N 0 0 433.890 4.216 20 0 IIADRN Fc1cccnc1OC[C@]12COC[C@@H]1CN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001164793198 721486650 /nfs/dbraw/zinc/48/66/50/721486650.db2.gz PEEHKVZIAZJBGW-BTYIYWSLSA-N 0 0 449.860 4.499 20 0 IIADRN Fc1cccnc1OC[C@@]12COC[C@H]1CN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164793212 721487206 /nfs/dbraw/zinc/48/72/06/721487206.db2.gz PRIVJSNHKVQLOB-QVKFZJNVSA-N 0 0 449.860 4.499 20 0 IIADRN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001164893896 721488037 /nfs/dbraw/zinc/48/80/37/721488037.db2.gz FQJHZKBSEUKAON-INIZCTEOSA-N 0 0 446.933 4.278 20 0 IIADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2CCC[C@@H](OCC3CC3)[C@H]2C1 ZINC001164901189 721496891 /nfs/dbraw/zinc/49/68/91/721496891.db2.gz TYVJOLDRUSSQLJ-YESZJQIVSA-N 0 0 426.939 4.307 20 0 IIADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2CCC[C@H](OCC3CC3)[C@H]2C1 ZINC001164901188 721496956 /nfs/dbraw/zinc/49/69/56/721496956.db2.gz TYVJOLDRUSSQLJ-ULQDDVLXSA-N 0 0 426.939 4.307 20 0 IIADRN CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164899539 721500134 /nfs/dbraw/zinc/50/01/34/721500134.db2.gz ZARGCNMHMIJKSJ-AWEZNQCLSA-N 0 0 436.330 4.081 20 0 IIADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164898449 721500169 /nfs/dbraw/zinc/50/01/69/721500169.db2.gz RZKUGOGJBJOZFB-OAHLLOKOSA-N 0 0 436.330 4.081 20 0 IIADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164899269 721500184 /nfs/dbraw/zinc/50/01/84/721500184.db2.gz XZWFSVLRWKMMJW-OAHLLOKOSA-N 0 0 436.330 4.081 20 0 IIADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001164897767 721500191 /nfs/dbraw/zinc/50/01/91/721500191.db2.gz NWRMSBJTAWINJI-CQSZACIVSA-N 0 0 436.330 4.081 20 0 IIADRN CSc1cnc(Cl)c(C(F)(F)N2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)c1 ZINC001164896020 721501601 /nfs/dbraw/zinc/50/16/01/721501601.db2.gz GOTVZBYHYUTVSA-MRXNPFEDSA-N 0 0 447.979 4.150 20 0 IIADRN c1ccc(CN2CCc3ncnc(N4C[C@H]5CCC[C@@]5(COc5ccccn5)C4)c3C2)cc1 ZINC001164796626 721505220 /nfs/dbraw/zinc/50/52/20/721505220.db2.gz URLGWTILGMWHJJ-AMGIVPHBSA-N 0 0 441.579 4.115 20 0 IIADRN O=C1CCC2(CCN(C(F)(F)c3cnc(Cl)cc3Cl)CC2)N1Cc1ccncc1 ZINC001164898778 721505919 /nfs/dbraw/zinc/50/59/19/721505919.db2.gz UZUSHALIQIBEEC-UHFFFAOYSA-N 0 0 441.309 4.490 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164808378 721529444 /nfs/dbraw/zinc/52/94/44/721529444.db2.gz RUCHUVOTSZVZEW-KURKYZTESA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(Cl)nc(Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164804480 721529747 /nfs/dbraw/zinc/52/97/47/721529747.db2.gz JYSRCECGQRWYDD-MDZRGWNJSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2ccnc(Cl)c2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164806114 721532863 /nfs/dbraw/zinc/53/28/63/721532863.db2.gz OBWDGYGZVCDXDP-JFIYKMOQSA-N 0 0 443.325 4.197 