smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C#N)c2ccccc2n1CCOc1cc(C)ccc1C(C)C ZINC000000029017 563966510 /nfs/dbraw/zinc/96/65/10/563966510.db2.gz ACJAMUBYMWZNBU-UHFFFAOYSA-N 0 0 332.447 5.332 50 30 EKEARN Cc1nn(-c2ccccc2)c(C)c1/N=C/c1c(O)ccc2ccccc21 ZINC000000032094 258047457 /nfs/dbraw/zinc/04/74/57/258047457.db2.gz CUFROPAPALHYCN-OEAKJJBVSA-N 0 0 341.414 5.099 50 30 EKEARN N#Cc1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N ZINC000000032510 564132705 /nfs/dbraw/zinc/13/27/05/564132705.db2.gz XUELJJXNKKQMDI-UHFFFAOYSA-N 0 0 327.412 5.084 50 30 EKEARN N#Cc1c(SCc2ccccc2)nc2c(c1[C@@H]1CC=CCC1)CCC2 ZINC000000032618 208552314 /nfs/dbraw/zinc/55/23/14/208552314.db2.gz DNYHNLNNZHCLDN-QGZVFWFLSA-N 0 0 346.499 5.558 50 30 EKEARN N#Cc1c(SCc2ccccc2)nc2c(c1[C@H]1CC=CCC1)CCC2 ZINC000000032619 201425028 /nfs/dbraw/zinc/42/50/28/201425028.db2.gz DNYHNLNNZHCLDN-KRWDZBQOSA-N 0 0 346.499 5.558 50 30 EKEARN N#Cc1ccc(-c2ccccc2)nc1SCc1ccccc1Cl ZINC000000033165 563967736 /nfs/dbraw/zinc/96/77/36/563967736.db2.gz CUXWSENSMNTTBM-UHFFFAOYSA-N 0 0 336.847 5.566 50 30 EKEARN Cc1ccc(-c2cc3cc(C)c(C#N)c(N4CCCCCC4)n3c2)cc1 ZINC000000033696 201424731 /nfs/dbraw/zinc/42/47/31/201424731.db2.gz VVZZBLVBTLBSKW-UHFFFAOYSA-N 0 0 343.474 5.475 50 30 EKEARN Cc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C#N)c1C ZINC000000035601 564132725 /nfs/dbraw/zinc/13/27/25/564132725.db2.gz WTKJHHGKFRIJNN-UHFFFAOYSA-N 0 0 332.428 5.156 50 30 EKEARN N#Cc1c2c(sc1/N=C/c1ccc(Br)cc1)CCCC2 ZINC000000037104 208554221 /nfs/dbraw/zinc/55/42/21/208554221.db2.gz BCISGWNGZNMZBV-VXLYETTFSA-N 0 0 345.265 5.012 50 30 EKEARN Cc1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c(C)c1 ZINC000000037431 563968398 /nfs/dbraw/zinc/96/83/98/563968398.db2.gz CEKHTIJKKOHJEH-CIAFOILYSA-N 0 0 334.375 5.531 50 30 EKEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccc(Cl)c2)c1 ZINC000000038075 564074477 /nfs/dbraw/zinc/07/44/77/564074477.db2.gz JPVXQQIRXPTSKW-UHFFFAOYSA-N 0 0 328.843 5.430 50 30 EKEARN COc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(C)cc2)c1C#N ZINC000000042612 564132703 /nfs/dbraw/zinc/13/27/03/564132703.db2.gz NQYKCSVPCAIGJK-UHFFFAOYSA-N 0 0 334.806 5.258 50 30 EKEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000000044893 201427114 /nfs/dbraw/zinc/42/71/14/201427114.db2.gz GXMKSUDFGCQHPL-UHFFFAOYSA-N 0 0 334.758 5.063 50 30 EKEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(-c2ccccc2Cl)o1 ZINC000000044894 209387588 /nfs/dbraw/zinc/38/75/88/209387588.db2.gz KHPCNKADUALUGE-UHFFFAOYSA-N 0 0 334.758 5.063 50 30 EKEARN Cc1ccccc1Oc1cc(C#N)c(C#N)cc1Oc1ccccc1C ZINC000000045146 209388585 /nfs/dbraw/zinc/38/85/85/209388585.db2.gz DXNHSGWCUCJBTO-UHFFFAOYSA-N 0 0 340.382 5.631 50 30 EKEARN Clc1ccc(-c2csc(N=NCc3ccco3)n2)cc1Cl ZINC000000045498 209388523 /nfs/dbraw/zinc/38/85/23/209388523.db2.gz OQVKCXIBRMZBGR-REZTVBANSA-N 0 0 338.219 5.156 50 30 EKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cccc(C)c1 ZINC000000045600 209388632 /nfs/dbraw/zinc/38/86/32/209388632.db2.gz OVUOSXUZUJRDPH-UHFFFAOYSA-N 0 0 340.430 5.282 50 30 EKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)cc1 ZINC000000045601 564132720 /nfs/dbraw/zinc/13/27/20/564132720.db2.gz GRCLZRRIQDFDAS-UHFFFAOYSA-N 0 0 340.430 5.282 50 30 EKEARN FC(F)(F)Oc1ccc(/N=C/c2ccc(Br)cc2)cc1 ZINC000000045815 209387725 /nfs/dbraw/zinc/38/77/25/209387725.db2.gz CONDWKZBVSCGSF-DJKKODMXSA-N 0 0 344.130 5.098 50 30 EKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(OC)cc3)ccc21 ZINC000000046062 209388304 /nfs/dbraw/zinc/38/83/04/209388304.db2.gz GPOLVRIZLLMMCX-HZHRSRAPSA-N 0 0 328.415 5.574 50 30 EKEARN CSc1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1 ZINC000000046088 563213268 /nfs/dbraw/zinc/21/32/68/563213268.db2.gz QKCJCPXWAUIWFD-RQZCQDPDSA-N 0 0 340.673 5.575 50 30 EKEARN C=C(C)CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N ZINC000000046103 209388439 /nfs/dbraw/zinc/38/84/39/209388439.db2.gz HGOOQPFGDIVMOP-UHFFFAOYSA-N 0 0 348.496 6.017 50 30 EKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SC)c2C#N)cc1 ZINC000000046104 564132713 /nfs/dbraw/zinc/13/27/13/564132713.db2.gz UMZVQFMGYNKIKV-UHFFFAOYSA-N 0 0 332.428 5.018 50 30 EKEARN N#Cc1c(=S)[nH]c(-c2ccc3ccccc3c2)cc1-c1cccs1 ZINC000000046105 518196381 /nfs/dbraw/zinc/19/63/81/518196381.db2.gz YPZOKOXUTIQMBL-UHFFFAOYSA-N 0 0 344.464 6.165 50 30 EKEARN C(=N/c1cccc2c(/N=C/c3cccs3)cccc12)\c1cccs1 ZINC000000046226 209388410 /nfs/dbraw/zinc/38/84/10/209388410.db2.gz WHOFHRYOTYNCSS-JFMUQQRKSA-N 0 0 346.480 6.464 50 30 EKEARN CCN(CC)c1ccc(/N=C/c2ccc(Br)s2)cc1 ZINC000000046321 209387776 /nfs/dbraw/zinc/38/77/76/209387776.db2.gz WIMRIXPNKTXCQC-GZTJUZNOSA-N 0 0 337.286 5.107 50 30 EKEARN Cc1cc(C)c(/C=N/c2ccccc2C(=O)Nc2ccccc2)c(C)c1 ZINC000000046515 209389822 /nfs/dbraw/zinc/38/98/22/209389822.db2.gz NVEFPYGPEHQCHF-BUVRLJJBSA-N 0 0 342.442 5.615 50 30 EKEARN COc1ccc(-c2cc(-c3cccs3)nc(SC)c2C#N)cc1 ZINC000000047867 209388929 /nfs/dbraw/zinc/38/89/29/209388929.db2.gz UPILETBJBCYAMR-UHFFFAOYSA-N 0 0 338.457 5.079 50 30 EKEARN Cc1cccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000000050080 209390144 /nfs/dbraw/zinc/39/01/44/209390144.db2.gz KKAWIZLSBGNQBZ-OEAKJJBVSA-N 0 0 335.834 5.978 50 30 EKEARN Cc1ccc2nc(/N=C/c3ccc(Br)cc3)sc2c1 ZINC000000050178 209390774 /nfs/dbraw/zinc/39/07/74/209390774.db2.gz YLPULJUXZRJKOS-RQZCQDPDSA-N 0 0 331.238 5.118 50 30 EKEARN Cc1ccc(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000000050211 209390883 /nfs/dbraw/zinc/39/08/83/209390883.db2.gz BGHWGEYYNPQWOK-RGVLZGJSSA-N 0 0 340.766 5.567 50 30 EKEARN Nc1c(Cl)cc(/N=C/c2ccc(Cl)cc2Cl)cc1Cl ZINC000000050463 209390626 /nfs/dbraw/zinc/39/06/26/209390626.db2.gz WHSAHIVMOXDAPU-KPSZGOFPSA-N 0 0 334.033 5.633 50 30 EKEARN COc1cc(/N=C/c2ccc(Cl)cc2Cl)c(OC)cc1Cl ZINC000000051397 563970650 /nfs/dbraw/zinc/97/06/50/563970650.db2.gz YNYWKMODKFSJSQ-UFWORHAWSA-N 0 0 344.625 5.415 50 30 EKEARN COc1cccc(/N=C/C2=C3N(CCC2)c2ccccc2C3(C)C)c1 ZINC000000055619 209392864 /nfs/dbraw/zinc/39/28/64/209392864.db2.gz SXMTVXJSFQFYLH-HZHRSRAPSA-N 0 0 332.447 5.243 50 30 EKEARN O=C1C=CC2(C=C1)CC1(CCCCC1)N=C2SCc1ccccc1 ZINC000000056260 209392714 /nfs/dbraw/zinc/39/27/14/209392714.db2.gz DDVZBQWSJSPHSN-UHFFFAOYSA-N 0 0 337.488 5.106 50 30 EKEARN CC(C)(c1ccccc1)c1ccc(Oc2ccc(C#N)c(C#N)c2)cc1 ZINC000000056908 201427939 /nfs/dbraw/zinc/42/79/39/201427939.db2.gz IANCXVAWMHHHKK-UHFFFAOYSA-N 0 0 338.410 5.548 50 30 EKEARN Cc1ccc2sc(-c3ccc(/N=C/c4ccccc4O)cc3)nc2c1 ZINC000000058444 209394740 /nfs/dbraw/zinc/39/47/40/209394740.db2.gz FGIFLAXYTXEONF-LPYMAVHISA-N 0 0 344.439 5.728 50 30 EKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)cc1C ZINC000000058450 209394006 /nfs/dbraw/zinc/39/40/06/209394006.db2.gz HISNNKJTWUXPFT-YDZHTSKRSA-N 0 0 342.398 5.568 50 30 EKEARN N#Cc1c(Br)nc(-c2cccs2)cc1-c1ccccc1 ZINC000000058479 209394980 /nfs/dbraw/zinc/39/49/80/209394980.db2.gz HFWBJAZLWOURQE-UHFFFAOYSA-N 0 0 341.233 5.111 50 30 EKEARN Cc1ccc(O)c(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1 ZINC000000058617 209394548 /nfs/dbraw/zinc/39/45/48/209394548.db2.gz FZNNZRXIQQDTNG-LPYMAVHISA-N 0 0 328.371 5.259 50 30 EKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccccc4O)cc3)oc2c1 ZINC000000058631 209394425 /nfs/dbraw/zinc/39/44/25/209394425.db2.gz NDOWSGYBSKWNCG-LPYMAVHISA-N 0 0 328.371 5.259 50 30 EKEARN Cc1ccc(/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 ZINC000000058970 209395000 /nfs/dbraw/zinc/39/50/00/209395000.db2.gz IBEFTVWPTGJHEO-OEAKJJBVSA-N 0 0 349.817 5.618 50 30 EKEARN CC(=O)c1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000000058972 209394380 /nfs/dbraw/zinc/39/43/80/209394380.db2.gz ABOZFKFLZRTOEK-HZHRSRAPSA-N 0 0 329.399 5.219 50 30 EKEARN Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Cl ZINC000000059103 209394818 /nfs/dbraw/zinc/39/48/18/209394818.db2.gz MJPMPZDJOLQOFR-IFRROFPPSA-N 0 0 334.124 5.468 50 30 EKEARN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000000059109 201427381 /nfs/dbraw/zinc/42/73/81/201427381.db2.gz DHZHGKWCYJKMBE-OEAKJJBVSA-N 0 0 335.834 5.978 50 30 EKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c(C)c1 ZINC000000059131 525968879 /nfs/dbraw/zinc/96/88/79/525968879.db2.gz XGAHCHPBSWKFPU-HZHRSRAPSA-N 0 0 329.399 5.273 50 30 EKEARN CC(=O)c1cc(C#N)c(SCc2ccc(C(C)(C)C)cc2)nc1C ZINC000000059301 209394063 /nfs/dbraw/zinc/39/40/63/209394063.db2.gz VXPPKDNHOVICFG-UHFFFAOYSA-N 0 0 338.476 5.054 50 30 EKEARN COc1ccc([N+](=O)[O-])cc1/C=N/c1ccc(-c2ccccc2)cc1 ZINC000000060053 563971311 /nfs/dbraw/zinc/97/13/11/563971311.db2.gz ZJRLZALSZRFIKE-KGENOOAVSA-N 0 0 332.359 5.021 50 30 EKEARN O=[N+]([O-])c1cc(/N=C/c2ccc(Cl)cc2Cl)ccc1Cl ZINC000000060108 563214167 /nfs/dbraw/zinc/21/41/67/563214167.db2.gz HZXGKASMYDKIBD-REZTVBANSA-N 0 0 329.570 5.306 50 30 EKEARN N#Cc1c(/N=C/c2ccccc2O)oc(-c2ccoc2)c1-c1ccco1 ZINC000000060361 563971323 /nfs/dbraw/zinc/97/13/23/563971323.db2.gz LINMQIBFDVOKFP-SSDVNMTOSA-N 0 0 344.326 5.127 50 30 EKEARN Oc1ccc2ccccc2c1/C=N/c1cccc(Br)c1 ZINC000000061273 209394837 /nfs/dbraw/zinc/39/48/37/209394837.db2.gz IFCQGLWWMCKCFN-YBFXNURJSA-N 0 0 326.193 5.059 50 30 EKEARN Oc1ccc(Br)cc1/C=N/c1cccc2ccccc21 ZINC000000061551 209395700 /nfs/dbraw/zinc/39/57/00/209395700.db2.gz BZFLBXIMBJCOFL-YBFXNURJSA-N 0 0 326.193 5.059 50 30 EKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1C ZINC000000061683 525967756 /nfs/dbraw/zinc/96/77/56/525967756.db2.gz HIOWBALUHLWKEB-HZHRSRAPSA-N 0 0 329.399 5.273 50 30 EKEARN Cc1cccc(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c1 ZINC000000061696 524156141 /nfs/dbraw/zinc/15/61/41/524156141.db2.gz GAAICHADJJZXOG-OEAKJJBVSA-N 0 0 335.834 5.978 50 30 EKEARN Cc1ccccc1-c1nc2cc(/N=C/c3ccccc3O)ccc2o1 ZINC000000061745 209395520 /nfs/dbraw/zinc/39/55/20/209395520.db2.gz BOAJBCSRDVUCFN-LPYMAVHISA-N 0 0 328.371 5.259 50 30 EKEARN Cc1ccc(O)c(/C=N/c2cccc(-c3nc4c(cccc4C)o3)c2)c1 ZINC000000061808 209395302 /nfs/dbraw/zinc/39/53/02/209395302.db2.gz UDSNHHAIYSEULX-YDZHTSKRSA-N 0 0 342.398 5.568 50 30 EKEARN Cc1cccc(/N=C/c2ccc(-c3cc(C)c([N+](=O)[O-])cc3C)o2)c1C ZINC000000062879 209396273 /nfs/dbraw/zinc/39/62/73/209396273.db2.gz TUFRZUKJSWBTHU-WSDLNYQXSA-N 0 0 348.402 5.839 50 30 EKEARN Cc1ccsc1/C=N/c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000000063020 209395971 /nfs/dbraw/zinc/39/59/71/209395971.db2.gz MYQIYOYWZHVBTB-CIAFOILYSA-N 0 0 339.847 5.692 50 30 EKEARN O=C1c2ccccc2S/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000063141 209396083 /nfs/dbraw/zinc/39/60/83/209396083.db2.gz QCKAAFHBABAJIP-WQRHYEAKSA-N 0 0 338.815 5.930 50 30 EKEARN CCOC(=O)c1ccc(/N=C/c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000000063318 209396197 /nfs/dbraw/zinc/39/61/97/209396197.db2.gz NIFCKCMPTZZVTK-BUVRLJJBSA-N 0 0 341.410 5.185 50 30 EKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(Cl)cc3)ccc21 ZINC000000064085 201428575 /nfs/dbraw/zinc/42/85/75/201428575.db2.gz MRSACZRPQRPICX-OEAKJJBVSA-N 0 0 332.834 6.218 50 30 EKEARN Cc1[nH]c2ccccc2c1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000000064459 209397120 /nfs/dbraw/zinc/39/71/20/209397120.db2.gz PYOJOSHAWAOHQD-HZHRSRAPSA-N 0 0 326.399 6.019 50 30 EKEARN N#Cc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000000064471 209396646 /nfs/dbraw/zinc/39/66/46/209396646.db2.gz RXRLSWWNGUMZCJ-KOEQRZSOSA-N 0 0 348.409 5.162 50 30 EKEARN CCOc1ccc(/N=C/c2ccc3c(c2)c2ccccc2n3CC)cc1 ZINC000000065097 563214359 /nfs/dbraw/zinc/21/43/59/563214359.db2.gz KVQQCVMZEXAZNH-LFVJCYFKSA-N 0 0 342.442 5.964 50 30 EKEARN COc1ccc(/C=N/c2ccc(Br)cc2)c2ccccc12 ZINC000000065176 209397299 /nfs/dbraw/zinc/39/72/99/209397299.db2.gz CZNLBHAZRKLTEI-UDWIEESQSA-N 0 0 340.220 5.362 50 30 EKEARN COc1ccc(/C=N/c2cc(Cl)cc(Cl)c2)c2ccccc12 ZINC000000065330 201429024 /nfs/dbraw/zinc/42/90/24/201429024.db2.gz QBHQGEWCTITJST-SRZZPIQSSA-N 0 0 330.214 5.906 50 30 EKEARN O=[N+]([O-])c1cc(/C=N/c2cc(Cl)cc(Cl)c2)ccc1Cl ZINC000000065335 209397473 /nfs/dbraw/zinc/39/74/73/209397473.db2.gz VQMAHYUXPYNCIQ-REZTVBANSA-N 0 0 329.570 5.306 50 30 EKEARN COc1ccc2ccccc2c1/C=N/c1ccc(Br)cc1 ZINC000000065415 563214412 /nfs/dbraw/zinc/21/44/12/563214412.db2.gz PPLUGHIPFDAJAY-UDWIEESQSA-N 0 0 340.220 5.362 50 30 EKEARN COc1ccc2ccccc2c1/C=N/c1ccc(Cl)cc1Cl ZINC000000065496 209397416 /nfs/dbraw/zinc/39/74/16/209397416.db2.gz DAPXYNLLCJJGQA-SRZZPIQSSA-N 0 0 330.214 5.906 50 30 EKEARN CCOc1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1 ZINC000000065600 520859819 /nfs/dbraw/zinc/85/98/19/520859819.db2.gz WYNNYYTUGQCFQT-XQNSMLJCSA-N 0 0 331.415 5.415 50 30 EKEARN O=C(Nc1ccccc1)c1ccccc1/N=C/c1ccc(Cl)cc1 ZINC000000065649 209397453 /nfs/dbraw/zinc/39/74/53/209397453.db2.gz NLSCTDHBTGEIAR-HYARGMPZSA-N 0 0 334.806 5.343 50 30 EKEARN CCN(CC)c1ccc(/C=N/c2ccc(Cl)c(Cl)c2)c(O)c1 ZINC000000065656 209397008 /nfs/dbraw/zinc/39/70/08/209397008.db2.gz MJCCPDRACCGOHT-RGVLZGJSSA-N 0 0 337.250 5.296 50 30 EKEARN CC(=O)c1ccc(N=Cc2ccccc2OCc2ccccc2)cc1 ZINC000000065711 518299125 /nfs/dbraw/zinc/29/91/25/518299125.db2.gz RTEPXVCWGZNCPF-HZHRSRAPSA-N 0 0 329.399 5.219 50 30 EKEARN CCN(CC)c1ccc(/N=C/c2c(OC)ccc3ccccc32)cc1 ZINC000000065898 209397265 /nfs/dbraw/zinc/39/72/65/209397265.db2.gz CYYZCUSPPVOCPQ-XQNSMLJCSA-N 0 0 332.447 5.445 50 30 EKEARN COc1ccc2ccccc2c1/C=N/c1cc(Cl)cc(Cl)c1 ZINC000000066016 209396769 /nfs/dbraw/zinc/39/67/69/209396769.db2.gz QIMWPIHKVNMLCB-SRZZPIQSSA-N 0 0 330.214 5.906 50 30 EKEARN CCOc1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1 ZINC000000066122 209397378 /nfs/dbraw/zinc/39/73/78/209397378.db2.gz GFYWRJXJLZCAEN-VCHYOVAHSA-N 0 0 338.632 5.252 50 30 EKEARN N#Cc1c(-c2cccs2)cc(C2CC2)nc1SCc1ccccc1 ZINC000000067515 563971962 /nfs/dbraw/zinc/97/19/62/563971962.db2.gz VDLKRULMHOVDRL-UHFFFAOYSA-N 0 0 348.496 5.851 50 30 EKEARN O=C(/C(=N\N=C\c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 ZINC000000067728 209398055 /nfs/dbraw/zinc/39/80/55/209398055.db2.gz KWQRBQAHDAEYIK-XZIKTUPWSA-N 0 0 346.817 5.046 50 30 EKEARN O=C(/C=C/Sc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000000068406 201429801 /nfs/dbraw/zinc/42/98/01/201429801.db2.gz WOXUDYOBUJGEFY-CMDGGOBGSA-N 0 0 331.849 5.438 50 30 EKEARN O=C(/C=C/Sc1nc2cc(Cl)ccc2s1)c1ccc(F)cc1 ZINC000000068418 209399261 /nfs/dbraw/zinc/39/92/61/209399261.db2.gz YKPVOKDNUDAZRA-BQYQJAHWSA-N 0 0 349.839 5.578 50 30 EKEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000000068960 209399679 /nfs/dbraw/zinc/39/96/79/209399679.db2.gz UPZCMQRQZCIHBV-UHFFFAOYSA-N 0 0 334.758 5.063 50 30 EKEARN CSc1ccc(/C=N/c2c(-c3ccco3)nc3ccccn32)cc1 ZINC000000069157 209399399 /nfs/dbraw/zinc/39/93/99/209399399.db2.gz GECWOBZFOJRLIX-DEDYPNTBSA-N 0 0 333.416 5.067 50 30 EKEARN CC(=O)N(c1ccc(C2CCCCC2)cc1)c1nc(C)cc(C)c1C#N ZINC000000069700 209399193 /nfs/dbraw/zinc/39/91/93/209399193.db2.gz GXXLLXYQRQTPJW-UHFFFAOYSA-N 0 0 347.462 5.302 50 30 EKEARN CCOc1ccc2ccccc2c1/C=C1\Sc2ccccc2C1=O ZINC000000069743 209399894 /nfs/dbraw/zinc/39/98/94/209399894.db2.gz QESSROFUPARMCR-MOSHPQCFSA-N 0 0 332.424 5.568 50 30 EKEARN Clc1ccccc1/C=N/c1ccc(Br)cc1Cl ZINC000000072500 563215817 /nfs/dbraw/zinc/21/58/17/563215817.db2.gz LMVODAWNWLKLNS-CAOOACKPSA-N 0 0 329.024 5.507 50 30 EKEARN C[C@H]1CCc2c(C#N)c(/N=C/c3cc4ccccc4s3)sc2C1 ZINC000000074239 201429758 /nfs/dbraw/zinc/42/97/58/201429758.db2.gz IUGMNIPFCRTWOK-OVMKCGGTSA-N 0 0 336.485 5.710 50 30 EKEARN C[C@@H]1CCc2c(C#N)c(/N=C/c3cc4ccccc4s3)sc2C1 ZINC000000074243 563974462 /nfs/dbraw/zinc/97/44/62/563974462.db2.gz IUGMNIPFCRTWOK-KIHMUJGBSA-N 0 0 336.485 5.710 50 30 EKEARN COc1nc(-c2cccs2)cc(-c2ccc(C(C)C)cc2)c1C#N ZINC000000075253 209403583 /nfs/dbraw/zinc/40/35/83/209403583.db2.gz YHHPUPWIRSXGAN-UHFFFAOYSA-N 0 0 334.444 5.481 50 30 EKEARN CC(C)Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000000075761 564132796 /nfs/dbraw/zinc/13/27/96/564132796.db2.gz MYMMIRUXIGEWOZ-UHFFFAOYSA-N 0 0 328.384 5.201 50 30 EKEARN O=C(Nc1ccc(Cl)cc1)O/N=C/c1c(Cl)cccc1Cl ZINC000000076372 209403632 /nfs/dbraw/zinc/40/36/32/209403632.db2.gz ZROGUVZGRFWJQY-QGMBQPNBSA-N 0 0 343.597 5.229 50 30 EKEARN COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCC(C)C ZINC000000077323 541322156 /nfs/dbraw/zinc/32/21/56/541322156.db2.gz YVYWYZWBJZDXLJ-ODLFYWEKSA-N 0 0 340.444 5.060 50 30 EKEARN Brc1ccc(-c2ccc(/C=N/c3ccccc3)o2)cc1 ZINC000000078457 563974524 /nfs/dbraw/zinc/97/45/24/563974524.db2.gz OMWUKKSNKCLPKM-XDHOZWIPSA-N 0 0 326.193 5.460 50 30 EKEARN O=C1c2ccccc2S/C1=C\c1ccc(-c2ccc(F)cc2F)o1 ZINC000000080041 209405332 /nfs/dbraw/zinc/40/53/32/209405332.db2.gz FXNZBXAKIUUDOL-ZDLGFXPLSA-N 0 0 340.350 5.554 50 30 EKEARN C=C(C)COc1ccc2oc(-c3ccccc3)c(C(=O)OCC)c2c1 ZINC000000083670 563974861 /nfs/dbraw/zinc/97/48/61/563974861.db2.gz JCKWRKPCQFTKKR-UHFFFAOYSA-N 0 0 336.387 5.231 50 30 EKEARN Cc1c(Cl)cccc1-c1ccc(C=C2C(=O)c3ccccc3C2=O)o1 ZINC000000084378 563219739 /nfs/dbraw/zinc/21/97/39/563219739.db2.gz AGTFRBZQJUXAKT-UHFFFAOYSA-N 0 0 348.785 5.371 50 30 EKEARN Cc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 ZINC000000084847 563219742 /nfs/dbraw/zinc/21/97/42/563219742.db2.gz MSMRWKLLGZWIJS-QHCPKHFHSA-N 0 0 340.426 5.217 50 30 EKEARN Cc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 ZINC000000084852 563219736 /nfs/dbraw/zinc/21/97/36/563219736.db2.gz MSMRWKLLGZWIJS-HSZRJFAPSA-N 0 0 340.426 5.217 50 30 EKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 ZINC000000084971 258047192 /nfs/dbraw/zinc/04/71/92/258047192.db2.gz HOGHLRUTFBQDFP-OEAKJJBVSA-N 0 0 349.817 5.618 50 30 EKEARN C=C(C)COc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 ZINC000000086274 564074471 /nfs/dbraw/zinc/07/44/71/564074471.db2.gz PLAYKUWVDUZLED-UHFFFAOYSA-N 0 0 349.411 5.025 50 30 EKEARN Cc1nc(SCc2ccccc2Cl)c(C#N)c2c1CCCC2 ZINC000000086780 209411582 /nfs/dbraw/zinc/41/15/82/209411582.db2.gz TWKXZPDTNHMMNV-UHFFFAOYSA-N 0 0 328.868 5.086 50 30 EKEARN CCOc1ccc(/N=C/c2c3c(ccc2O)oc2c3CCCC2)cc1 ZINC000000090256 563976504 /nfs/dbraw/zinc/97/65/04/563976504.db2.gz QQZXIRINGJAGQK-LPYMAVHISA-N 0 0 335.403 5.167 50 30 EKEARN COc1ccc(C(=NCc2ccc(C)cc2)c2ccc(OC)cc2)cc1 ZINC000000090476 563976544 /nfs/dbraw/zinc/97/65/44/563976544.db2.gz LNUXWCWSRSCIEX-UHFFFAOYSA-N 0 0 345.442 5.050 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccco1 ZINC000000091197 258047234 /nfs/dbraw/zinc/04/72/34/258047234.db2.gz HAMXCUKRWMKKRS-JOCHJYFZSA-N 0 0 343.426 5.742 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccco1 ZINC000000091202 563976552 /nfs/dbraw/zinc/97/65/52/563976552.db2.gz HAMXCUKRWMKKRS-QFIPXVFZSA-N 0 0 343.426 5.742 50 30 EKEARN CC(C)c1cc(NC2CCCCC2)n2c3ccccc3nc2c1C#N ZINC000000091863 564132811 /nfs/dbraw/zinc/13/28/11/564132811.db2.gz ULVPFHBRNOJSBA-UHFFFAOYSA-N 0 0 332.451 5.227 50 30 EKEARN Cc1c(C#N)c2nc3ccccc3n2c(NCC(C)C)c1CCC(C)C ZINC000000091888 209415443 /nfs/dbraw/zinc/41/54/43/209415443.db2.gz VYGBTRFLVQEBBX-UHFFFAOYSA-N 0 0 348.494 5.324 50 30 EKEARN Cc1ccc2c(ccc3c2[C@@H](c2ccccc2)C2=C(CCCC2=O)N3)n1 ZINC000000092592 209415587 /nfs/dbraw/zinc/41/55/87/209415587.db2.gz ZZILWXKGEPUKFA-OAQYLSRUSA-N 0 0 340.426 5.108 50 30 EKEARN Cc1ccc2c(ccc3c2[C@H](c2ccccc2)C2=C(CCCC2=O)N3)n1 ZINC000000092598 563976588 /nfs/dbraw/zinc/97/65/88/563976588.db2.gz ZZILWXKGEPUKFA-NRFANRHFSA-N 0 0 340.426 5.108 50 30 EKEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccc(Cl)c2C)c1 ZINC000000095081 563977874 /nfs/dbraw/zinc/97/78/74/563977874.db2.gz OAHBQZUEWNDNBR-UHFFFAOYSA-N 0 0 342.870 5.738 50 30 EKEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(OCC)cc2)c1 ZINC000000095092 564074480 /nfs/dbraw/zinc/07/44/80/564074480.db2.gz OHAZWQSSNFZBEW-UHFFFAOYSA-N 0 0 338.451 5.175 50 30 EKEARN CCn1c2ccccc2c2cc(/C=N/c3cccc([N+](=O)[O-])c3)ccc21 ZINC000000095501 563223875 /nfs/dbraw/zinc/22/38/75/563223875.db2.gz XAQPWSQHWFYSOD-HYARGMPZSA-N 0 0 343.386 5.473 50 30 EKEARN Cc1ccsc1/C=N/c1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000000096034 563224298 /nfs/dbraw/zinc/22/42/98/563224298.db2.gz MJSKROBXLRJGLF-CIAFOILYSA-N 0 0 348.496 6.392 50 30 EKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(C)cc3O)ccc21 ZINC000000096058 563224251 /nfs/dbraw/zinc/22/42/51/563224251.db2.gz LGWKLQKBJPMCFL-OEAKJJBVSA-N 0 0 328.415 5.579 50 30 EKEARN N#Cc1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCC2 ZINC000000096098 209417310 /nfs/dbraw/zinc/41/73/10/209417310.db2.gz CIBGXWTUCHVGKQ-UHFFFAOYSA-N 0 0 344.439 5.028 50 30 EKEARN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\OC(=O)c1ccc(Cl)cc1Cl)C2 ZINC000000096370 563224235 /nfs/dbraw/zinc/22/42/35/563224235.db2.gz REBJMFRQDKSDHF-VSMWYSFMSA-N 0 0 340.250 5.352 50 30 EKEARN Cc1ccc(N2Cc3ccccc3Oc3cc(C#N)c(C#N)cc32)cc1 ZINC000000099540 201434597 /nfs/dbraw/zinc/43/45/97/201434597.db2.gz CHSKUJWKIVVNLY-UHFFFAOYSA-N 0 0 337.382 5.182 50 30 EKEARN Oc1ccc(Br)cc1/C=N/c1cccc(Cl)c1Cl ZINC000000100384 563225641 /nfs/dbraw/zinc/22/56/41/563225641.db2.gz PMHJKTGIWGSOBS-REZTVBANSA-N 0 0 345.023 5.212 50 30 EKEARN Oc1ccc(Br)cc1/C=N/c1cc(Cl)ccc1Cl ZINC000000100398 563225646 /nfs/dbraw/zinc/22/56/46/563225646.db2.gz CTFVPEDWUAQYLY-REZTVBANSA-N 0 0 345.023 5.212 50 30 EKEARN Oc1ccc(Br)cc1/C=N/c1ccc(Cl)c(Cl)c1 ZINC000000100422 563225575 /nfs/dbraw/zinc/22/55/75/563225575.db2.gz QLEALEXAWIYIOB-REZTVBANSA-N 0 0 345.023 5.212 50 30 EKEARN Oc1ccc(Br)cc1/C=N/c1cc(Cl)cc(Cl)c1 ZINC000000100468 563225689 /nfs/dbraw/zinc/22/56/89/563225689.db2.gz UHGJKERLQDVILY-REZTVBANSA-N 0 0 345.023 5.212 50 30 EKEARN Cc1ccsc1[C@@H]1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 ZINC000000101314 563225954 /nfs/dbraw/zinc/22/59/54/563225954.db2.gz QQMVXUYSDBXPIN-HXUWFJFHSA-N 0 0 346.455 5.278 50 30 EKEARN Cc1ccsc1[C@H]1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 ZINC000000101319 563225895 /nfs/dbraw/zinc/22/58/95/563225895.db2.gz QQMVXUYSDBXPIN-FQEVSTJZSA-N 0 0 346.455 5.278 50 30 EKEARN N#C[C@@H](Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000000102312 563226244 /nfs/dbraw/zinc/22/62/44/563226244.db2.gz URODBIOXQDKVQS-CQSZACIVSA-N 0 0 344.258 5.401 50 30 EKEARN N#C[C@H](Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000000102314 209421564 /nfs/dbraw/zinc/42/15/64/209421564.db2.gz URODBIOXQDKVQS-AWEZNQCLSA-N 0 0 344.258 5.401 50 30 EKEARN Cc1ccc2c(c1)N[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000103695 563226513 /nfs/dbraw/zinc/22/65/13/563226513.db2.gz SIWSZYZPXNQGAW-NRFANRHFSA-N 0 0 332.447 5.217 50 30 EKEARN Cc1ccc2c(c1)N[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000103702 563226605 /nfs/dbraw/zinc/22/66/05/563226605.db2.gz SIWSZYZPXNQGAW-OAQYLSRUSA-N 0 0 332.447 5.217 50 30 EKEARN COc1ccc2c(c1)CC/C(=C/c1ccc(Cl)cc1Cl)C2=O ZINC000000104792 563973845 /nfs/dbraw/zinc/97/38/45/563973845.db2.gz XKAFOAJDVIJIIV-JYRVWZFOSA-N 0 0 333.214 5.215 50 30 EKEARN O=C1C2=C(c3ccccc3)c3cc(F)ccc3[C@H]2Sc2ccccc21 ZINC000000105068 209422501 /nfs/dbraw/zinc/42/25/01/209422501.db2.gz OATQWQFKVZSEKW-JOCHJYFZSA-N 0 0 344.410 5.671 50 30 EKEARN