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3cc(Cl)ccc32)[C@H]2CCCO[C@@H]12 ZINC001164803038 721553676 /nfs/dbraw/zinc/55/36/76/721553676.db2.gz HLVGJNRCQWZGFT-XUVXKRRUSA-N 0 0 444.366 4.200 20 0 IIADRN CN(C)C(=O)[C@H]1CC12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164903236 721571530 /nfs/dbraw/zinc/57/15/30/721571530.db2.gz PCVQQKNZDUCGNJ-OAHLLOKOSA-N 0 0 438.881 4.176 20 0 IIADRN CN(C)C(=O)[C@@H]1CC12CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)CC2 ZINC001164903235 721571587 /nfs/dbraw/zinc/57/15/87/721571587.db2.gz PCVQQKNZDUCGNJ-HNNXBMFYSA-N 0 0 438.881 4.176 20 0 IIADRN FC(F)(c1cc2ccccc2nc1Cl)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001164903791 721579988 /nfs/dbraw/zinc/57/99/88/721579988.db2.gz NTDUWCCCFKBBEA-OAQYLSRUSA-N 0 0 445.901 4.099 20 0 IIADRN FC(F)(c1cccc2ccnc(Cl)c21)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001164902793 721580193 /nfs/dbraw/zinc/58/01/93/721580193.db2.gz HRCATEPAJKIZGW-NRFANRHFSA-N 0 0 445.901 4.099 20 0 IIADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2-c2ccccc2)[C@@H]2CCCO[C@@H]12 ZINC001164803366 721583291 /nfs/dbraw/zinc/58/32/91/721583291.db2.gz HTBSDXFLNQBMNL-TXTKFYIRSA-N 0 0 435.959 4.060 20 0 IIADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164797869 721599703 /nfs/dbraw/zinc/59/97/03/721599703.db2.gz CPDYLIRVQHQQQE-UHFFFAOYSA-N 0 0 425.892 4.033 20 0 IIADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)COc2ccc(Cl)nn2)C3)c1 ZINC001164799762 721601524 /nfs/dbraw/zinc/60/15/24/721601524.db2.gz KCWKMDPSYQIYGQ-YLJYHZDGSA-N 0 0 438.906 4.124 20 0 IIADRN Cc1nc(Cl)cc(C(F)(F)N2CCC3(CCOC[C@H]3COc3cccnc3)CC2)n1 ZINC001164803166 721603596 /nfs/dbraw/zinc/60/35/96/721603596.db2.gz UKORZBQDLXGHMZ-INIZCTEOSA-N 0 0 438.906 4.080 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(Oc3ccccc3)ncn1)C2 ZINC001164908456 721748937 /nfs/dbraw/zinc/74/89/37/721748937.db2.gz JOQZVHUIIWLFJC-UHFFFAOYSA-N 0 0 427.508 4.452 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(N)cc(Cl)n1)C2 ZINC001164909499 721756076 /nfs/dbraw/zinc/75/60/76/721756076.db2.gz FXMTUERHILJATP-UHFFFAOYSA-N 0 0 433.890 4.045 20 0 IIADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(-c3ccc(F)cc3)ncn1)C2 ZINC001164912556 721761758 /nfs/dbraw/zinc/76/17/58/721761758.db2.gz ZQAKBHQSZYRLRT-UHFFFAOYSA-N 0 0 429.499 4.465 20 0 IIADRN COc1ccc2nc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)c(C)nc2c1 ZINC001164911787 721762761 /nfs/dbraw/zinc/76/27/61/721762761.db2.gz RTTPHDDCYFXDRC-UHFFFAOYSA-N 0 0 429.524 4.130 20 0 IIADRN COc1cc2nc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)ccc2c(OC)c1 ZINC001164912509 721764683 /nfs/dbraw/zinc/76/46/83/721764683.db2.gz YCGBLKIUUDRKIT-UHFFFAOYSA-N 0 0 444.535 4.435 20 0 IIADRN Fc1ccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@H]4COC[C@H]43)c(Cl)nn2)cc1 ZINC001165015360 721764933 /nfs/dbraw/zinc/76/49/33/721764933.db2.gz OVMDRPMGTBZWRJ-IPELMVKDSA-N 0 0 439.865 4.111 20 0 IIADRN O=C(c1ccco1)N1C[C@@H]2CCCN(C(F)(F)c3ccc4ncc(Cl)nc4c3)[C@@H]2C1 ZINC001165016164 721769538 /nfs/dbraw/zinc/76/95/38/721769538.db2.gz OCGCKUYSTORIMD-SUMWQHHRSA-N 0 0 432.858 4.162 20 0 IIADRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)Oc1ccc(Cl)nc1Cl ZINC001165014874 721773063 /nfs/dbraw/zinc/77/30/63/721773063.db2.gz GSNQQWPLGWTTAA-RYUDHWBXSA-N 0 0 432.254 4.147 20 0 IIADRN O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)C2 ZINC001165018074 721784183 /nfs/dbraw/zinc/78/41/83/721784183.db2.gz IDXXHFHPDZAYQT-NRFANRHFSA-N 0 0 443.885 4.247 20 0 IIADRN O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)C2 ZINC001165016345 721785400 /nfs/dbraw/zinc/78/54/00/721785400.db2.gz CFRMZLJEPGUFGG-OAQYLSRUSA-N 0 0 443.885 4.247 20 0 IIADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164914258 721807714 /nfs/dbraw/zinc/80/77/14/721807714.db2.gz BMKIUFGHMCCJOP-GUYCJALGSA-N 0 0 432.254 4.025 20 0 IIADRN Fc1ccc(C(F)(F)N2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)nc1Cl ZINC001164919538 721809051 /nfs/dbraw/zinc/80/90/51/721809051.db2.gz ZETAADONSCGBAR-DETPVDSQSA-N 0 0 433.883 4.076 20 0 IIADRN CCOC(=O)C1(F)CCN(C(F)(F)c2cc(-c3cccc(OC)c3)nnc2Cl)CC1 ZINC001165016073 721835188 /nfs/dbraw/zinc/83/51/88/721835188.db2.gz BMSSNMXKUCAXMI-UHFFFAOYSA-N 0 0 443.853 4.222 20 0 IIADRN O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)CC[C@@H]21)NC1CCC1 ZINC001164934909 721896610 /nfs/dbraw/zinc/89/66/10/721896610.db2.gz UENYUBYFLPPVAJ-AYBZRNKSSA-N 0 0 449.929 4.333 20 0 IIADRN Cc1cc(C(F)(F)N2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)nc(Cl)n1 ZINC001164926506 721898551 /nfs/dbraw/zinc/89/85/51/721898551.db2.gz BTRNNWUSRPBVON-OAQYLSRUSA-N 0 0 443.885 4.119 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C[C@@H]21 ZINC001164946462 721943170 /nfs/dbraw/zinc/94/31/70/721943170.db2.gz VTIMXWSQPRPIEE-PMACEKPBSA-N 0 0 448.901 4.128 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@H]21 ZINC001164943378 721949804 /nfs/dbraw/zinc/94/98/04/721949804.db2.gz NWXUMXZRHBZXKU-MOPGFXCFSA-N 0 0 448.901 4.128 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cc4ccccc4nc3Cl)C[C@@H]21 ZINC001164941744 721951246 /nfs/dbraw/zinc/95/12/46/721951246.db2.gz BTKKYEJFGSRQOW-VQTJNVASSA-N 0 0 448.901 4.128 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(-c4ccsc4)nc4ccccc43)C[C@H]21 ZINC001164947275 721957214 /nfs/dbraw/zinc/95/72/14/721957214.db2.gz PIHOGMUKVUASHV-YADHBBJMSA-N 0 0 447.564 4.053 20 0 IIADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc4c(Cl)ccc(Cl)c4n3)C[C@@H]21 ZINC001164942936 721962342 /nfs/dbraw/zinc/96/23/42/721962342.db2.gz DQBJFJYJJXZRHL-OALUTQOASA-N 0 0 433.339 4.236 20 0 IIADRN O=C(c1cccnc1N1CCCC[C@H]1c1cccnc1)N1CCN(Cc2ccccc2)CC1 ZINC001165046053 721963145 /nfs/dbraw/zinc/96/31/45/721963145.db2.gz HLSRDGFUGDCLCH-VWLOTQADSA-N 0 0 