O=C1C2=C(c3ccccc3)c3cc(F)ccc3[C@@H]2Sc2ccccc21 ZINC000000105071 201434883 /nfs/dbraw/zinc/43/48/83/201434883.db2.gz OATQWQFKVZSEKW-QFIPXVFZSA-N 0 0 344.410 5.671 50 30 EKEARN O=C1CCCC2=C1[C@H](c1c(F)cccc1Cl)Nc1ccccc1N2 ZINC000000107472 563228646 /nfs/dbraw/zinc/22/86/46/563228646.db2.gz PMDRTXTYRZCSDQ-IBGZPJMESA-N 0 0 342.801 5.065 50 30 EKEARN O=C1CCCC2=C1[C@@H](c1c(F)cccc1Cl)Nc1ccccc1N2 ZINC000000107475 563228567 /nfs/dbraw/zinc/22/85/67/563228567.db2.gz PMDRTXTYRZCSDQ-LJQANCHMSA-N 0 0 342.801 5.065 50 30 EKEARN COC(=O)c1sccc1-c1ccc(/C=N/c2ccc(Cl)cc2)o1 ZINC000000107998 209425251 /nfs/dbraw/zinc/42/52/51/209425251.db2.gz INSMAFQUZDGSGD-VXLYETTFSA-N 0 0 345.807 5.199 50 30 EKEARN Cc1c2ccccc2n2c1C(=O)/C(=C/c1ccc(Cl)cc1Cl)C2 ZINC000000108287 209424861 /nfs/dbraw/zinc/42/48/61/209424861.db2.gz LWSOJYLSIPCSOY-MDWZMJQESA-N 0 0 342.225 5.536 50 30 EKEARN Cc1c2ccccc2n2c1C(=O)/C(=C/c1ccc(C(F)(F)F)cc1)C2 ZINC000000108291 563229051 /nfs/dbraw/zinc/22/90/51/563229051.db2.gz ZJXZLXRWPPRCQP-GXDHUFHOSA-N 0 0 341.332 5.248 50 30 EKEARN COc1ccc(/N=C/C2=C(Cl)c3cc(Cl)ccc3OC2)cc1 ZINC000000108480 563229089 /nfs/dbraw/zinc/22/90/89/563229089.db2.gz KGTCZINXXSJOOC-AWQFTUOYSA-N 0 0 334.202 5.093 50 30 EKEARN O=C1c2cc(Cl)ccc2OC/C1=C\c1ccc(Cl)cc1Cl ZINC000000108799 201436413 /nfs/dbraw/zinc/43/64/13/201436413.db2.gz YANXGOFLJBTFGG-BJMVGYQFSA-N 0 0 339.605 5.306 50 30 EKEARN C=CCn1c2ccccc2nc1COc1ccc(Cl)cc1Cl ZINC000000109313 564074501 /nfs/dbraw/zinc/07/45/01/564074501.db2.gz USKQIULLQLLPMA-UHFFFAOYSA-N 0 0 333.218 5.108 50 30 EKEARN CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000109537 563986561 /nfs/dbraw/zinc/98/65/61/563986561.db2.gz NGBRDJLJZLPXEH-QFIPXVFZSA-N 0 0 346.474 5.471 50 30 EKEARN CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000109543 209426141 /nfs/dbraw/zinc/42/61/41/209426141.db2.gz NGBRDJLJZLPXEH-JOCHJYFZSA-N 0 0 346.474 5.471 50 30 EKEARN N#Cc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000000111385 564132831 /nfs/dbraw/zinc/13/28/31/564132831.db2.gz LSDKZBOBPBBOIA-UHFFFAOYSA-N 0 0 331.215 5.388 50 30 EKEARN Cc1cc(-c2ccccc2)c(C#N)c(SCCc2ccccc2)n1 ZINC000000111615 564132839 /nfs/dbraw/zinc/13/28/39/564132839.db2.gz RZTBZPFGUVPUOV-UHFFFAOYSA-N 0 0 330.456 5.264 50 30 EKEARN N#Cc1ccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000000113866 209429013 /nfs/dbraw/zinc/42/90/13/209429013.db2.gz MTNFZQWRXSZSKO-UHFFFAOYSA-N 0 0 330.334 5.368 50 30 EKEARN CC(C)(C)c1cc(-c2csc(CC#N)n2)cc(C(C)(C)C)c1O ZINC000000113895 209429671 /nfs/dbraw/zinc/42/96/71/209429671.db2.gz YMRFJPUFPLPTGG-UHFFFAOYSA-N 0 0 328.481 5.177 50 30 EKEARN C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000000114202 564074498 /nfs/dbraw/zinc/07/44/98/564074498.db2.gz NORHFSCGXHDJDG-UHFFFAOYSA-N 0 0 347.245 5.498 50 30 EKEARN O=C1/C(=C\c2c[nH]c3ccccc23)CC/C1=C/c1c[nH]c2ccccc12 ZINC000000114719 563986701 /nfs/dbraw/zinc/98/67/01/563986701.db2.gz XWKQDPZDSGUBDK-NFLUSIDLSA-N 0 0 338.410 5.479 50 30 EKEARN C=C(C)Cn1c(COc2cc(C)ccc2C(C)C)nc2ccccc21 ZINC000000118435 258017497 /nfs/dbraw/zinc/01/74/97/258017497.db2.gz QPCBLTHMISNXPP-UHFFFAOYSA-N 0 0 334.463 5.623 50 30 EKEARN Cc1c(C#N)sc2nc(-c3ccc(Cl)cc3Cl)nc(C)c12 ZINC000000124215 564013341 /nfs/dbraw/zinc/01/33/41/564013341.db2.gz XPJSYZVMSZAZII-UHFFFAOYSA-N 0 0 334.231 5.154 50 30 EKEARN Cc1nc2ccc(/N=C/c3ccc(Br)cc3)cc2s1 ZINC000000124514 209436948 /nfs/dbraw/zinc/43/69/48/209436948.db2.gz CUOKKZMBZDKUOG-RQZCQDPDSA-N 0 0 331.238 5.118 50 30 EKEARN N#Cc1c(-c2ccc(Cl)cc2)csc1[S@@](=O)C1CCCCC1 ZINC000000125082 564013323 /nfs/dbraw/zinc/01/33/23/564013323.db2.gz FFIREXREGJCEOO-JOCHJYFZSA-N 0 0 349.908 5.380 50 30 EKEARN CC1(C)CC(=O)C=C(SCc2c(Cl)cccc2Cl)S1 ZINC000000126040 563236571 /nfs/dbraw/zinc/23/65/71/563236571.db2.gz QOLQAFNTNCNZCP-UHFFFAOYSA-N 0 0 333.305 5.553 50 30 EKEARN Cc1cc(Nc2ccccc2Cl)n2c3ccccc3nc2c1C#N ZINC000000126357 209437451 /nfs/dbraw/zinc/43/74/51/209437451.db2.gz PKTJCDOVZFHCHB-UHFFFAOYSA-N 0 0 332.794 5.065 50 30 EKEARN Cc1c(C#N)c(Sc2cccc(C(F)(F)F)c2)nc2ccccc12 ZINC000000127895 564013337 /nfs/dbraw/zinc/01/33/37/564013337.db2.gz QNBVBJNRLBWZSE-UHFFFAOYSA-N 0 0 344.361 5.585 50 30 EKEARN Cc1c(C#N)c(SCc2c(F)cccc2Cl)nc2ccccc12 ZINC000000127902 564132843 /nfs/dbraw/zinc/13/28/43/564132843.db2.gz IDZCMQLEBHDCQC-UHFFFAOYSA-N 0 0 342.826 5.500 50 30 EKEARN Cc1cc(-c2ccccc2)c(C#N)c(SCc2ccc(F)cc2)n1 ZINC000000131052 209439296 /nfs/dbraw/zinc/43/92/96/209439296.db2.gz TYWFWWNOCKBYAE-UHFFFAOYSA-N 0 0 334.419 5.360 50 30 EKEARN CCOC(=O)c1ccc(/N=C/c2c(OCC)ccc3ccccc32)cc1 ZINC000000131335 209440068 /nfs/dbraw/zinc/44/00/68/209440068.db2.gz CPOPNSPXEXENIA-HZHRSRAPSA-N 0 0 347.414 5.166 50 30 EKEARN O=C(ON=C(c1cccs1)c1cccs1)c1ccc(Cl)cc1 ZINC000000133340 258047717 /nfs/dbraw/zinc/04/77/17/258047717.db2.gz SUYWYDOQEAZDBL-UHFFFAOYSA-N 0 0 347.848 5.072 50 30 EKEARN COc1ccc(C(=O)/C=C/Sc2cc(Cl)ccc2Cl)cc1 ZINC000000133709 258047686 /nfs/dbraw/zinc/04/76/86/258047686.db2.gz BCCHKSOMNHCNSK-CMDGGOBGSA-N 0 0 339.243 5.491 50 30 EKEARN O=C(/C=C/Sc1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000000133715 563239894 /nfs/dbraw/zinc/23/98/94/563239894.db2.gz JLUHMNYLTKDBQT-BQYQJAHWSA-N 0 0 327.207 5.621 50 30 EKEARN COc1ccc(C(=O)/C=C/Sc2c(Cl)cccc2Cl)cc1 ZINC000000133774 209441595 /nfs/dbraw/zinc/44/15/95/209441595.db2.gz QKELCRLQOPDCSU-MDZDMXLPSA-N 0 0 339.243 5.491 50 30 EKEARN Cc1ccc2[nH]c(SC=CC(=O)c3ccc(Cl)cc3)nc2c1 ZINC000000133780 563239861 /nfs/dbraw/zinc/23/98/61/563239861.db2.gz WYYBOASCNFGYNP-CMDGGOBGSA-N 0 0 328.824 5.013 50 30 EKEARN Cc1ccc(C(=O)/C=C/Sc2ccc(Br)cc2)cc1 ZINC000000134186 563239889 /nfs/dbraw/zinc/23/98/89/563239889.db2.gz RTQOZDHMZZKUSE-ZHACJKMWSA-N 0 0 333.250 5.246 50 30 EKEARN O=C(/C=C/Sc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000000134199 563239796 /nfs/dbraw/zinc/23/97/96/563239796.db2.gz LENDLYABEQECQD-MDZDMXLPSA-N 0 0 331.849 5.438 50 30 EKEARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C/c1ccccc1Cl ZINC000000135095 563240104 /nfs/dbraw/zinc/24/01/04/563240104.db2.gz WIBPUZAXVOPNDF-RRXSNJIPSA-N 0 0 346.813 5.740 50 30 EKEARN O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C/c1ccccc1Cl ZINC000000135101 563240057 /nfs/dbraw/zinc/24/00/57/563240057.db2.gz WIBPUZAXVOPNDF-OVWUPXBPSA-N 0 0 346.813 5.740 50 30 EKEARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C/c1cccc(Cl)c1 ZINC000000135107 563240045 /nfs/dbraw/zinc/24/00/45/563240045.db2.gz IPLMXVCATPYONM-SLTDHEAWSA-N 0 0 346.813 5.740 50 30 EKEARN O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C/c1cccc(Cl)c1 ZINC000000135113 563240112 /nfs/dbraw/zinc/24/01/12/563240112.db2.gz IPLMXVCATPYONM-PGPKDTDWSA-N 0 0 346.813 5.740 50 30 EKEARN COc1ccccc1/C=C1\C(=O)c2ccccc2O[C@@H]1c1ccccc1 ZINC000000135138 201439041 /nfs/dbraw/zinc/43/90/41/201439041.db2.gz UHVCPSYLNUUCIQ-QYAIIROKSA-N 0 0 342.394 5.095 50 30 EKEARN COc1ccc(/C=C2/C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1 ZINC000000135144 563987020 /nfs/dbraw/zinc/98/70/20/563987020.db2.gz LBUIGFCPSGJSAD-HVQRGMKJSA-N 0 0 342.394 5.095 50 30 EKEARN COc1ccc(/C=C2/C(=O)c3ccccc3O[C@H]2c2ccccc2)cc1 ZINC000000135152 209443855 /nfs/dbraw/zinc/44/38/55/209443855.db2.gz LBUIGFCPSGJSAD-WNPPMXKSSA-N 0 0 342.394 5.095 50 30 EKEARN Cc1ccc(C)c(Nc2cc(C)c(C#N)c3nc4ccccc4n32)c1 ZINC000000135241 564132882 /nfs/dbraw/zinc/13/28/82/564132882.db2.gz PKNHMWLHEFCNJB-UHFFFAOYSA-N 0 0 326.403 5.028 50 30 EKEARN N#Cc1c(NC(=O)CCC2CCCC2)sc2c1CCCCCC2 ZINC000000135614 201439158 /nfs/dbraw/zinc/43/91/58/201439158.db2.gz NFPJNLCOWMNSKN-UHFFFAOYSA-N 0 0 330.497 5.188 50 30 EKEARN CCOC(=O)c1cccc2cccc(Sc3ccccc3C#N)c21 ZINC000000136166 209443136 /nfs/dbraw/zinc/44/31/36/209443136.db2.gz JIXFJSNIVLMKQA-UHFFFAOYSA-N 0 0 333.412 5.039 50 30 EKEARN CCN(CC)c1ccc(/C=N/c2cc(Cl)cc(Cl)c2)c(O)c1 ZINC000000136703 563240772 /nfs/dbraw/zinc/24/07/72/563240772.db2.gz PJVTUIAGJDHTGW-RGVLZGJSSA-N 0 0 337.250 5.296 50 30 EKEARN CCN(CC)c1ccc(/N=C/c2ccc(OC)c3ccccc23)cc1 ZINC000000136708 563240731 /nfs/dbraw/zinc/24/07/31/563240731.db2.gz FERWFNBNPUBDJL-XQNSMLJCSA-N 0 0 332.447 5.445 50 30 EKEARN Clc1cccc(Cl)c1CO/N=C1\CSCc2ccccc21 ZINC000000138469 258047770 /nfs/dbraw/zinc/04/77/70/258047770.db2.gz AUQNIOFDESRTDT-KNTRCKAVSA-N 0 0 338.259 5.161 50 30 EKEARN Oc1ccccc1/C=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000138667 564118796 /nfs/dbraw/zinc/11/87/96/564118796.db2.gz MQODJDYFSNBBDJ-GZIVZEMBSA-N 0 0 333.231 5.180 50 30 EKEARN COc1ccc(Oc2cccc(Oc3ccc(OC)cc3)c2C#N)cc1 ZINC000000139716 209444965 /nfs/dbraw/zinc/44/49/65/209444965.db2.gz MFLGUHVLLPICGG-UHFFFAOYSA-N 0 0 347.370 5.160 50 30 EKEARN N#Cc1c(Oc2ccccc2)ccc([N+](=O)[O-])c1Oc1ccccc1 ZINC000000139931 564132889 /nfs/dbraw/zinc/13/28/89/564132889.db2.gz CFUJONGPUQQYNM-UHFFFAOYSA-N 0 0 332.315 5.051 50 30 EKEARN Cc1ccc2c(ccc3c2[C@@H]([C@@H]2CC=CCC2)C2=C(CCCC2=O)N3)n1 ZINC000000140591 563996178 /nfs/dbraw/zinc/99/61/78/563996178.db2.gz SCKBSNSAYTXWKL-QVKFZJNVSA-N 0 0 344.458 5.416 50 30 EKEARN Cc1ccc2c(ccc3c2[C@H]([C@@H]2CC=CCC2)C2=C(CCCC2=O)N3)n1 ZINC000000140597 563987091 /nfs/dbraw/zinc/98/70/91/563987091.db2.gz SCKBSNSAYTXWKL-VFNWGFHPSA-N 0 0 344.458 5.416 50 30 EKEARN Cc1ccc2c(ccc3c2[C@@H]([C@H]2CC=CCC2)C2=C(CCCC2=O)N3)n1 ZINC000000140601 209446084 /nfs/dbraw/zinc/44/60/84/209446084.db2.gz SCKBSNSAYTXWKL-YCRPNKLZSA-N 0 0 344.458 5.416 50 30 EKEARN N#Cc1c(-c2cccs2)oc(N)c1-c1ccc(Cl)cc1Cl ZINC000000140964 201440398 /nfs/dbraw/zinc/44/03/98/201440398.db2.gz DFOOCCVGUBPNKF-UHFFFAOYSA-N 0 0 335.215 5.436 50 30 EKEARN N#Cc1c(-c2cccs2)oc(-n2cccc2)c1-c1ccc(C#N)cc1 ZINC000000140994 209446198 /nfs/dbraw/zinc/44/61/98/209446198.db2.gz QTRMJDGFQWQHEN-UHFFFAOYSA-N 0 0 341.395 5.209 50 30 EKEARN Cc1cccc(CSc2nc3c(c(C(F)(F)F)c2C#N)CCC3)c1 ZINC000000141992 563987150 /nfs/dbraw/zinc/98/71/50/563987150.db2.gz NQXSVHKKIWLUTN-UHFFFAOYSA-N 0 0 348.393 5.062 50 30 EKEARN N#CC(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000000142024 563242614 /nfs/dbraw/zinc/24/26/14/563242614.db2.gz GETPXPYMHHATPO-UHFFFAOYSA-N 0 0 329.243 5.380 50 30 EKEARN O=C1C=C(SCc2c(F)cccc2Cl)C[C@H](c2ccccc2)C1 ZINC000000142725 563242885 /nfs/dbraw/zinc/24/28/85/563242885.db2.gz OAEOHIOZXWXIPO-CQSZACIVSA-N 0 0 346.854 5.743 50 30 EKEARN O=C1C=C(SCc2c(F)cccc2Cl)C[C@@H](c2ccccc2)C1 ZINC000000142729 209448107 /nfs/dbraw/zinc/44/81/07/209448107.db2.gz OAEOHIOZXWXIPO-AWEZNQCLSA-N 0 0 346.854 5.743 50 30 EKEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(C)ccc2OC)c1 ZINC000000145343 209448716 /nfs/dbraw/zinc/44/87/16/209448716.db2.gz SFOROUDOGODPBP-UHFFFAOYSA-N 0 0 338.451 5.094 50 30 EKEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)cc2C)c1 ZINC000000145356 563987212 /nfs/dbraw/zinc/98/72/12/563987212.db2.gz KRFNLNFVDJXMIA-UHFFFAOYSA-N 0 0 342.870 5.738 50 30 EKEARN FC(F)(F)c1cc(Br)ccc1/N=C/c1ccccc1 ZINC000000150485 201441111 /nfs/dbraw/zinc/44/11/11/201441111.db2.gz PPAKLDGNVIEJCO-DJKKODMXSA-N 0 0 328.131 5.219 50 30 EKEARN Cc1ccc([C@@H](C#N)c2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 ZINC000000153417 563247075 /nfs/dbraw/zinc/24/70/75/563247075.db2.gz GUKLNCCRZXVGHO-OAQYLSRUSA-N 0 0 329.374 5.021 50 30 EKEARN Cc1ccc([C@H](C#N)c2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 ZINC000000153418 209455725 /nfs/dbraw/zinc/45/57/25/209455725.db2.gz GUKLNCCRZXVGHO-NRFANRHFSA-N 0 0 329.374 5.021 50 30 EKEARN N#Cc1c(N)n(Cc2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000000153424 564132933 /nfs/dbraw/zinc/13/29/33/564132933.db2.gz GXIMOGHICAZEKA-UHFFFAOYSA-N 0 0 