441.579 4.166 20 0 IIADRN COc1cc(C(F)(F)N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)cc(Cl)n1 ZINC001164942416 721965618 /nfs/dbraw/zinc/96/56/18/721965618.db2.gz BRXJRMUZTQDCNP-GHTZIAJQSA-N 0 0 435.902 4.057 20 0 IIADRN COc1ccc(C(F)(F)N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)nc1Cl ZINC001164942956 721966473 /nfs/dbraw/zinc/96/64/73/721966473.db2.gz DSOSNYMWSBZSMA-TZIWHRDSSA-N 0 0 435.902 4.057 20 0 IIADRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3cc(C4CC4)nnc3Cl)C[C@H]12 ZINC001164942537 721967215 /nfs/dbraw/zinc/96/72/15/721967215.db2.gz CUERRCDWRAWTNF-RBBKRZOGSA-N 0 0 446.929 4.321 20 0 IIADRN COC(=O)CCN(c1nc(Cl)nc2c1CN(Cc1ccccc1)CC2)C1CCCC1 ZINC001165049016 721988133 /nfs/dbraw/zinc/98/81/33/721988133.db2.gz SSAIYZBPTVVFGM-UHFFFAOYSA-N 0 0 428.964 4.000 20 0 IIADRN COc1cc(C(F)(F)N2CCN(Cc3cccnc3)c3nc(C)ccc3C2)cc(Cl)n1 ZINC001164949850 722006280 /nfs/dbraw/zinc/00/62/80/722006280.db2.gz AJTWUWCNGMRLDD-UHFFFAOYSA-N 0 0 445.901 4.414 20 0 IIADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCN(CCc2ccccn2)CC1 ZINC001165054789 722019157 /nfs/dbraw/zinc/01/91/57/722019157.db2.gz CJUNCJVEVCPBHG-UHFFFAOYSA-N 0 0 429.902 4.102 20 0 IIADRN Cc1cccc(COC[C@]23CCCO[C@H]2CCN([C@H](F)Oc2cccc(Cl)n2)C3)n1 ZINC001164962747 722026624 /nfs/dbraw/zinc/02/66/24/722026624.db2.gz RUBGMSBOSNOBEA-YUXAGFNASA-N 0 0 435.927 4.158 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1c[nH]c2nc(Cl)ccc12 ZINC001164956282 722028885 /nfs/dbraw/zinc/02/88/85/722028885.db2.gz DEOJFYWLNXLXTR-ZMSDIMECSA-N 0 0 438.837 4.111 20 0 IIADRN Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001164958351 722030031 /nfs/dbraw/zinc/03/00/31/722030031.db2.gz OOVLGANRBJGVLW-JFIYKMOQSA-N 0 0 439.865 4.204 20 0 IIADRN O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001164957092 722034011 /nfs/dbraw/zinc/03/40/11/722034011.db2.gz LMRPBQULDYOUQP-GCJKJVERSA-N 0 0 442.897 4.361 20 0 IIADRN O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001164957072 722034249 /nfs/dbraw/zinc/03/42/49/722034249.db2.gz LAUHFDSSKOQBKZ-DENIHFKCSA-N 0 0 442.897 4.361 20 0 IIADRN Cc1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CC[C@H](C1)C2C(=O)NCCc1cccs1 ZINC001164963720 722038776 /nfs/dbraw/zinc/03/87/76/722038776.db2.gz RQIPYRRLAFOPTD-RTHVDDQRSA-N 0 0 439.959 4.471 20 0 IIADRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4nc(C)c(C)c(Cl)n4)C3)CC2=O)s1 ZINC001164962892 722044255 /nfs/dbraw/zinc/04/42/55/722044255.db2.gz QCRDUXSKEDWMLP-GOSISDBHSA-N 0 0 426.920 4.295 20 0 IIADRN O=C(c1ccco1)N1CC[C@H]2CN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C[C@H]21 ZINC001164961437 722048513 /nfs/dbraw/zinc/04/85/13/722048513.db2.gz ZMYJATCRUXFHHE-MAUKXSAKSA-N 0 0 444.869 4.286 20 0 IIADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCc2onc(Cn3cccn3)c2C1 ZINC001164959622 722050566 /nfs/dbraw/zinc/05/05/66/722050566.db2.gz NDWZCLHAKGBYSY-UHFFFAOYSA-N 0 0 434.661 4.382 20 0 IIADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCc2onc(Cn3cccn3)c2C1 ZINC001164960523 722050754 /nfs/dbraw/zinc/05/07/54/722050754.db2.gz REJWVRIWDNQCMO-UHFFFAOYSA-N 0 0 448.886 4.199 20 0 IIADRN Cc1cncc(COCc2cnc3n2CCN([C@H](F)Oc2cccc(Cl)n2)[C@H]3C)c1 ZINC001164966466 722063204 /nfs/dbraw/zinc/06/32/04/722063204.db2.gz UOFGBHLARAULPW-BTYIYWSLSA-N 0 0 431.899 4.060 20 0 IIADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001164968616 722082958 /nfs/dbraw/zinc/08/29/58/722082958.db2.gz FQQZJHQDPBCEPQ-UHFFFAOYSA-N 0 0 443.841 4.353 20 0 IIADRN CC(=O)N1CCC[C@@]2(C1)CN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)CCO2 ZINC001164968565 722084296 /nfs/dbraw/zinc/08/42/96/722084296.db2.gz DRZFZNUMWYQDHV-LJQANCHMSA-N 0 0 441.931 4.226 20 0 IIADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C[C@H]2C1 ZINC001164977709 722085957 /nfs/dbraw/zinc/08/59/57/722085957.db2.gz XSMZBMCUKHARJK-BJWYYQGGSA-N 0 0 446.929 4.473 20 0 IIADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)COc1ccnc(Cl)c1)CC2 ZINC001164972363 722091445 /nfs/dbraw/zinc/09/14/45/722091445.db2.gz GMBUJMIBISGDNT-INIZCTEOSA-N 0 0 427.923 4.115 20 0 IIADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)CC2 ZINC001164977651 722091698 /nfs/dbraw/zinc/09/16/98/722091698.db2.gz VFTAPQISCSEPBT-CQSZACIVSA-N 0 0 447.357 4.327 20 0 IIADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)CC2 ZINC001164972303 722091850 /nfs/dbraw/zinc/09/18/50/722091850.db2.gz FPQGBKDTKQGCJI-MRXNPFEDSA-N 0 0 438.950 4.465 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@H]21 ZINC001164985390 722096963 /nfs/dbraw/zinc/09/69/63/722096963.db2.gz YXZMGZNERZNLRR-PMUMKWKESA-N 0 0 441.309 4.479 20 0 IIADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C[C@H]21 ZINC001164982335 722098392 /nfs/dbraw/zinc/09/83/92/722098392.db2.gz NOMOBUVUSLVOSU-NLWGTHIKSA-N 0 0 446.929 4.401 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cc(C)cc(Cl)n4)CC[C@H]32)cs1 ZINC001164985954 722183648 /nfs/dbraw/zinc/18/36/48/722183648.db2.gz CQLSMRDVZFVHCA-IAGOWNOFSA-N 0 0 442.963 4.223 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cc(C)cc(Cl)n4)CC[C@@H]32)cs1 ZINC001164985955 722183690 /nfs/dbraw/zinc/18/36/90/722183690.db2.gz CQLSMRDVZFVHCA-IRXDYDNUSA-N 0 0 442.963 4.223 20 0 IIADRN CSc1cc(Cl)cnc1N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164991865 722184762 /nfs/dbraw/zinc/18/47/62/722184762.db2.gz VCOQMRBIPXPQGE-DLBZAZTESA-N 0 0 425.023 4.092 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C(F)F)nc5ccccc54)CC[C@@H]32)cs1 ZINC001164986441 722185530 /nfs/dbraw/zinc/18/55/30/722185530.db2.gz FLTROTFYYVCKGS-RBUKOAKNSA-N 0 0 445.539 4.202 20 0 IIADRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(-c5cc(C)ccc5C)nn4)CC[C@H]32)cs1 ZINC001164990710 722185567 /nfs/dbraw/zinc/18/55/67/722185567.db2.gz