349.437 5.324 50 30 EKEARN CC(C)(C)c1cc(C2CCCCC2)cc(/N=C/c2cccnc2)c1O ZINC000000155475 563247818 /nfs/dbraw/zinc/24/78/18/563247818.db2.gz MVOUEJLKSQERCT-BUVRLJJBSA-N 0 0 336.479 5.883 50 30 EKEARN Cc1ccc(NC=CC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000000157502 563248159 /nfs/dbraw/zinc/24/81/59/563248159.db2.gz AZKYGKMSGZARHP-SREVYHEPSA-N 0 0 340.637 5.764 50 30 EKEARN CCOc1ccc2nc(S/C=C/C(=O)c3ccccc3)sc2c1 ZINC000000161328 258047810 /nfs/dbraw/zinc/04/78/10/258047810.db2.gz OXWUIFLMOKJWIL-ZHACJKMWSA-N 0 0 341.457 5.184 50 30 EKEARN N#Cc1c(Cl)nsc1-c1ccc(CSc2ccccn2)cc1 ZINC000000161508 563987485 /nfs/dbraw/zinc/98/74/85/563987485.db2.gz LOFGYEOBNOLJEU-UHFFFAOYSA-N 0 0 343.864 5.022 50 30 EKEARN FC(F)(F)Oc1ccccc1/C=N/c1cccc(C(F)(F)F)c1 ZINC000000165232 563987495 /nfs/dbraw/zinc/98/74/95/563987495.db2.gz OOXDXZKIQKXLDX-LSFURLLWSA-N 0 0 333.231 5.355 50 30 EKEARN N#C[C@H](c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000000168574 563249908 /nfs/dbraw/zinc/24/99/08/563249908.db2.gz CSEYHSQJQFNHOT-LLVKDONJSA-N 0 0 331.124 5.063 50 30 EKEARN N#C[C@@H](c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000000168576 563249928 /nfs/dbraw/zinc/24/99/28/563249928.db2.gz CSEYHSQJQFNHOT-NSHDSACASA-N 0 0 331.124 5.063 50 30 EKEARN N#C[C@@H](c1ccc(Cl)cc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000000169683 563250607 /nfs/dbraw/zinc/25/06/07/563250607.db2.gz BNPWQBAHYCCRAR-HXUWFJFHSA-N 0 0 331.802 5.226 50 30 EKEARN N#C[C@H](c1ccc(Cl)cc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000000169684 201442725 /nfs/dbraw/zinc/44/27/25/201442725.db2.gz BNPWQBAHYCCRAR-FQEVSTJZSA-N 0 0 331.802 5.226 50 30 EKEARN N#C[C@@H](c1ccc(Cl)cc1)c1ccc([C@@H](O)c2ccccc2)cc1 ZINC000000169687 563250612 /nfs/dbraw/zinc/25/06/12/563250612.db2.gz MJQIWMRCXBWRRQ-RTWAWAEBSA-N 0 0 333.818 5.077 50 30 EKEARN N#C[C@@H](c1ccc(Cl)cc1)c1ccc([C@H](O)c2ccccc2)cc1 ZINC000000169689 209462078 /nfs/dbraw/zinc/46/20/78/209462078.db2.gz MJQIWMRCXBWRRQ-NHCUHLMSSA-N 0 0 333.818 5.077 50 30 EKEARN N#C[C@H](c1ccc(Cl)cc1)c1ccc([C@@H](O)c2ccccc2)cc1 ZINC000000169693 563250616 /nfs/dbraw/zinc/25/06/16/563250616.db2.gz MJQIWMRCXBWRRQ-SFTDATJTSA-N 0 0 333.818 5.077 50 30 EKEARN N#C[C@H](c1ccc(Cl)cc1)c1ccc([C@H](O)c2ccccc2)cc1 ZINC000000169694 563250611 /nfs/dbraw/zinc/25/06/11/563250611.db2.gz MJQIWMRCXBWRRQ-LEWJYISDSA-N 0 0 333.818 5.077 50 30 EKEARN N#Cc1ccc(OCc2c(Cl)sc3ccc(Cl)cc32)cc1 ZINC000000172247 564132971 /nfs/dbraw/zinc/13/29/71/564132971.db2.gz WSFREZLNBDRGLC-UHFFFAOYSA-N 0 0 334.227 5.659 50 30 EKEARN Clc1ccc(CSc2ccccc2/N=C/c2cccs2)cc1 ZINC000000173000 526951940 /nfs/dbraw/zinc/95/19/40/526951940.db2.gz HBWGYACPEALPFU-UDWIEESQSA-N 0 0 343.904 6.444 50 30 EKEARN O=C(/C=C/Sc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000000173999 201444320 /nfs/dbraw/zinc/44/43/20/201444320.db2.gz YWDKNAHKICNOQR-CMDGGOBGSA-N 0 0 343.662 6.136 50 30 EKEARN O=C(/C=C/Sc1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000000174007 563252292 /nfs/dbraw/zinc/25/22/92/563252292.db2.gz RRHDGNNPWDFOLV-CMDGGOBGSA-N 0 0 327.207 5.621 50 30 EKEARN Cc1sc(NC(=O)c2sc3ccccc3c2Cl)c(C#N)c1C ZINC000000176147 564132969 /nfs/dbraw/zinc/13/29/69/564132969.db2.gz XTTWWXMXVMPMHF-UHFFFAOYSA-N 0 0 346.864 5.357 50 30 EKEARN C(=N/Cc1ccccc1)\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000000176787 518376618 /nfs/dbraw/zinc/37/66/18/518376618.db2.gz XSZFGZMXKLQXND-PXLXIMEGSA-N 0 0 343.455 5.220 50 30 EKEARN Cc1ccsc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 ZINC000000178987 563253689 /nfs/dbraw/zinc/25/36/89/563253689.db2.gz GXPZIGAGBJAOMX-OAQYLSRUSA-N 0 0 345.467 5.883 50 30 EKEARN Cc1ccsc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 ZINC000000178988 209467211 /nfs/dbraw/zinc/46/72/11/209467211.db2.gz GXPZIGAGBJAOMX-NRFANRHFSA-N 0 0 345.467 5.883 50 30 EKEARN CN(C)c1ccc(/C=C2/Sc3ccc4ccccc4c3C2=O)cc1 ZINC000000179363 563987773 /nfs/dbraw/zinc/98/77/73/563987773.db2.gz UCYPLEUCHTVCNV-CPNJWEJPSA-N 0 0 331.440 5.235 50 30 EKEARN Cc1ccsc1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000000179865 563987731 /nfs/dbraw/zinc/98/77/31/563987731.db2.gz WOCGAFVZZPJWGL-GOSISDBHSA-N 0 0 338.476 5.278 50 30 EKEARN Cc1ccsc1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000000179866 563987743 /nfs/dbraw/zinc/98/77/43/563987743.db2.gz WOCGAFVZZPJWGL-SFHVURJKSA-N 0 0 338.476 5.278 50 30 EKEARN Cc1cc(Nc2cccc3ccccc32)n2c3ccccc3nc2c1C#N ZINC000000183142 564132967 /nfs/dbraw/zinc/13/29/67/564132967.db2.gz DZWOZMSHKADDKY-UHFFFAOYSA-N 0 0 348.409 5.564 50 30 EKEARN N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 ZINC000000186584 209472184 /nfs/dbraw/zinc/47/21/84/209472184.db2.gz BEVSNMFSBGQYJA-UHFFFAOYSA-N 0 0 348.789 5.256 50 30 EKEARN O=C1CCCC2=C1[C@@H](c1ccc(O)cc1)Nc1ccc3ccccc3c12 ZINC000000187343 563987977 /nfs/dbraw/zinc/98/79/77/563987977.db2.gz QRUWRZQNNKNUKR-HSZRJFAPSA-N 0 0 341.410 5.219 50 30 EKEARN O=C1CCCC2=C1[C@H](c1ccc(O)cc1)Nc1ccc3ccccc3c12 ZINC000000187344 563987999 /nfs/dbraw/zinc/98/79/99/563987999.db2.gz QRUWRZQNNKNUKR-QHCPKHFHSA-N 0 0 341.410 5.219 50 30 EKEARN COc1ccccc1-c1cc(-c2ccccc2)nc(SC)c1C#N ZINC000000187794 563987986 /nfs/dbraw/zinc/98/79/86/563987986.db2.gz NUFPAFRSBRZGTD-UHFFFAOYSA-N 0 0 332.428 5.018 50 30 EKEARN N#Cc1c(Cl)ncc2c1Nc1ccccc1[C@@H]2Sc1ccccc1 ZINC000000188795 201446448 /nfs/dbraw/zinc/44/64/48/201446448.db2.gz ZJMACDCIQQNDPC-SFHVURJKSA-N 0 0 349.846 5.545 50 30 EKEARN N#Cc1c(Cl)ncc2c1Nc1ccccc1[C@H]2Sc1ccccc1 ZINC000000188797 209473270 /nfs/dbraw/zinc/47/32/70/209473270.db2.gz ZJMACDCIQQNDPC-GOSISDBHSA-N 0 0 349.846 5.545 50 30 EKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H](C)c2cccs2)c1 ZINC000000192732 518646235 /nfs/dbraw/zinc/64/62/35/518646235.db2.gz LZDCRSXTJABRGG-AWEZNQCLSA-N 0 0 328.481 5.077 50 30 EKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H](C)c2cccs2)c1 ZINC000000192737 518647678 /nfs/dbraw/zinc/64/76/78/518647678.db2.gz LZDCRSXTJABRGG-CQSZACIVSA-N 0 0 328.481 5.077 50 30 EKEARN Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1ccccc1Cl ZINC000000193004 563256948 /nfs/dbraw/zinc/25/69/48/563256948.db2.gz QGRKOCPTAAETLA-RGVLZGJSSA-N 0 0 341.867 5.582 50 30 EKEARN Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1ccc(C(C)C)cc1 ZINC000000193008 563988185 /nfs/dbraw/zinc/98/81/85/563988185.db2.gz FLPINQCUKJAFGM-LPYMAVHISA-N 0 0 349.503 6.052 50 30 EKEARN C=CCc1c(C)nc(-c2ccccc2)nc1Nc1ccc(C(C)=O)cc1 ZINC000000198257 564074512 /nfs/dbraw/zinc/07/45/12/564074512.db2.gz COBJJVYDUWTSKH-UHFFFAOYSA-N 0 0 343.430 5.127 50 30 EKEARN O=C1c2cnc3ccc4ccccc4c3c2CC/C1=C\c1ccco1 ZINC000000202070 209481068 /nfs/dbraw/zinc/48/10/68/209481068.db2.gz YYPAFIZEPZIODQ-NTCAYCPXSA-N 0 0 325.367 5.194 50 30 EKEARN O=C1CCCC2=C1[C@H](c1ccc(O)cc1)c1c(ccc3ccccc31)N2 ZINC000000204267 563988420 /nfs/dbraw/zinc/98/84/20/563988420.db2.gz KHSPGRPNJIGVDT-OAQYLSRUSA-N 0 0 341.410 5.110 50 30 EKEARN O=C1CCCC2=C1[C@@H](c1ccc(O)cc1)c1c(ccc3ccccc31)N2 ZINC000000204269 563988401 /nfs/dbraw/zinc/98/84/01/563988401.db2.gz KHSPGRPNJIGVDT-NRFANRHFSA-N 0 0 341.410 5.110 50 30 EKEARN C=C(C)c1cccc(C(C)(C)NC(=O)NCc2ccc(Cl)cc2)c1 ZINC000000205627 518647459 /nfs/dbraw/zinc/64/74/59/518647459.db2.gz QSEFMQSOVAJPFV-UHFFFAOYSA-N 0 0 342.870 5.108 50 30 EKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCCc3ccccc32)c1 ZINC000000205637 563988503 /nfs/dbraw/zinc/98/85/03/563988503.db2.gz CILHAMIMWNNSIF-UHFFFAOYSA-N 0 0 334.463 5.117 50 30 EKEARN Cc1cc(Nc2cccc(Cl)c2)n2c3ccccc3nc2c1C#N ZINC000000206000 564133008 /nfs/dbraw/zinc/13/30/08/564133008.db2.gz JIEHRLHVTUUATG-UHFFFAOYSA-N 0 0 332.794 5.065 50 30 EKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccccc3)sc2C1 ZINC000000209983 563988457 /nfs/dbraw/zinc/98/84/57/563988457.db2.gz WQYFYKIQHJQKML-AWEZNQCLSA-N 0 0 338.476 5.023 50 30 EKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccccc3)sc2C1 ZINC000000209985 563988462 /nfs/dbraw/zinc/98/84/62/563988462.db2.gz WQYFYKIQHJQKML-CQSZACIVSA-N 0 0 338.476 5.023 50 30 EKEARN O=C1CCCC2=C1[C@H](c1ccccc1F)Nc1ccc3ncccc3c12 ZINC000000210040 201447944 /nfs/dbraw/zinc/44/79/44/201447944.db2.gz WOMCYPQMBBYWPQ-QFIPXVFZSA-N 0 0 344.389 5.047 50 30 EKEARN O=C1CCCC2=C1[C@@H](c1ccccc1F)Nc1ccc3ncccc3c12 ZINC000000210042 563260711 /nfs/dbraw/zinc/26/07/11/563260711.db2.gz WOMCYPQMBBYWPQ-JOCHJYFZSA-N 0 0 344.389 5.047 50 30 EKEARN CCOc1ccc(/C=C2\CC/C(=C/c3ccc(OCC)cc3)C2=O)cc1 ZINC000000214421 563988644 /nfs/dbraw/zinc/98/86/44/563988644.db2.gz UDQWEEICBYIJSL-VBGLAJCLSA-N 0 0 348.442 5.314 50 30 EKEARN CC(C)(C)c1cc2c(c(C(C)(C)C)c1)Oc1cc(C#N)c(C#N)cc1O2 ZINC000000216662 564133022 /nfs/dbraw/zinc/13/30/22/564133022.db2.gz HUUKSXMFDFYESE-UHFFFAOYSA-N 0 0 346.430 5.923 50 30 EKEARN Clc1cccc(-c2nc3cc(/N=C/c4ccccc4)ccc3o2)c1 ZINC000000217893 563262297 /nfs/dbraw/zinc/26/22/97/563262297.db2.gz LTVGHGKTHAYOMW-LPYMAVHISA-N 0 0 332.790 5.899 50 30 EKEARN Cc1ccc2oc(-c3ccc(/N=C/c4ccccc4O)cc3)nc2c1 ZINC000000218273 563262336 /nfs/dbraw/zinc/26/23/36/563262336.db2.gz UHSAMLZDTODRLR-LPYMAVHISA-N 0 0 328.371 5.259 50 30 EKEARN Cc1ccc2oc(-c3ccc(/N=C/c4ccccc4F)cc3)nc2c1 ZINC000000218277 201450828 /nfs/dbraw/zinc/45/08/28/201450828.db2.gz ZRAGUNFGJDVMOJ-YDZHTSKRSA-N 0 0 330.362 5.693 50 30 EKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccccc4Cl)ccc3o2)cc1 ZINC000000218749 563988761 /nfs/dbraw/zinc/98/87/61/563988761.db2.gz ZSGYRMDRFAZPKO-YDZHTSKRSA-N 0 0 346.817 6.207 50 30 EKEARN Cc1cc(Br)c(O)c(/C=N/c2ccc(Cl)cc2C)c1 ZINC000000218874 563262287 /nfs/dbraw/zinc/26/22/87/563262287.db2.gz OIUYDGKOGBUKRF-QGMBQPNBSA-N 0 0 338.632 5.176 50 30 EKEARN Cc1cc(Br)c(O)c(/C=N/c2ccc3ccccc3c2)c1 ZINC000000218915 563988776 /nfs/dbraw/zinc/98/87/76/563988776.db2.gz HWBXRQQDTKVHTR-RGVLZGJSSA-N 0 0 340.220 5.367 50 30 EKEARN Oc1ccccc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000000218920 563988773 /nfs/dbraw/zinc/98/87/73/563988773.db2.gz XPUUKCOMRGTODB-WSDLNYQXSA-N 0 0 348.789 5.604 50 30 EKEARN Cc1cccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)c1 ZINC000000219437 563262259 /nfs/dbraw/zinc/26/22/59/563262259.db2.gz UEFACVODSGQZJZ-LPYMAVHISA-N 0 0 328.371 5.259 50 30 EKEARN Cc1cccc(-c2nc3cc(/N=C/c4cc(C)ccc4O)ccc3o2)c1 ZINC000000219450 563262284 /nfs/dbraw/zinc/26/22/84/563262284.db2.gz IMVPWRMGDCZKCY-YDZHTSKRSA-N 0 0 342.398 5.568 50 30 EKEARN Oc1ccccc1/C=N/c1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000000220074 564125181 /nfs/dbraw/zinc/12/51/81/564125181.db2.gz ONACKYNMEITWAZ-WSDLNYQXSA-N 0 0 348.789 5.604 50 30 EKEARN COc1ccccc1/C=N/c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000000221852 201450887 /nfs/dbraw/zinc/45/08/87/201450887.db2.gz GSWBSJISGITKFL-RGVLZGJSSA-N 0 0 342.851 5.531 50 30 EKEARN COc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 ZINC000000221860 563988830 /nfs/dbraw/zinc/98/88/30/563988830.db2.gz YCATZSPYXHCBSC-RGVLZGJSSA-N 0 0 342.851 5.531 50 30 EKEARN CC(=O)c1ccc(N=Cc2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000000223000 563988870 /nfs/dbraw/zinc/98/88/70/563988870.db2.gz ZRFYGWGMDKULLZ-ZVHZXABRSA-N 0 0 347.389 5.358 50 30 EKEARN Cc1cc(O)c(/C=N/c2ccc(Cl)c(Cl)c2)c(C)c1Cl ZINC000000224093 563988968 /nfs/dbraw/zinc/98/89/68/563988968.db2.gz UEDONSAKABYVLN-FBCYGCLPSA-N 0 0 328.626 5.720 50 30 EKEARN Cc1cc(O)c(/C=N/c2ccc(Br)cc2)c(C)c1Cl ZINC000000224137 563988980 /nfs/dbraw/zinc/98/89/80/563988980.db2.gz RVWUQMLXQOTOCY-QGMBQPNBSA-N 0 0 338.632 5.176 50 30 EKEARN Cc1cc(Br)ccc1/N=C/c1c(O)ccc2ccccc12 