RUWCZYYLDVVACJ-RPWUZVMVSA-N 0 0 449.624 4.395 20 0 IIADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc5nc(Cl)cnc5cc4F)CC[C@H]32)cs1 ZINC001164988183 722185661 /nfs/dbraw/zinc/18/56/61/722185661.db2.gz MMWVBCPNTQOGBS-UYAOXDASSA-N 0 0 447.967 4.057 20 0 IIADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164990973 722187466 /nfs/dbraw/zinc/18/74/66/722187466.db2.gz NRWKFSFPMJEGEM-AWEZNQCLSA-N 0 0 436.330 4.035 20 0 IIADRN COc1nnc(Cl)cc1C(F)(F)N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164997531 722213105 /nfs/dbraw/zinc/21/31/05/722213105.db2.gz RKASSSLVFONUFF-IBGZPJMESA-N 0 0 426.870 4.068 20 0 IIADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(C(F)(F)c1ccc(Cl)nn1)CC2 ZINC001164998224 722221017 /nfs/dbraw/zinc/22/10/17/722221017.db2.gz HIAFISPOVKBSKM-LJQANCHMSA-N 0 0 432.902 4.255 20 0 IIADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN([C@@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164998969 722221175 /nfs/dbraw/zinc/22/11/75/722221175.db2.gz NIXNVIVTWHJSCB-IFMALSPDSA-N 0 0 429.923 4.443 20 0 IIADRN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN([C@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164998858 722221449 /nfs/dbraw/zinc/22/14/49/722221449.db2.gz MFYHAGQPJRQQKH-IRLDBZIGSA-N 0 0 429.923 4.443 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cnc(Cl)cc2Cl)n1 ZINC001165001256 722226047 /nfs/dbraw/zinc/22/60/47/722226047.db2.gz XQBYSPUAAPSAAO-AWEZNQCLSA-N 0 0 432.302 4.147 20 0 IIADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cc(Cl)ncc2Cl)n1 ZINC001165001314 722226053 /nfs/dbraw/zinc/22/60/53/722226053.db2.gz ZAWNJUAQZGNSGZ-AWEZNQCLSA-N 0 0 432.302 4.147 20 0 IIADRN CC(C)CN1c2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3C(N)=O)CC[C@@H]21 ZINC001165003273 722245864 /nfs/dbraw/zinc/24/58/64/722245864.db2.gz IXFKACCWQSOSHL-LPHOPBHVSA-N 0 0 434.918 4.217 20 0 IIADRN CSc1cc2c(cc1C[NH2+][C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-])OCCO2 ZINC000426740268 1126085386 /nfs/dbraw/zinc/08/53/86/1126085386.db2.gz ANKGLOZBAMORPF-HNNXBMFYSA-N 0 0 428.337 4.272 20 0 IIADRN COc1ccc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])cc1OCC(C)C ZINC000426716136 1126081854 /nfs/dbraw/zinc/08/18/54/1126081854.db2.gz KTBJTBQEFFMPPR-GOSISDBHSA-N 0 0 436.346 4.278 20 0 IIADRN COc1ccc(C[NH2+][C@@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])cc1OC ZINC000426729100 1126083789 /nfs/dbraw/zinc/08/37/89/1126083789.db2.gz ZZAGCPGMYMZUJP-KRWDZBQOSA-N 0 0 432.929 4.266 20 0 IIADRN O=C([O-])[C@@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000426738793 1126085497 /nfs/dbraw/zinc/08/54/97/1126085497.db2.gz YXOHBVBWKSAVMO-LJQANCHMSA-N 0 0 442.972 4.244 20 0 IIADRN COc1ccccc1-c1ccc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000426730790 1126084106 /nfs/dbraw/zinc/08/41/06/1126084106.db2.gz MIYDQSZFCQYPBV-QFIPXVFZSA-N 0 0 433.504 4.309 20 0 IIADRN O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426741959 1126085573 /nfs/dbraw/zinc/08/55/73/1126085573.db2.gz NTLVIBDKWNGEDF-QGZVFWFLSA-N 0 0 443.693 4.152 20 0 IIADRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000426759490 1126088576 /nfs/dbraw/zinc/08/85/76/1126088576.db2.gz WSFISINTZSHKFG-HXUWFJFHSA-N 0 0 429.289 4.436 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(Br)cc1F ZINC000426762279 1126088746 /nfs/dbraw/zinc/08/87/46/1126088746.db2.gz IWLCNCIMPOXAJF-HNNXBMFYSA-N 0 0 431.099 4.136 20 0 IIADRN COc1cc(C)c(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])cc1OC ZINC000426791454 1126090649 /nfs/dbraw/zinc/09/06/49/1126090649.db2.gz IPLNBDNIYIBXEP-GOSISDBHSA-N 0 0 447.329 4.042 20 0 IIADRN CCOc1c(Cl)cc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])cc1OC ZINC000426746842 1126086515 /nfs/dbraw/zinc/08/65/15/1126086515.db2.gz KZAIBKCIZMZBHA-INIZCTEOSA-N 0 0 442.737 4.295 20 0 IIADRN Cc1cc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])ccc1Br ZINC000426753936 1126087662 /nfs/dbraw/zinc/08/76/62/1126087662.db2.gz MCTNAFKGDIONPV-INIZCTEOSA-N 0 0 427.136 4.306 20 0 IIADRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000426756069 1126087943 /nfs/dbraw/zinc/08/79/43/1126087943.db2.gz HRMBPMWWPLLJED-HNNXBMFYSA-N 0 0 431.099 4.136 20 0 IIADRN O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000426802567 1126091284 /nfs/dbraw/zinc/09/12/84/1126091284.db2.gz WLPDFEWDDVVJGV-QGZVFWFLSA-N 0 0 439.256 4.317 20 0 IIADRN O=C([O-])[C@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1ccc(Br)o1 ZINC000426805727 1126091502 /nfs/dbraw/zinc/09/15/02/1126091502.db2.gz FECWNYKMNYVYJB-AWEZNQCLSA-N 0 0 442.107 4.071 20 0 IIADRN COc1ccc(C[NH2+][C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])cc1OCc1cccnc1 ZINC000426809835 1126091737 /nfs/dbraw/zinc/09/17/37/1126091737.db2.gz WTNJAWIJTPQSMD-JOCHJYFZSA-N 0 0 449.482 4.075 20 0 IIADRN CC(C)(C)c1nc(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])cs1 ZINC000426810238 1126091758 /nfs/dbraw/zinc/09/17/58/1126091758.db2.gz YJBGWPDVVBKKGQ-MRXNPFEDSA-N 0 0 436.375 4.470 20 0 IIADRN Cc1ccccc1COc1c(C)cc(C[NH2+][C@H](Cn2cc(Cl)cn2)C(=O)[O-])cc1C ZINC001343647345 1126181906 /nfs/dbraw/zinc/18/19/06/1126181906.db2.gz BCNIZVIFWUIXCM-OAQYLSRUSA-N 0 0 427.932 4.284 20 0 IIADRN O[C@H]([C@H](Cc1ccccc1)NCc1nc2cc(Br)ccc2o1)C(F)(F)F ZINC001620534679 1126240625 /nfs/dbraw/zinc/24/06/25/1126240625.db2.gz SLRWVKZWPKKVSL-WMLDXEAASA-N 0 0 429.236 4.214 20 0 IIADRN COc1ccc(-c2noc(CCCC(=O)N3CCN(c4cc(C)ccc4C)CC3)n2)cc1 ZINC000059201521 563146319 /nfs/dbraw/zinc/14/63/19/563146319.db2.gz DPDKVEXRHDIOOW-UHFFFAOYSA-N 0 0 434.540 4.034 20 0 IIADRN Cc1cc(CN2CCN(C(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CC2)no1 ZINC000032845232 569584471 /nfs/dbraw/zinc/58/44/71/569584471.db2.gz ZFZAZTQBMQYPDS-UHFFFAOYSA-N 0 0 446.429 4.147 20 0 IIADRN