ZINC000000224389 201451869 /nfs/dbraw/zinc/45/18/69/201451869.db2.gz DSNAIIJSCLJUAX-RGVLZGJSSA-N 0 0 340.220 5.367 50 30 EKEARN Clc1cccc(Cl)c1/C=N/c1ccc(Br)cc1 ZINC000000224655 563988989 /nfs/dbraw/zinc/98/89/89/563988989.db2.gz IZKXYVQWWOQLOW-CAOOACKPSA-N 0 0 329.024 5.507 50 30 EKEARN Oc1c(F)cccc1/C=N/c1ccc(-c2nc3ccccc3s2)cc1 ZINC000000225288 563988924 /nfs/dbraw/zinc/98/89/24/563988924.db2.gz UAPRECBKXBHINP-WSDLNYQXSA-N 0 0 348.402 5.559 50 30 EKEARN Cc1ccc2nc(-c3cccc(/N=C\c4cccc(F)c4O)c3)oc2c1 ZINC000000225308 563988928 /nfs/dbraw/zinc/98/89/28/563988928.db2.gz HLQGCYFNSDTYTM-FMCGGJTJSA-N 0 0 346.361 5.399 50 30 EKEARN Oc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000000226082 563988907 /nfs/dbraw/zinc/98/89/07/563988907.db2.gz KEIHISSLEKNJGM-LPYMAVHISA-N 0 0 337.806 5.375 50 30 EKEARN Oc1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1 ZINC000000226092 526341682 /nfs/dbraw/zinc/34/16/82/526341682.db2.gz KESYNZCTNXIGRD-LPYMAVHISA-N 0 0 337.806 5.375 50 30 EKEARN Cc1ccc(O)c(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1 ZINC000000226274 563988933 /nfs/dbraw/zinc/98/89/33/563988933.db2.gz NDOQRHZFBAKUKC-FSJBWODESA-N 0 0 346.361 5.399 50 30 EKEARN Cc1ccc(O)c(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1 ZINC000000226314 563988950 /nfs/dbraw/zinc/98/89/50/563988950.db2.gz KLVGSDQWUVBCOU-YDZHTSKRSA-N 0 0 342.398 5.568 50 30 EKEARN Cc1cc(O)c(/C=N/c2cc(Cl)ccc2Cl)c(C)c1Cl ZINC000000226391 563988966 /nfs/dbraw/zinc/98/89/66/563988966.db2.gz DZACNHATUSSUPL-FBCYGCLPSA-N 0 0 328.626 5.720 50 30 EKEARN Cc1cc(O)c(/C=N/c2cccc(Cl)c2Cl)c(C)c1Cl ZINC000000226428 563988976 /nfs/dbraw/zinc/98/89/76/563988976.db2.gz GDXYFMXCTWVBFY-FBCYGCLPSA-N 0 0 328.626 5.720 50 30 EKEARN Cc1cc(O)c(/C=N/c2ccc(Cl)cc2Cl)c(C)c1Cl ZINC000000226455 563988971 /nfs/dbraw/zinc/98/89/71/563988971.db2.gz OECIXFQEGMCDHX-FBCYGCLPSA-N 0 0 328.626 5.720 50 30 EKEARN O=[N+]([O-])c1cc(-c2ccc(/C=N/c3ccccc3F)o2)ccc1Cl ZINC000000226473 201451789 /nfs/dbraw/zinc/45/17/89/201451789.db2.gz ZCRDSCAPVFYLBZ-KEBDBYFISA-N 0 0 344.729 5.398 50 30 EKEARN Cc1cccc2oc(-c3ccc(/N=C/c4ccccc4O)cc3)nc21 ZINC000000226623 563988948 /nfs/dbraw/zinc/98/89/48/563988948.db2.gz LVXAEBTXZDLRHW-LPYMAVHISA-N 0 0 328.371 5.259 50 30 EKEARN Cc1c(C#N)c2nc3c(c(-c4ccccc4)c2n1-c1ccccc1)CCC3 ZINC000000227050 209497304 /nfs/dbraw/zinc/49/73/04/209497304.db2.gz ZAAVLMFIJPBMAF-UHFFFAOYSA-N 0 0 349.437 5.361 50 30 EKEARN N#Cc1c(N)n(C2CCCCC2)c(-c2ccccc2)c1-c1ccccc1 ZINC000000227150 563989025 /nfs/dbraw/zinc/98/90/25/563989025.db2.gz MXVYBPKMETXUEL-UHFFFAOYSA-N 0 0 341.458 5.781 50 30 EKEARN N#Cc1c2c(sc1/N=C/c1cccc(Br)c1)CCCC2 ZINC000000231381 563989041 /nfs/dbraw/zinc/98/90/41/563989041.db2.gz UEMKXMIZTLGMCW-VXLYETTFSA-N 0 0 345.265 5.012 50 30 EKEARN Cc1cc2nc(-c3ccc(/N=C/c4ccccc4O)cc3)oc2cc1C ZINC000000231620 209496728 /nfs/dbraw/zinc/49/67/28/209496728.db2.gz DURWGTYGEQKCNK-YDZHTSKRSA-N 0 0 342.398 5.568 50 30 EKEARN Cc1cc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)ccc1Cl ZINC000000235227 209498606 /nfs/dbraw/zinc/49/86/06/209498606.db2.gz XIYZMGRXFIZASH-UHFFFAOYSA-N 0 0 348.785 5.371 50 30 EKEARN Cc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000000237991 563264506 /nfs/dbraw/zinc/26/45/06/563264506.db2.gz XLMZZSTUBFDMLY-LFVJCYFKSA-N 0 0 337.426 5.598 50 30 EKEARN C(=N/Cc1ccccc1)\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000238001 563989074 /nfs/dbraw/zinc/98/90/74/563989074.db2.gz GFHCICQYWYWORY-JJIBRWJFSA-N 0 0 337.426 5.158 50 30 EKEARN O=C(On1c(-c2ccccc2)cc2ccccc21)c1ccc(Cl)cc1 ZINC000000239453 563989114 /nfs/dbraw/zinc/98/91/14/563989114.db2.gz OFTLEGGHEVHWNN-UHFFFAOYSA-N 0 0 347.801 5.231 50 30 EKEARN CCOc1ccc(/C=N/c2c(Cl)cc(Cl)cc2Cl)c(O)c1 ZINC000000240829 563989138 /nfs/dbraw/zinc/98/91/38/563989138.db2.gz DPRFXMBUAVMGGZ-UFWORHAWSA-N 0 0 344.625 5.502 50 30 EKEARN Clc1ccccc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 ZINC000000242213 563989135 /nfs/dbraw/zinc/98/91/35/563989135.db2.gz AYGKOOZKJDFFSQ-LPYMAVHISA-N 0 0 332.790 5.899 50 30 EKEARN Oc1ccccc1/C=N/c1ccc(-c2nc3ccccc3s2)cc1 ZINC000000242950 563989154 /nfs/dbraw/zinc/98/91/54/563989154.db2.gz DRLOEQUWBUTGTH-FYJGNVAPSA-N 0 0 330.412 5.420 50 30 EKEARN O=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1ccccc1O ZINC000000243143 563989182 /nfs/dbraw/zinc/98/91/82/563989182.db2.gz OWKKOKBURZUIED-LPYMAVHISA-N 0 0 335.790 5.027 50 30 EKEARN COc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1OC ZINC000000243277 563989185 /nfs/dbraw/zinc/98/91/85/563989185.db2.gz KPFDVXVRWYGWBU-HZHRSRAPSA-N 0 0 347.414 5.033 50 30 EKEARN Oc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000000243293 563989227 /nfs/dbraw/zinc/98/92/27/563989227.db2.gz OXUUBPYATUAFDA-LPYMAVHISA-N 0 0 337.806 5.375 50 30 EKEARN Cc1ccc(/C=N/c2ccc3c(c2)Cc2cc([N+](=O)[O-])ccc2-3)cc1 ZINC000000244668 563989207 /nfs/dbraw/zinc/98/92/07/563989207.db2.gz FZYVHZFFZSTXKF-LPYMAVHISA-N 0 0 328.371 5.225 50 30 EKEARN N#Cc1c(/N=C/c2ccccc2O)oc(-c2ccco2)c1-c1ccco1 ZINC000000244990 563917118 /nfs/dbraw/zinc/91/71/18/563917118.db2.gz GQKQXDFOTNNCDV-WSDLNYQXSA-N 0 0 344.326 5.127 50 30 EKEARN N#Cc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000245072 209502080 /nfs/dbraw/zinc/50/20/80/209502080.db2.gz FXZXRPIGAPLYTK-UHFFFAOYSA-N 0 0 349.393 5.026 50 30 EKEARN O=[N+]([O-])c1ccc(/C=N\c2ccc(-c3nc4ccccc4o3)cc2)s1 ZINC000000247604 563989404 /nfs/dbraw/zinc/98/94/04/563989404.db2.gz TVXDOUJVUAKOSJ-ODLFYWEKSA-N 0 0 349.371 5.215 50 30 EKEARN COc1cc(/C=C2\CC[C@@H](C3CCCC3)C2=O)ccc1OC(C)C ZINC000000247694 209504036 /nfs/dbraw/zinc/50/40/36/209504036.db2.gz GAUBFCKKPXZEQS-WQJNHMDYSA-N 0 0 328.452 5.035 50 30 EKEARN COc1cc(/C=C2\CC[C@H](C3CCCC3)C2=O)ccc1OC(C)C ZINC000000247704 563989410 /nfs/dbraw/zinc/98/94/10/563989410.db2.gz GAUBFCKKPXZEQS-XCMFGDQWSA-N 0 0 328.452 5.035 50 30 EKEARN COc1ccc(Br)cc1/C=C1\CC[C@@H](C2CCCC2)C1=O ZINC000000247716 209504230 /nfs/dbraw/zinc/50/42/30/209504230.db2.gz IXZHVHPLQRCRMI-ISBHARSQSA-N 0 0 349.268 5.010 50 30 EKEARN COc1ccc(Br)cc1/C=C1\CC[C@H](C2CCCC2)C1=O ZINC000000247729 563989426 /nfs/dbraw/zinc/98/94/26/563989426.db2.gz IXZHVHPLQRCRMI-QSOAKEGCSA-N 0 0 349.268 5.010 50 30 EKEARN COc1ccc(/C=C2\CC[C@@H](C3CCCC3)C2=O)cc1Br ZINC000000247807 209504068 /nfs/dbraw/zinc/50/40/68/209504068.db2.gz KPOVCPQMZUSJGH-IPJDOKCGSA-N 0 0 349.268 5.010 50 30 EKEARN COc1ccc(/C=C2\CC[C@H](C3CCCC3)C2=O)cc1Br ZINC000000247818 563989407 /nfs/dbraw/zinc/98/94/07/563989407.db2.gz KPOVCPQMZUSJGH-YVGNARHYSA-N 0 0 349.268 5.010 50 30 EKEARN O=C1/C(=C/c2ccc(Br)s2)CC[C@H]1C1CCCC1 ZINC000000247961 209503786 /nfs/dbraw/zinc/50/37/86/209503786.db2.gz CBLWCFSZZDLFQO-STRFDMGBSA-N 0 0 325.271 5.063 50 30 EKEARN O=C1/C(=C/c2ccc(Br)s2)CC[C@@H]1C1CCCC1 ZINC000000247968 563989416 /nfs/dbraw/zinc/98/94/16/563989416.db2.gz CBLWCFSZZDLFQO-YGNAEDSMSA-N 0 0 325.271 5.063 50 30 EKEARN O=C1CCCC2=C1[C@@H](c1cccc(O)c1)Nc1ccc3ccccc3c12 ZINC000000249692 563266497 /nfs/dbraw/zinc/26/64/97/563266497.db2.gz VAWGFUORCVODNQ-HSZRJFAPSA-N 0 0 341.410 5.219 50 30 EKEARN O=C1CCCC2=C1[C@H](c1cccc(O)c1)Nc1ccc3ccccc3c12 ZINC000000249694 209503817 /nfs/dbraw/zinc/50/38/17/209503817.db2.gz VAWGFUORCVODNQ-QHCPKHFHSA-N 0 0 341.410 5.219 50 30 EKEARN Cc1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(Cl)cc2)o1 ZINC000000255124 563989540 /nfs/dbraw/zinc/98/95/40/563989540.db2.gz MBIMFXBUTUJACV-WSDLNYQXSA-N 0 0 349.821 5.390 50 30 EKEARN O=C1C=C(C(F)(F)F)c2ccc(NC3CCCCC3)c3cccc1c32 ZINC000000266366 563989965 /nfs/dbraw/zinc/98/99/65/563989965.db2.gz WGRODSVWOMDGKF-UHFFFAOYSA-N 0 0 345.364 5.726 50 30 EKEARN C(=N/c1cccc2c(/N=C/c3cccnc3)cccc12)\c1cccnc1 ZINC000000271113 563269515 /nfs/dbraw/zinc/26/95/15/563269515.db2.gz XTPBVZXLXSSIKI-RYQLWAFASA-N 0 0 336.398 5.131 50 30 EKEARN Cc1cc(C)c(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c(C)c1 ZINC000000271141 524214472 /nfs/dbraw/zinc/21/44/72/524214472.db2.gz TUSIZPUBFADKNO-BUVRLJJBSA-N 0 0 343.426 5.582 50 30 EKEARN O=C(Nc1ccccc1)c1ccccc1/N=C/c1cccc(Cl)c1 ZINC000000273792 209514296 /nfs/dbraw/zinc/51/42/96/209514296.db2.gz WVFBRADPHIIHMQ-HYARGMPZSA-N 0 0 334.806 5.343 50 30 EKEARN CSc1ccc(/C=N/c2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000000273799 563270233 /nfs/dbraw/zinc/27/02/33/563270233.db2.gz RUUIMBQDUMVZAP-PXLXIMEGSA-N 0 0 346.455 5.411 50 30 EKEARN CCN(CC)c1ccc(/C=N/c2ccc(Cl)cc2Cl)c(O)c1 ZINC000000273874 563270255 /nfs/dbraw/zinc/27/02/55/563270255.db2.gz DINAEJLFKBMADM-RGVLZGJSSA-N 0 0 337.250 5.296 50 30 EKEARN Oc1ccc(Br)cc1/C=N/c1ccc(Cl)cc1Cl ZINC000000273876 563270230 /nfs/dbraw/zinc/27/02/30/563270230.db2.gz BMEZBEZNZSHTTB-REZTVBANSA-N 0 0 345.023 5.212 50 30 EKEARN O=[N+]([O-])c1cc(/C=N/c2ccc(Cl)cc2Cl)ccc1Cl ZINC000000273881 563270283 /nfs/dbraw/zinc/27/02/83/563270283.db2.gz PSBPITXGLCWXEN-REZTVBANSA-N 0 0 329.570 5.306 50 30 EKEARN Cc1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)cc1Cl ZINC000000275780 563990110 /nfs/dbraw/zinc/99/01/10/563990110.db2.gz CGPPUGJZFORWKZ-UHFFFAOYSA-N 0 0 348.785 5.371 50 30 EKEARN CC(C)(C)C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000000277472 564133061 /nfs/dbraw/zinc/13/30/61/564133061.db2.gz VBHAJILJMPFROG-UHFFFAOYSA-N 0 0 344.414 5.470 50 30 EKEARN Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000000277665 563271047 /nfs/dbraw/zinc/27/10/47/563271047.db2.gz NGJYVAGACHFEDB-FYJGNVAPSA-N 0 0 333.391 5.061 50 30 EKEARN Cc1cc(/C=N/c2ccccc2C)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000000277677 563271063 /nfs/dbraw/zinc/27/10/63/563271063.db2.gz PNYTVKGZDPMFNT-FYJGNVAPSA-N 0 0 333.391 5.061 50 30 EKEARN N#CC(C#N)[C@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1Cl ZINC000000279038 564087594 /nfs/dbraw/zinc/08/75/94/564087594.db2.gz RTPPZBYTKRRYNO-INIZCTEOSA-N 0 0 343.213 5.013 50 30 EKEARN N#CC(C#N)[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1Cl ZINC000000279040 201455639 /nfs/dbraw/zinc/45/56/39/201455639.db2.gz RTPPZBYTKRRYNO-MRXNPFEDSA-N 0 0 343.213 5.013 50 30 EKEARN N#CC(C#N)[C@@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000000279077 564118834 /nfs/dbraw/zinc/11/88/34/564118834.db2.gz LKOYBKGXZNMEHS-MRXNPFEDSA-N 0 0 343.213 5.013 50 30 EKEARN N#CC(C#N)[C@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000000279079 564118843 /nfs/dbraw/zinc/11/88/43/564118843.db2.gz LKOYBKGXZNMEHS-INIZCTEOSA-N 0 0 343.213 5.013 50 30 EKEARN CCn1c2ccccc2c2cc(/C=N/c3cccc(CO)c3)ccc21 ZINC000000282451 209517902 /nfs/dbraw/zinc/51/79/02/209517902.db2.gz CHLWQZNKBIPHBR-OEAKJJBVSA-N 0 0 328.415 5.057 50 30 EKEARN COc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1OC ZINC000000286722 563272974 /nfs/dbraw/zinc/27/29/74/563272974.db2.gz BAJVTWKEWSGTPB-PXLXIMEGSA-N 0 0 332.403 5.198 50 30 EKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccc(O)cc4)cc3)sc2c1 ZINC000000286742 563273071 /nfs/dbraw/zinc/27/30/71/563273071.db2.gz XFGRDQQZJSLAGL-LPYMAVHISA-N 0 0 344.439 5.728 50 30 EKEARN CCCC(=O)C1=C(Nc2cccc3ccccc32)CC(C)(C)CC1=O ZINC000000287273 563273084 /nfs/dbraw/zinc/27/30/84/563273084.db2.gz WZDYZIKQTDBOQZ-UHFFFAOYSA-N 0 0 335.447 5.264 50 30 EKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cccs3)sc2C1 ZINC000000291589 209519941 /nfs/dbraw/zinc/51/99/41/209519941.db2.gz DOBKPASEWIVRKB-NSHDSACASA-N 0 0 344.505 5.085 50 30 EKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cccs3)sc2C1 ZINC000000291591 564133063 /nfs/dbraw/zinc/13/30/63/564133063.db2.gz DOBKPASEWIVRKB-LLVKDONJSA-N 0 0 344.505 5.085 50 30 EKEARN CCOc1ccccc1/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000000292557 209521088 /nfs/dbraw/zinc/52/10/88/209521088.db2.gz CDKYHEKBHNMPGK-XQNSMLJCSA-N 0 0 331.415 5.415 50 30 EKEARN CCOc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000000292584 563274149 /nfs/dbraw/zinc/27/41/49/563274149.db2.gz BZVSGGRODDZHDY-XQNSMLJCSA-N 0 0 331.415 5.415 50 30 EKEARN COc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12 ZINC000000293264 563990289 /nfs/dbraw/zinc/99/02/89/563990289.db2.gz KXYBNSYLTIUMDF-RGVLZGJSSA-N 0 0 340.766 5.161 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)[C@H](c1ccco1)Nc1ccc3ccccc3c12 ZINC000000293578 563990280 /nfs/dbraw/zinc/99/02/80/563990280.db2.gz FXETTWCKRHZRDB-JOCHJYFZSA-N 0 0 343.426 5.742 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccco1)Nc1ccc3ccccc3c12 ZINC000000293579 209521954 /nfs/dbraw/zinc/52/19/54/209521954.db2.gz FXETTWCKRHZRDB-QFIPXVFZSA-N 0 0 343.426 5.742 50 30 EKEARN Cc1cc(O)c(/C=N/c2cc(C(C)(C)C)ccc2O)c(C)c1Cl ZINC000000295887 209521190 /nfs/dbraw/zinc/52/11/90/209521190.db2.gz HYJHRTXIZSNSGC-UFFVCSGVSA-N 0 0 331.843 5.416 50 30 EKEARN CC(C)(C)c1cc(/N=C/c2ccccc2O)c(O)c(C(C)(C)C)c1 ZINC000000296843 563274630 /nfs/dbraw/zinc/27/46/30/563274630.db2.gz FYIGTRINSIJEDN-LPYMAVHISA-N 0 0 325.452 5.443 50 30 EKEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2cc(Cl)cc(Cl)c2)c1 ZINC000000296876 209521725 /nfs/dbraw/zinc/52/17/25/209521725.db2.gz CQTHWAXRSQWZHU-REZTVBANSA-N 0 0 329.570 5.306 50 30 EKEARN COc1ccc2ccccc2c1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000296894 563274622 /nfs/dbraw/zinc/27/46/22/563274622.db2.gz BXGVVXJBQDFOSS-RGVLZGJSSA-N 0 0 340.766 5.161 50 30 EKEARN O=[N+]([O-])c1cc(/N=C/c2cccc(Cl)c2Cl)ccc1Cl ZINC000000297183 563274868 /nfs/dbraw/zinc/27/48/68/563274868.db2.gz UCVSTRSEYXZABT-REZTVBANSA-N 0 0 329.570 5.306 50 30 EKEARN CC(C)(C)c1cc(/N=C/c2ccc(O)cc2)c(O)c(C(C)(C)C)c1 ZINC000000297471 563274845 /nfs/dbraw/zinc/27/48/45/563274845.db2.gz AEWSVRCSLKOPOV-LPYMAVHISA-N 0 0 325.452 5.443 50 30 EKEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(Cl)c(Cl)c2)c1 ZINC000000297675 563274890 /nfs/dbraw/zinc/27/48/90/563274890.db2.gz UJPKDPYMYGDVAN-REZTVBANSA-N 0 0 329.570 5.306 50 30 EKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(C)c(F)c3)ccc21 ZINC000000297806 563274865 /nfs/dbraw/zinc/27/48/65/563274865.db2.gz CWEWVLSYVACYHL-ZVHZXABRSA-N 0 0 330.406 6.013 50 30 EKEARN Clc1cc(/N=C/c2c[nH]c3ccccc23)ccc1Br ZINC000000297828 563274886 /nfs/dbraw/zinc/27/48/86/563274886.db2.gz FKJNVCFBBHYMQG-QGMBQPNBSA-N 0 0 333.616 5.334 50 30 EKEARN O=[N+]([O-])c1cccc(/N=C/c2c3ccccc3cc3ccccc32)c1 ZINC000000297876 564075907 /nfs/dbraw/zinc/07/59/07/564075907.db2.gz SHXGGWZYEQOILJ-HYARGMPZSA-N 0 0 326.355 5.652 50 30 EKEARN COc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000000298088 563274908 /nfs/dbraw/zinc/27/49/08/563274908.db2.gz JPHAMGSWEIQBBE-SRZZPIQSSA-N 0 0 330.214 5.906 50 30 EKEARN Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000000298137 563274905 /nfs/dbraw/zinc/27/49/05/563274905.db2.gz TVZDRVMEWVLSBO-HYARGMPZSA-N 0 0 346.386 5.233 50 30 EKEARN Oc1ccc2ccccc2c1/C=N/c1ccc(Cl)c2cccnc12 ZINC000000300823 563917301 /nfs/dbraw/zinc/91/73/01/563917301.db2.gz QTMPKZZAILDABZ-FSJBWODESA-N 0 0 332.790 5.498 50 30 EKEARN CC(C)c1ccccc1NC=CC(=O)c1ccc(Br)cc1 ZINC000000302260 563276067 /nfs/dbraw/zinc/27/60/67/563276067.db2.gz KHOBLNUMQDFVNU-VAWYXSNFSA-N 0 0 344.252 5.381 50 30 EKEARN Cc1ccc(C(=O)C=CNc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000000302266 209524823 /nfs/dbraw/zinc/52/48/23/209524823.db2.gz GEZGDVZWWKJPFH-CMDGGOBGSA-N 0 0 339.744 5.476 50 30 EKEARN COc1ccc(C(=O)C=CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000000304239 523538087 /nfs/dbraw/zinc/53/80/87/523538087.db2.gz JRRPPFFZTZDOJO-FOCLMDBBSA-N 0 0 345.398 5.296 50 30 EKEARN COc1ccccc1NC=CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000304794 524532730 /nfs/dbraw/zinc/53/27/30/524532730.db2.gz UQZYSMDKEHODRR-FOCLMDBBSA-N 0 0 329.399 5.171 50 30 EKEARN CCOc1ccccc1NC1=CC(=O)C[C@@H](c2cccc(Cl)c2)C1 ZINC000000305475 521552350 /nfs/dbraw/zinc/55/23/50/521552350.db2.gz UYDZINGECUXKES-HNNXBMFYSA-N 0 0 341.838 5.181 50 30 EKEARN CCOc1ccccc1NC1=CC(=O)C[C@H](c2cccc(Cl)c2)C1 ZINC000000305477 521552640 /nfs/dbraw/zinc/55/26/40/521552640.db2.gz UYDZINGECUXKES-OAHLLOKOSA-N 0 0 341.838 5.181 50 30 EKEARN COc1cccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000000305571 526138237 /nfs/dbraw/zinc/13/82/37/526138237.db2.gz KESIVEVQVHLOQK-CCEZHUSRSA-N 0 0 329.399 5.171 50 30 EKEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(Cl)cc2Cl)c1 ZINC000000310729 209529244 /nfs/dbraw/zinc/52/92/44/209529244.db2.gz KBLANUPDCVBLRO-REZTVBANSA-N 0 0 329.570 5.306 50 30 EKEARN CC(C)(C)c1ccc(-c2nnc(SCc3cccc(C#N)c3)o2)cc1 ZINC000000311575 564133112 /nfs/dbraw/zinc/13/31/12/564133112.db2.gz KQQIEALBBXGBJN-UHFFFAOYSA-N 0 0 349.459 5.198 50 30 EKEARN C=CCC(O)(CC=C)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000000312769 563990942 /nfs/dbraw/zinc/99/09/42/563990942.db2.gz OLFFMBFVYQHICC-UHFFFAOYSA-N 0 0 349.861 5.895 50 30 EKEARN C=CCc1ccccc1OCc1cccc(C(=O)NC2CCCCC2)c1 ZINC000000314838 564074585 /nfs/dbraw/zinc/07/45/85/564074585.db2.gz LGQKSGDAKOCURE-UHFFFAOYSA-N 0 0 349.474 5.057 50 30 EKEARN Cc1ccc(Cl)cc1NC=CC(=O)c1ccc(Cl)cc1Cl ZINC000000315311 563282426 /nfs/dbraw/zinc/28/24/26/563282426.db2.gz VKOQYJIRWZHNJL-VOTSOKGWSA-N 0 0 340.637 5.764 50 30 EKEARN O=C(C=CNc1ccc(Cl)c(F)c1)c1ccc(Cl)cc1Cl ZINC000000315569 563282754 /nfs/dbraw/zinc/28/27/54/563282754.db2.gz RTEWJNNZHJPZCP-AATRIKPKSA-N 0 0 344.600 5.594 50 30 EKEARN Cc1cccc(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1O ZINC000000318211 209535037 /nfs/dbraw/zinc/53/50/37/209535037.db2.gz SXTOPAUFPLDWEU-YDZHTSKRSA-N 0 0 342.398 5.568 50 30 EKEARN Cc1cccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1O ZINC000000318229 563917305 /nfs/dbraw/zinc/91/73/05/563917305.db2.gz YUQNGRPKIFYEJV-LPYMAVHISA-N 0 0 328.371 5.259 50 30 EKEARN Cc1ccc2oc(-c3cccc(/N=C/c4cccc(C)c4O)c3)nc2c1 ZINC000000318234 563991009 /nfs/dbraw/zinc/99/10/09/563991009.db2.gz DFEVRLHYSDNHDJ-YDZHTSKRSA-N 0 0 342.398 5.568 50 30 EKEARN CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000000320438 564133115 /nfs/dbraw/zinc/13/31/15/564133115.db2.gz IQIQDWIVVFBVQW-UHFFFAOYSA-N 0 0 338.476 5.048 50 30 EKEARN O=C1CCCC2=C1[C@@H](c1cccs1)Nc1ccc3ccccc3c12 ZINC000000322192 563284267 /nfs/dbraw/zinc/28/42/67/563284267.db2.gz WRWCUVXYIFLUKA-OAQYLSRUSA-N 0 0 331.440 5.575 50 30 EKEARN O=C1CCCC2=C1[C@H](c1cccs1)Nc1ccc3ccccc3c12 ZINC000000322195 209537922 /nfs/dbraw/zinc/53/79/22/209537922.db2.gz WRWCUVXYIFLUKA-NRFANRHFSA-N 0 0 331.440 5.575 50 30 EKEARN COc1ccccc1/C=N/c1ccc(/N=C\c2ccccc2OC)cc1 ZINC000000322662 524325668 /nfs/dbraw/zinc/32/56/68/524325668.db2.gz TYISIADVNXXHSY-REPVBDINSA-N 0 0 344.414 5.205 50 30 EKEARN O=C1CCCC2=C1[C@H](c1ccc(F)cc1)Nc1ccc3ccccc3c12 ZINC000000324980 563991241 /nfs/dbraw/zinc/99/12/41/563991241.db2.gz KLABSMJXOKTCCV-QHCPKHFHSA-N 0 0 343.401 5.652 50 30 EKEARN CCc1c(C)sc(NC(=O)c2ccc(C(C)(C)C)cc2)c1C#N ZINC000000327855 564133098 /nfs/dbraw/zinc/13/30/98/564133098.db2.gz SANWJJHTNKHVDI-UHFFFAOYSA-N 0 0 326.465 5.040 50 30 EKEARN O=[N+]([O-])c1cccc(-c2ccc(/C=N/c3ccccc3Cl)o2)c1 ZINC000000330574 209539144 /nfs/dbraw/zinc/53/91/44/209539144.db2.gz SDMOIEUXHYOUCA-YBFXNURJSA-N 0 0 326.739 5.259 50 30 EKEARN N#Cc1c(Br)nc(-c2ccccc2)cc1-c1ccccc1 ZINC000000333321 564133122 /nfs/dbraw/zinc/13/31/22/564133122.db2.gz MHQOWNRJNSJRED-UHFFFAOYSA-N 0 0 335.204 5.050 50 30 aggregator EKEARN CCOc1ccc(/C=N/c2ccc3c(c2)C(=O)c2ccccc2-3)cc1 ZINC000000339130 209539715 /nfs/dbraw/zinc/53/97/15/209539715.db2.gz MKNRBMCFGAETPO-OEAKJJBVSA-N 0 0 327.383 5.047 50 30 EKEARN O=C1c2ccccc2S/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000000340283 563286014 /nfs/dbraw/zinc/28/60/14/563286014.db2.gz YFVQQQAAVGIXKX-WOJGMQOQSA-N 0 0 338.815 5.930 50 30 EKEARN CCCC(=O)C1=C(Nc2ccc3ccccc3c2)CC(C)(C)CC1=O ZINC000000340906 201461430 /nfs/dbraw/zinc/46/14/30/201461430.db2.gz WONWIEBWYSJBGW-UHFFFAOYSA-N 0 0 335.447 5.264 50 30 EKEARN CCCC(=O)C1=C(Nc2ccccc2C)C[C@@H](c2ccccc2)CC1=O ZINC000000340910 563286265 /nfs/dbraw/zinc/28/62/65/563286265.db2.gz GRUJCUJXRBDWKL-GOSISDBHSA-N 0 0 347.458 5.177 50 30 EKEARN CCCC(=O)C1=C(Nc2ccccc2C)C[C@H](c2ccccc2)CC1=O ZINC000000340912 563286273 /nfs/dbraw/zinc/28/62/73/563286273.db2.gz GRUJCUJXRBDWKL-SFHVURJKSA-N 0 0 347.458 5.177 50 30 EKEARN CC(C)Oc1ccc(CNC(=S)Nc2ccccc2)cc1Cl ZINC000000341067 209541821 /nfs/dbraw/zinc/54/18/21/209541821.db2.gz LHWULTOXMMQPCS-UHFFFAOYSA-N 0 0 334.872 5.025 50 30 EKEARN CC(C)COc1ccc(CNC(=S)Nc2ccccc2)cc1Cl ZINC000000341070 519762692 /nfs/dbraw/zinc/76/26/92/519762692.db2.gz ZZVUMPFJBBQVDQ-UHFFFAOYSA-N 0 0 348.899 5.273 50 30 EKEARN Cc1cccc(-c2nc3cc(/N=C/c4cccc(C)c4O)ccc3o2)c1 ZINC000000341862 563286618 /nfs/dbraw/zinc/28/66/18/563286618.db2.gz PVXLJGBXMAFWNU-YDZHTSKRSA-N 0 0 342.398 5.568 50 30 EKEARN CC1=C(Sc2ccc3ccccc3c2)C(=O)c2ccccc2C1=O ZINC000000344030 563287331 /nfs/dbraw/zinc/28/73/31/563287331.db2.gz VJNUKEXIWYTSIY-UHFFFAOYSA-N 0 0 330.408 5.285 50 30 EKEARN N#Cc1cc(F)c(Sc2ccc(Cl)cc2)cc1Br ZINC000000346928 564133129 /nfs/dbraw/zinc/13/31/29/564133129.db2.gz OIISXANEZXEJFG-UHFFFAOYSA-N 0 0 342.620 5.264 50 30 EKEARN C(=N/c1ccc(-c2ccc(/N=C/c3ccco3)cc2)cc1)\c1ccco1 ZINC000000348270 563991490 /nfs/dbraw/zinc/99/14/90/563991490.db2.gz GABRIJCNEJQZLY-DFEHQXHXSA-N 0 0 340.382 6.041 50 30 EKEARN N#Cc1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000000348364 563991486 /nfs/dbraw/zinc/99/14/86/563991486.db2.gz RMVJLWCSUIJHBF-UHFFFAOYSA-N 0 0 349.393 5.475 50 30 EKEARN CC1(C)Cc2c(cc(-c3ccccc3)n2-c2ccccc2)/C(=N/O)C1 ZINC000000348996 563288666 /nfs/dbraw/zinc/28/86/66/563288666.db2.gz WWTBXGDLSRIVBK-FCDQGJHFSA-N 0 0 330.431 5.295 50 30 EKEARN CCn1c2ccccc2nc1/N=C/c1c2ccccc2cc2ccccc21 ZINC000000349369 563288657 /nfs/dbraw/zinc/28/86/57/563288657.db2.gz YKFYADNTIMIGCY-PCLIKHOPSA-N 0 0 349.437 6.113 50 30 EKEARN COc1ccc2c(c1)C=C1C(=C/C(=N\c3ccccc3)CC1(C)C)O2 ZINC000000349431 563288724 /nfs/dbraw/zinc/28/87/24/563288724.db2.gz XIDUSONNFGABIA-HAVVHWLPSA-N 0 0 331.415 5.558 50 30 EKEARN N#Cc1ccc(-c2cccs2)nc1SCc1cccc(Cl)c1 ZINC000000350898 568422623 /nfs/dbraw/zinc/42/26/23/568422623.db2.gz XITBXVFVWPOZNB-UHFFFAOYSA-N 0 0 342.876 5.627 50 30 EKEARN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(SC(F)F)cc1)C2 ZINC000000351937 564074535 /nfs/dbraw/zinc/07/45/35/564074535.db2.gz DBYWPCBBWJUTBP-SGTLLEGYSA-N 0 0 337.435 5.322 50 30 EKEARN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(SC(F)F)cc1)C2 ZINC000000351940 564074529 /nfs/dbraw/zinc/07/45/29/564074529.db2.gz DBYWPCBBWJUTBP-KZULUSFZSA-N 0 0 337.435 5.322 50 30 EKEARN C=CCn1c2c(s/c1=N\c1ccc(C)cc1)CCc1ccccc1-2 ZINC000000352530 564074537 /nfs/dbraw/zinc/07/45/37/564074537.db2.gz VXIVQSWZGJTFMI-DQRAZIAOSA-N 0 0 332.472 5.042 50 30 EKEARN O=C1c2ccccc2S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000353024 563991576 /nfs/dbraw/zinc/99/15/76/563991576.db2.gz IJIJIDSSHGTWET-WQRHYEAKSA-N 0 0 349.367 5.184 50 30 EKEARN N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000000353734 201462756 /nfs/dbraw/zinc/46/27/56/201462756.db2.gz BGFSRVRSAFLNLK-UHFFFAOYSA-N 0 0 348.789 5.256 50 30 EKEARN N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000000353738 201462760 /nfs/dbraw/zinc/46/27/60/201462760.db2.gz BIJVFGOUNRNXQA-UHFFFAOYSA-N 0 0 348.789 5.256 50 30 EKEARN Cc1sc(NC(=O)C(c2ccccc2)c2ccccc2)c(C#N)c1C ZINC000000354237 209547470 /nfs/dbraw/zinc/54/74/70/209547470.db2.gz IMMHGPKDOVCWKV-UHFFFAOYSA-N 0 0 346.455 5.007 50 30 EKEARN N#Cc1ccccc1/N=C1\CCCN1c1ccc(Cl)c(Cl)c1 ZINC000000354312 201462674 /nfs/dbraw/zinc/46/26/74/201462674.db2.gz GHIUPFAKCFDHRM-HEHNFIMWSA-N 0 0 330.218 5.195 50 30 EKEARN COc1ccc(/C=N/c2ccc(C(=O)Nc3ccccc3C)cc2)cc1 ZINC000000354629 563290793 /nfs/dbraw/zinc/29/07/93/563290793.db2.gz AFOXSLGUBQQGQY-HZHRSRAPSA-N 0 0 344.414 5.007 50 30 EKEARN Cc1ccc(O)c(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1 ZINC000000354797 563290871 /nfs/dbraw/zinc/29/08/71/563290871.db2.gz VRGVDKIJVIIXBR-LPYMAVHISA-N 0 0 328.371 5.259 50 30 EKEARN Cc1ccc2oc(-c3ccc(/N=C/c4cc(C)ccc4O)cc3)nc2c1 ZINC000000354800 563290811 /nfs/dbraw/zinc/29/08/11/563290811.db2.gz MFSQQUAEQJMIRE-YDZHTSKRSA-N 0 0 342.398 5.568 50 30 EKEARN Cc1ccc2oc(-c3cccc(/N=C/c4cc(C)ccc4O)c3)nc2c1 ZINC000000354807 563290882 /nfs/dbraw/zinc/29/08/82/563290882.db2.gz NUTDLMLLAKQQDF-YDZHTSKRSA-N 0 0 342.398 5.568 50 30 EKEARN Cc1ccc(-c2nc3cc(/N=C/c4cc(C)ccc4O)ccc3o2)cc1 ZINC000000354856 201462409 /nfs/dbraw/zinc/46/24/09/201462409.db2.gz OBOSVWYKTBMQTI-YDZHTSKRSA-N 0 0 342.398 5.568 50 30 EKEARN CCOc1ccc(/C=N/c2nc3c(ccc4ccccc34)s2)cc1 ZINC000000354931 563290843 /nfs/dbraw/zinc/29/08/43/563290843.db2.gz OAYMWLDLLMTNEH-FYJGNVAPSA-N 0 0 332.428 5.599 50 30 EKEARN Cc1cccc(CSc2nc(C(F)(F)F)c3c(c2C#N)CCC3)c1 ZINC000000355804 209548842 /nfs/dbraw/zinc/54/88/42/209548842.db2.gz NPLHBSMOHFNOQZ-UHFFFAOYSA-N 0 0 348.393 5.062 50 30 EKEARN Cc1ccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)s1 ZINC000000361073 563293807 /nfs/dbraw/zinc/29/38/07/563293807.db2.gz BQGJOGDHCNYPGS-UDWIEESQSA-N 0 0 334.469 6.084 50 30 EKEARN COc1ccccc1/C=N/c1cccc(-c2nc3ccccc3o2)c1 ZINC000000361134 563293764 /nfs/dbraw/zinc/29/37/64/563293764.db2.gz AWHXSLWFMCOCEA-HYARGMPZSA-N 0 0 328.371 5.254 50 30 EKEARN COc1ccccc1/C=N/c1ccc(-c2nc3ccccc3o2)cc1 ZINC000000361139 563293685 /nfs/dbraw/zinc/29/36/85/563293685.db2.gz DDEREMQBVQSJCO-HYARGMPZSA-N 0 0 328.371 5.254 50 30 EKEARN CN(C)c1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1 ZINC000000361165 201463725 /nfs/dbraw/zinc/46/37/25/201463725.db2.gz YKNLCPWTXQKDKQ-XQNSMLJCSA-N 0 0 330.431 5.082 50 30 EKEARN CCOc1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1 ZINC000000361361 563293750 /nfs/dbraw/zinc/29/37/50/563293750.db2.gz PWFDZLHOGRCMTG-HZHRSRAPSA-N 0 0 342.398 5.644 50 30 EKEARN CCOc1ccc(/C=N/c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000000361377 209551266 /nfs/dbraw/zinc/55/12/66/209551266.db2.gz UJNPJHAYENQOQT-XQNSMLJCSA-N 0 0 344.414 5.088 50 30 EKEARN COc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CCCC2 ZINC000000368451 563297279 /nfs/dbraw/zinc/29/72/79/563297279.db2.gz DXPDNYQVXBVRDP-YDZHTSKRSA-N 0 0 346.455 5.411 50 30 EKEARN Cc1cc(C(F)(F)F)nc(SCc2ccc(Cl)cc2)c1C#N ZINC000000372224 564133135 /nfs/dbraw/zinc/13/31/35/564133135.db2.gz IETJLBZONGMLJT-UHFFFAOYSA-N 0 0 342.773 5.226 50 30 EKEARN CCc1c(C)sc(NC(=O)c2ccc(Cl)c(Cl)c2)c1C#N ZINC000000375540 564051077 /nfs/dbraw/zinc/05/10/77/564051077.db2.gz OTQBDZZDJOXWKU-UHFFFAOYSA-N 0 0 339.247 5.050 50 30 EKEARN N#Cc1c(=S)[nH]c2c(c1-c1cccs1)C[C@@H](c1ccccc1)CC2 ZINC000000377112 201465979 /nfs/dbraw/zinc/46/59/79/201465979.db2.gz KWVLDPUENROASN-AWEZNQCLSA-N 0 0 348.496 5.617 50 30 EKEARN N#Cc1c(=S)[nH]c2c(c1-c1cccs1)C[C@H](c1ccccc1)CC2 ZINC000000377114 564133156 /nfs/dbraw/zinc/13/31/56/564133156.db2.gz KWVLDPUENROASN-CQSZACIVSA-N 0 0 348.496 5.617 50 30 EKEARN N#Cc1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N ZINC000000377369 201465772 /nfs/dbraw/zinc/46/57/72/201465772.db2.gz XANVKORFTYYQCZ-UHFFFAOYSA-N 0 0 333.441 5.146 50 30 EKEARN CN(C)c1ccc(/C=C2/Sc3c(ccc4ccccc34)C2=O)cc1 ZINC000000378178 563299385 /nfs/dbraw/zinc/29/93/85/563299385.db2.gz GFXXOOMHYYNVMS-CPNJWEJPSA-N 0 0 331.440 5.235 50 30 EKEARN Cc1ccc(Cl)cc1-c1ccc(C=C2C(=O)c3ccccc3C2=O)o1 ZINC000000382257 563300274 /nfs/dbraw/zinc/30/02/74/563300274.db2.gz HEUJYGCUUNXRRE-UHFFFAOYSA-N 0 0 348.785 5.371 50 30 EKEARN C=CCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(C)cc1 ZINC000000383196 564074536 /nfs/dbraw/zinc/07/45/36/564074536.db2.gz TVYUILGPRKHQDI-UHFFFAOYSA-N 0 0 330.383 5.552 50 30 EKEARN Clc1ccc(/N=C2/S/C(=N\C3CCCC3)C3=C2CCCC3)cc1 ZINC000000383305 563300672 /nfs/dbraw/zinc/30/06/72/563300672.db2.gz OXQCCHGAUVLVJT-JXDXAWHESA-N 0 0 344.911 6.329 50 30 EKEARN FC(F)(F)c1ccccc1/N=C/c1ccccc1Br ZINC000000384807 563301528 /nfs/dbraw/zinc/30/15/28/563301528.db2.gz CBXGUQKPYXSOJC-DJKKODMXSA-N 0 0 328.131 5.219 50 30 EKEARN N#CC[C@@H](C#N)c1c(-c2ccccc2)cn2c3ccccc3sc12 ZINC000000386636 563303152 /nfs/dbraw/zinc/30/31/52/563303152.db2.gz KBJOOCPSDIDBSD-HNNXBMFYSA-N 0 0 327.412 5.342 50 30 EKEARN N#CC[C@H](C#N)c1c(-c2ccccc2)cn2c3ccccc3sc12 ZINC000000386637 563303163 /nfs/dbraw/zinc/30/31/63/563303163.db2.gz KBJOOCPSDIDBSD-OAHLLOKOSA-N 0 0 327.412 5.342 50 30 EKEARN N#CC(C#N)[C@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000000388885 209566082 /nfs/dbraw/zinc/56/60/82/209566082.db2.gz UTKARTWWCDLKDG-QGZVFWFLSA-N 0 0 343.213 5.013 50 30 EKEARN N#CC(C#N)[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000000388886 564118836 /nfs/dbraw/zinc/11/88/36/564118836.db2.gz UTKARTWWCDLKDG-KRWDZBQOSA-N 0 0 343.213 5.013 50 30 EKEARN N#CC(C#N)[C@H](CC(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000000388887 564118850 /nfs/dbraw/zinc/11/88/50/564118850.db2.gz ZCIHQALSWXKXFD-CYBMUJFWSA-N 0 0 349.242 5.075 50 30 EKEARN N#CC(C#N)[C@@H](CC(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000000388888 209565660 /nfs/dbraw/zinc/56/56/60/209565660.db2.gz ZCIHQALSWXKXFD-ZDUSSCGKSA-N 0 0 349.242 5.075 50 30 EKEARN C=C(C)CSc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000000390108 518627449 /nfs/dbraw/zinc/62/74/49/518627449.db2.gz NCLVPQGTFVQZRN-UHFFFAOYSA-N 0 0 328.915 5.152 50 30 EKEARN COc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000000390656 201467979 /nfs/dbraw/zinc/46/79/79/201467979.db2.gz OTAVLDPAPRBHRJ-UHFFFAOYSA-N 0 0 326.808 5.011 50 30 EKEARN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)ON1CCCCC1 ZINC000000397719 209568946 /nfs/dbraw/zinc/56/89/46/209568946.db2.gz FEBQGHVYHQPBNI-UHFFFAOYSA-N 0 0 346.814 5.082 50 30 EKEARN N#Cc1ccc(NC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000000397971 201467610 /nfs/dbraw/zinc/46/76/10/201467610.db2.gz KGJSTIBIQFWIMS-UHFFFAOYSA-N 0 0 340.597 5.162 50 30 EKEARN N#Cc1ccc(OC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000000398251 563841702 /nfs/dbraw/zinc/84/17/02/563841702.db2.gz JEUXXQBLPUKVEU-UHFFFAOYSA-N 0 0 341.581 5.129 50 30 EKEARN N#CC[C@@H](c1ccc(Cl)cc1)[C@H](C#N)c1c(Cl)cccc1Cl ZINC000000401067 209569526 /nfs/dbraw/zinc/56/95/26/209569526.db2.gz FAOJHKVJPXSZAM-KBPBESRZSA-N 0 0 349.648 5.951 50 30 EKEARN N#CC[C@@H](c1ccc(Cl)cc1)[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000000401068 209569985 /nfs/dbraw/zinc/56/99/85/209569985.db2.gz FAOJHKVJPXSZAM-UONOGXRCSA-N 0 0 349.648 5.951 50 30 EKEARN N#CC[C@H](c1ccc(Cl)cc1)[C@H](C#N)c1c(Cl)cccc1Cl ZINC000000401069 209569725 /nfs/dbraw/zinc/56/97/25/209569725.db2.gz FAOJHKVJPXSZAM-KGLIPLIRSA-N 0 0 349.648 5.951 50 30 EKEARN N#CC[C@H](c1ccc(Cl)cc1)[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000000401070 563305919 /nfs/dbraw/zinc/30/59/19/563305919.db2.gz FAOJHKVJPXSZAM-ZIAGYGMSSA-N 0 0 349.648 5.951 50 30 EKEARN N#CC[C@H](c1ccc(Cl)cc1)[C@@H](C#N)c1ccc(Cl)cc1Cl ZINC000000401083 209569495 /nfs/dbraw/zinc/56/94/95/209569495.db2.gz FOBJXMMSMOPHTE-GDBMZVCRSA-N 0 0 349.648 5.951 50 30 EKEARN N#CC[C@@H](c1ccc(Cl)cc1)[C@@H](C#N)c1ccc(Cl)cc1Cl ZINC000000401084 563305866 /nfs/dbraw/zinc/30/58/66/563305866.db2.gz FOBJXMMSMOPHTE-GOEBONIOSA-N 0 0 349.648 5.951 50 30 EKEARN N#CC[C@H](c1ccc(Cl)cc1)[C@H](C#N)c1ccc(Cl)cc1Cl ZINC000000401085 526481839 /nfs/dbraw/zinc/48/18/39/526481839.db2.gz FOBJXMMSMOPHTE-ZBFHGGJFSA-N 0 0 349.648 5.951 50 30 EKEARN N#CC[C@@H](c1ccc(Cl)cc1)[C@H](C#N)c1ccc(Cl)cc1Cl ZINC000000401086 563305886 /nfs/dbraw/zinc/30/58/86/563305886.db2.gz FOBJXMMSMOPHTE-HOCLYGCPSA-N 0 0 349.648 5.951 50 30 EKEARN N#CC[C@H](c1ccc(Cl)cc1)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000000401091 209570011 /nfs/dbraw/zinc/57/00/11/209570011.db2.gz JPWXXTTWMXDSLJ-CABCVRRESA-N 0 0 349.648 5.951 50 30 EKEARN N#CC[C@@H](c1ccc(Cl)cc1)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000000401092 563305875 /nfs/dbraw/zinc/30/58/75/563305875.db2.gz JPWXXTTWMXDSLJ-GJZGRUSLSA-N 0 0 349.648 5.951 50 30 EKEARN N#CC[C@H](c1ccc(Cl)cc1)[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000000401093 563305859 /nfs/dbraw/zinc/30/58/59/563305859.db2.gz JPWXXTTWMXDSLJ-HUUCEWRRSA-N 0 0 349.648 5.951 50 30 EKEARN N#CC[C@@H](c1ccc(Cl)cc1)[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000000401094 563305817 /nfs/dbraw/zinc/30/58/17/563305817.db2.gz JPWXXTTWMXDSLJ-LSDHHAIUSA-N 0 0 349.648 5.951 50 30 EKEARN N#CC(C#N)[C@@H](CC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000000401107 563305841 /nfs/dbraw/zinc/30/58/41/563305841.db2.gz TXYNTTJRBDTUMG-HNNXBMFYSA-N 0 0 343.213 5.013 50 30 EKEARN N#CC(C#N)[C@H](CC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000000401108 563305894 /nfs/dbraw/zinc/30/58/94/563305894.db2.gz TXYNTTJRBDTUMG-OAHLLOKOSA-N 0 0 343.213 5.013 50 30 EKEARN N#CC(C#N)[C@@H](CC(=O)c1ccccc1)c1c(Cl)cccc1Cl ZINC000000401111 563305827 /nfs/dbraw/zinc/30/58/27/563305827.db2.gz NJTADABZOFJARF-CQSZACIVSA-N 0 0 343.213 5.013 50 30 EKEARN N#CC(C#N)[C@H](CC(=O)c1ccccc1)c1c(Cl)cccc1Cl ZINC000000401112 563305879 /nfs/dbraw/zinc/30/58/79/563305879.db2.gz NJTADABZOFJARF-AWEZNQCLSA-N 0 0 343.213 5.013 50 30 EKEARN C=CCc1ccc(OC(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000000401557 519134730 /nfs/dbraw/zinc/13/47/30/519134730.db2.gz AHZXSGQWHBYNJN-UHFFFAOYSA-N 0 0 333.387 5.188 50 30 EKEARN N#Cc1sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c2c1N ZINC000000405776 201468670 /nfs/dbraw/zinc/46/86/70/201468670.db2.gz MPBXCQQVPHVCLV-UHFFFAOYSA-N 0 0 345.402 5.223 50 30 EKEARN Cc1cccc(Oc2cc(C#N)c(C#N)cc2Oc2cccc(C)c2)c1 ZINC000000407441 209570759 /nfs/dbraw/zinc/57/07/59/209570759.db2.gz OXDNIUXKTKQZCS-UHFFFAOYSA-N 0 0 340.382 5.631 50 30 EKEARN CCCc1cc(NC2CCCCC2)n2c3ccccc3nc2c1C#N ZINC000000409560 209573204 /nfs/dbraw/zinc/57/32/04/209573204.db2.gz ARJUMZQSTGKBLU-UHFFFAOYSA-N 0 0 332.451 5.056 50 30 EKEARN CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2Cl)c1C#N ZINC000000433992 564133261 /nfs/dbraw/zinc/13/32/61/564133261.db2.gz IHHNKCMOFNAZPQ-UHFFFAOYSA-N 0 0 339.247 5.050 50 30 EKEARN C=CCN(CC=C)C(=O)c1cc(-c2ccc(C)s2)nc2ccccc21 ZINC000000434045 564074566 /nfs/dbraw/zinc/07/45/66/564074566.db2.gz WEDDURGGUFAQSW-UHFFFAOYSA-N 0 0 348.471 5.086 50 30 EKEARN CCOc1ccc(/C=N/CC2(c3ccccc3)CCCC2)cc1OC ZINC000000439009 520851115 /nfs/dbraw/zinc/85/11/15/520851115.db2.gz AZXJGJCXJMITFH-XQNSMLJCSA-N 0 0 337.463 5.025 50 30 EKEARN CC(=O)Nc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000000443303 563905964 /nfs/dbraw/zinc/90/59/64/563905964.db2.gz BBTDPFNWSBEWCP-UHFFFAOYSA-N 0 0 344.414 5.715 50 30 EKEARN Cc1ccc2c(c1)N[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000446285 209605506 /nfs/dbraw/zinc/60/55/06/209605506.db2.gz YIDFNWAMPSEXAP-IBGZPJMESA-N 0 0 338.476 5.278 50 30 EKEARN Cc1ccc2c(c1)N[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000446286 209606360 /nfs/dbraw/zinc/60/63/60/209606360.db2.gz YIDFNWAMPSEXAP-LJQANCHMSA-N 0 0 338.476 5.278 50 30 EKEARN Cc1ccc([C@@H]2Nc3cc(C)ccc3NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000000448789 209606696 /nfs/dbraw/zinc/60/66/96/209606696.db2.gz VNOOCFBEFOUABS-FQEVSTJZSA-N 0 0 336.435 5.118 50 30 EKEARN Cc1ccc([C@H]2Nc3cc(C)ccc3NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000000448790 563318443 /nfs/dbraw/zinc/31/84/43/563318443.db2.gz VNOOCFBEFOUABS-HXUWFJFHSA-N 0 0 336.435 5.118 50 30 EKEARN O=C1C=C(Nc2cc(Cl)cc(Cl)c2)C[C@H](c2ccccc2)C1 ZINC000000449238 563318475 /nfs/dbraw/zinc/31/84/75/563318475.db2.gz BESDWBVLZAADFL-ZDUSSCGKSA-N 0 0 332.230 5.436 50 30 EKEARN O=C1C=C(Nc2cc(Cl)cc(Cl)c2)C[C@@H](c2ccccc2)C1 ZINC000000449239 201474673 /nfs/dbraw/zinc/47/46/73/201474673.db2.gz BESDWBVLZAADFL-CYBMUJFWSA-N 0 0 332.230 5.436 50 30 EKEARN O=C(C=CNc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000000449527 563318582 /nfs/dbraw/zinc/31/85/82/563318582.db2.gz QQZOVNGNRUBYGE-CMDGGOBGSA-N 0 0 325.717 5.167 50 30 EKEARN O=C1C=C(Nc2ccc(Cl)cc2)C[C@H](c2ccc(Cl)cc2)C1 ZINC000000449782 209607420 /nfs/dbraw/zinc/60/74/20/209607420.db2.gz BVDLZPMYJKYNLU-ZDUSSCGKSA-N 0 0 332.230 5.436 50 30 EKEARN O=C1C=C(Nc2ccc(Cl)cc2)C[C@@H](c2ccc(Cl)cc2)C1 ZINC000000449784 201474601 /nfs/dbraw/zinc/47/46/01/201474601.db2.gz BVDLZPMYJKYNLU-CYBMUJFWSA-N 0 0 332.230 5.436 50 30 EKEARN N#Cc1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1 ZINC000000450058 564133242 /nfs/dbraw/zinc/13/32/42/564133242.db2.gz CTPPGPMEYLGTLU-UHFFFAOYSA-N 0 0 327.412 5.344 50 30 EKEARN C=C(C)Cn1c2ccccc2nc1-c1cccc(Br)c1 ZINC000000452254 258017347 /nfs/dbraw/zinc/01/73/47/258017347.db2.gz GIOGFXJDXKSPRA-UHFFFAOYSA-N 0 0 327.225 5.042 50 30 EKEARN O=C1C=C(Nc2cc(Cl)ccc2O)C[C@H](c2ccc(Cl)cc2)C1 ZINC000000452318 563321428 /nfs/dbraw/zinc/32/14/28/563321428.db2.gz HQAJRTOXNKUMJG-LBPRGKRZSA-N 0 0 348.229 5.142 50 30 EKEARN O=C1C=C(Nc2cc(Cl)ccc2O)C[C@@H](c2ccc(Cl)cc2)C1 ZINC000000452319 563321436 /nfs/dbraw/zinc/32/14/36/563321436.db2.gz HQAJRTOXNKUMJG-GFCCVEGCSA-N 0 0 348.229 5.142 50 30 EKEARN N#Cc1cc(Oc2ccc(C3CCCCC3)cc2)c([N+](=O)[O-])cc1C#N ZINC000000453211 564133275 /nfs/dbraw/zinc/13/32/75/564133275.db2.gz RGUWRINPZFRUPK-UHFFFAOYSA-N 0 0 347.374 5.178 50 30 EKEARN N#Cc1c(NC(=O)c2cccc3ccccc32)sc2c1CCCCC2 ZINC000000453888 564133267 /nfs/dbraw/zinc/13/32/67/564133267.db2.gz ZKEVPBTXYZQWTQ-UHFFFAOYSA-N 0 0 346.455 5.294 50 30 EKEARN N#Cc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000000456489 564133248 /nfs/dbraw/zinc/13/32/48/564133248.db2.gz PMTFFTBTWUDHDY-FQEVSTJZSA-N 0 0 344.439 5.030 50 30 EKEARN N#Cc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000000456490 564133256 /nfs/dbraw/zinc/13/32/56/564133256.db2.gz PMTFFTBTWUDHDY-HXUWFJFHSA-N 0 0 344.439 5.030 50 30 EKEARN CSC1=N/C(=C\c2ccc(-c3ccc(C)c(Cl)c3)o2)C(=O)S1 ZINC000000458351 209612340 /nfs/dbraw/zinc/61/23/40/209612340.db2.gz STMFQUCHTVTHFW-JYRVWZFOSA-N 0 0 349.864 5.242 50 30 EKEARN O=C(C=CNc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000000458609 563325199 /nfs/dbraw/zinc/32/51/99/563325199.db2.gz BMFDNUTZKKSGHS-CMDGGOBGSA-N 0 0 325.717 5.167 50 30 EKEARN C=C1C(=O)c2ccccc2C(=O)C1C=Cc1ccc(Cl)cc1Cl ZINC000000459116 209613580 /nfs/dbraw/zinc/61/35/80/209613580.db2.gz XJSRHYWFGVSXRN-VQHVLOKHSA-N 0 0 343.209 5.402 50 30 EKEARN O=C(C=CNc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1 ZINC000000460508 527598416 /nfs/dbraw/zinc/59/84/16/527598416.db2.gz HAKUWPRPBJVUSA-CCEZHUSRSA-N 0 0 333.362 5.427 50 30 EKEARN COc1cccc(Oc2ccc(NC3=CC(=O)CC(C)(C)C3)cc2)c1 ZINC000000464724 526242438 /nfs/dbraw/zinc/24/24/38/526242438.db2.gz SGHHMALZGGDYHX-UHFFFAOYSA-N 0 0 337.419 5.172 50 30 EKEARN COc1ccc(Oc2ccc(NC=CC(=O)C(C)(C)C)cc2)cc1 ZINC000000465155 524994191 /nfs/dbraw/zinc/99/41/91/524994191.db2.gz PTGSKJPUAMCNNG-BUHFOSPRSA-N 0 0 325.408 5.028 50 30 EKEARN N#Cc1nc(-c2ccccc2Cl)oc1NCc1ccc(Cl)cc1 ZINC000000467968 209619883 /nfs/dbraw/zinc/61/98/83/209619883.db2.gz URYAWRKZEIZFBR-UHFFFAOYSA-N 0 0 344.201 5.132 50 30 EKEARN COc1ccccc1Oc1ccc(NC=CC(=O)c2ccc(C)o2)cc1 ZINC000000468280 524697514 /nfs/dbraw/zinc/69/75/14/524697514.db2.gz KZPWELGYZKUCBV-BUHFOSPRSA-N 0 0 349.386 5.197 50 30 EKEARN CCOc1ccc(Nc2oc(-c3ccccc3Cl)nc2C#N)cc1 ZINC000000468530 564133273 /nfs/dbraw/zinc/13/32/73/564133273.db2.gz OJEOPNIUOBBBAJ-UHFFFAOYSA-N 0 0 339.782 5.009 50 30 EKEARN C=C(C)Cn1c(COc2cccc3ccccc32)nc2ccccc21 ZINC000000468601 518638317 /nfs/dbraw/zinc/63/83/17/518638317.db2.gz XIJHVBHAVYLOPD-UHFFFAOYSA-N 0 0 328.415 5.345 50 30 EKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC)n2)cc1 ZINC000000470922 564133279 /nfs/dbraw/zinc/13/32/79/564133279.db2.gz XLEXSKXSMCNCGX-UHFFFAOYSA-N 0 0 332.428 5.018 50 30 EKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000000471370 564074608 /nfs/dbraw/zinc/07/46/08/564074608.db2.gz DYWXTPHCJBHQJU-INIZCTEOSA-N 0 0 334.463 5.116 50 30 EKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000000471372 564074586 /nfs/dbraw/zinc/07/45/86/564074586.db2.gz DYWXTPHCJBHQJU-MRXNPFEDSA-N 0 0 334.463 5.116 50 30 EKEARN O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccco1 ZINC000000472529 563332511 /nfs/dbraw/zinc/33/25/11/563332511.db2.gz TVCXFUBLNSBVJS-ONEGZZNKSA-N 0 0 349.230 5.126 50 30 EKEARN O=C(C=CNc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000000475306 564116716 /nfs/dbraw/zinc/11/67/16/564116716.db2.gz WLOKXTIPVLMKBY-BQYQJAHWSA-N 0 0 343.707 5.306 50 30 EKEARN C=C(C)CSc1nc2sc3c(c2c(N)n1)CC[C@H](C(C)(C)C)C3 ZINC000000477479 209626028 /nfs/dbraw/zinc/62/60/28/209626028.db2.gz GQFKDDOLBCDQIL-NSHDSACASA-N 0 0 347.553 5.093 50 30 EKEARN C=C(C)CSc1nc2sc3c(c2c(N)n1)CC[C@@H](C(C)(C)C)C3 ZINC000000477480 564074584 /nfs/dbraw/zinc/07/45/84/564074584.db2.gz GQFKDDOLBCDQIL-LLVKDONJSA-N 0 0 347.553 5.093 50 30 EKEARN CC1(C)CC(=O)C=C(Nc2ccc(Oc3ccccc3Cl)cc2)C1 ZINC000000479230 563335802 /nfs/dbraw/zinc/33/58/02/563335802.db2.gz ZAGDRXDHTIYXLF-UHFFFAOYSA-N 0 0 341.838 5.817 50 30 EKEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccc(Cl)cc1Cl)CC2 ZINC000000480597 563336503 /nfs/dbraw/zinc/33/65/03/563336503.db2.gz VLTCRRWZBODPMY-MDWZMJQESA-N 0 0 333.214 5.215 50 30 EKEARN O=C1c2cc(Cl)cc(Cl)c2O/C1=C\c1ccccc1Cl ZINC000000481248 563336472 /nfs/dbraw/zinc/33/64/72/563336472.db2.gz RKJPQXCIKCEOLZ-ACAGNQJTSA-N 0 0 325.578 5.263 50 30 EKEARN COc1ccccc1-c1cc(-c2cccs2)nc(SC)c1C#N ZINC000000481852 564133317 /nfs/dbraw/zinc/13/33/17/564133317.db2.gz CEPRJCQIQUBFCD-UHFFFAOYSA-N 0 0 338.457 5.079 50 30 EKEARN C/C(=N\c1sc2c(c1C#N)CC[C@H](C)C2)c1ccc(Cl)s1 ZINC000000483635 563337767 /nfs/dbraw/zinc/33/77/67/563337767.db2.gz QLSGFRJGWWXOSY-XHYWODOQSA-N 0 0 334.897 5.600 50 30 EKEARN C/C(=N\c1sc2c(c1C#N)CC[C@@H](C)C2)c1ccc(Cl)s1 ZINC000000483637 563337780 /nfs/dbraw/zinc/33/77/80/563337780.db2.gz QLSGFRJGWWXOSY-NMHTZJHHSA-N 0 0 334.897 5.600 50 30 EKEARN N#Cc1c(NC(=O)CCC2CCCCC2)sc2c1CCCCCC2 ZINC000000483682 564016847 /nfs/dbraw/zinc/01/68/47/564016847.db2.gz LKQXHPLSQQLROE-UHFFFAOYSA-N 0 0 344.524 5.578 50 30 EKEARN Clc1ccccc1/C=N/c1ccc2oc(-c3ccncc3)nc2c1 ZINC000000484834 563338447 /nfs/dbraw/zinc/33/84/47/563338447.db2.gz QISGBPRFLVRFBN-WSDLNYQXSA-N 0 0 333.778 5.294 50 30 EKEARN Clc1cccc(/C=N/c2ccc3oc(-c4ccncc4)nc3c2)c1 ZINC000000484837 563338416 /nfs/dbraw/zinc/33/84/16/563338416.db2.gz WFMQCBFLUGNYHH-WSDLNYQXSA-N 0 0 333.778 5.294 50 30 EKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C(C)(C)C)sc2C1 ZINC000000485047 564016929 /nfs/dbraw/zinc/01/69/29/564016929.db2.gz IXBBUWGNUHTEJP-LBPRGKRZSA-N 0 0 332.513 5.145 50 30 EKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(C)(C)C)sc2C1 ZINC000000485048 564016989 /nfs/dbraw/zinc/01/69/89/564016989.db2.gz IXBBUWGNUHTEJP-GFCCVEGCSA-N 0 0 332.513 5.145 50 30 EKEARN Cc1ccc2c(c1)/C(=N/C1CCCCC1)c1nc3ccccc3nc1-2 ZINC000000492785 564017654 /nfs/dbraw/zinc/01/76/54/564017654.db2.gz NQJYBXZPOKTFOO-LNVKXUELSA-N 0 0 327.431 5.089 50 30 EKEARN O=C1CCCC2=C1c1c(ccc3ccccc31)N[C@@H]2c1ccc(O)cc1 ZINC000000494272 564017857 /nfs/dbraw/zinc/01/78/57/564017857.db2.gz HUKSSDIKLBOAHH-HSZRJFAPSA-N 0 0 341.410 5.219 50 30 EKEARN O=C1CCCC2=C1c1c(ccc3ccccc31)N[C@H]2c1ccc(O)cc1 ZINC000000494273 564017826 /nfs/dbraw/zinc/01/78/26/564017826.db2.gz HUKSSDIKLBOAHH-QHCPKHFHSA-N 0 0 341.410 5.219 50 30 EKEARN Brc1ccc(/C=N/c2ccc3[nH]c4ccccc4c3c2)cc1 ZINC000000494648 564017880 /nfs/dbraw/zinc/01/78/80/564017880.db2.gz CXDFVUWWRYSMAA-CIAFOILYSA-N 0 0 349.231 5.834 50 30 EKEARN Oc1ccc(Br)cc1/C=N/c1ccc2ccccc2c1 ZINC000000494700 563338421 /nfs/dbraw/zinc/33/84/21/563338421.db2.gz QBSTXVZMVSVYLF-YBFXNURJSA-N 0 0 326.193 5.059 50 30 EKEARN FC(F)(F)C/N=C(\Sc1ccc(Cl)cc1)c1ccccc1 ZINC000000495287 209635689 /nfs/dbraw/zinc/63/56/89/209635689.db2.gz OSFYLHUQTMPYGI-ZHZULCJRSA-N 0 0 329.774 5.441 50 30 EKEARN Cc1ccc(/C=C2/CCCC/C(=C/c3ccc(C)s3)C2=O)s1 ZINC000000495692 564017966 /nfs/dbraw/zinc/01/79/66/564017966.db2.gz GMBVAKVEMCLLIG-NFLUSIDLSA-N 0 0 328.502 6.037 50 30 EKEARN N#Cc1c(C(F)(F)F)cc(C(F)(F)F)nc1Sc1ccccc1 ZINC000000495775 209634739 /nfs/dbraw/zinc/63/47/39/209634739.db2.gz YXAUBOQCUOODRV-UHFFFAOYSA-N 0 0 348.271 5.142 50 30 EKEARN CC(C)(C)[C@H]1CCc2c([nH]c(=S)c(C#N)c2-c2cccs2)C1 ZINC000000495804 564017986 /nfs/dbraw/zinc/01/79/86/564017986.db2.gz HAYFFPKYRICYAU-NSHDSACASA-N 0 0 328.506 5.495 50 30 EKEARN CC(C)(C)[C@@H]1CCc2c([nH]c(=S)c(C#N)c2-c2cccs2)C1 ZINC000000495805 564017992 /nfs/dbraw/zinc/01/79/92/564017992.db2.gz HAYFFPKYRICYAU-LLVKDONJSA-N 0 0 328.506 5.495 50 30 EKEARN C=CCn1c2ccccc2n2cc(-c3ccc(-c4ccccc4)cc3)nc21 ZINC000000499602 209636310 /nfs/dbraw/zinc/63/63/10/209636310.db2.gz YGJCDDKFBRKRDU-UHFFFAOYSA-N 0 0 349.437 5.809 50 30 EKEARN Clc1ccc(/N=C/c2ccc(Br)cc2)cc1Cl ZINC000000501415 564019028 /nfs/dbraw/zinc/01/90/28/564019028.db2.gz SZQDKHCTKBHOIS-CAOOACKPSA-N 0 0 329.024 5.507 50 30 EKEARN Clc1ccc(/C=N/c2ccc(-c3cn4ccccc4n3)cc2)cc1 ZINC000000502142 564019098 /nfs/dbraw/zinc/01/90/98/564019098.db2.gz YZLJWXAXLBUFBM-LPYMAVHISA-N 0 0 331.806 5.405 50 30 EKEARN N#Cc1c(/N=C/c2cccnc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000000502593 564019125 /nfs/dbraw/zinc/01/91/25/564019125.db2.gz CXMXEQWYRDMYFQ-WGOQTCKBSA-N 0 0 349.393 5.631 50 30 EKEARN Clc1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000000502613 564019105 /nfs/dbraw/zinc/01/91/05/564019105.db2.gz QWQGCGZYKPPYHC-LPYMAVHISA-N 0 0 331.806 5.634 50 30 EKEARN Oc1ccc2ccccc2c1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000000502787 564076004 /nfs/dbraw/zinc/07/60/04/564076004.db2.gz HPHAMBOJMRZCFU-LFVJCYFKSA-N 0 0 339.394 6.088 50 30 EKEARN Oc1ccc2oc3c(c2c1/C=N/c1ccc(Cl)cc1)CCCC3 ZINC000000503530 564019184 /nfs/dbraw/zinc/01/91/84/564019184.db2.gz RKSOWVJUHDVBCS-SRZZPIQSSA-N 0 0 325.795 5.421 50 30 EKEARN Cc1ccn2cc(-c3cccc(/N=C/c4ccc(Cl)cc4)c3)nc2c1 ZINC000000503621 564019193 /nfs/dbraw/zinc/01/91/93/564019193.db2.gz HWFMVFSRZDYHMA-YDZHTSKRSA-N 0 0 345.833 5.714 50 30 EKEARN CC(=O)Oc1ccccc1/N=C/c1sc2ccccc2c1Cl ZINC000000503668 564019225 /nfs/dbraw/zinc/01/92/25/564019225.db2.gz VOQDHKZYSOAHGJ-VXLYETTFSA-N 0 0 329.808 5.231 50 30 EKEARN CC(C)n1c2ccccc2nc1/N=C/c1c(O)ccc2ccccc21 ZINC000000505482 564019445 /nfs/dbraw/zinc/01/94/45/564019445.db2.gz MSGSKBKGZCUORG-LPYMAVHISA-N 0 0 329.403 5.227 50 30 EKEARN Cc1ccccc1Nc1oc2ccccc2c1/N=C/c1ccccc1O ZINC000000506401 564019522 /nfs/dbraw/zinc/01/95/22/564019522.db2.gz ZJCKABIGUBWBDC-OEAKJJBVSA-N 0 0 342.398 5.941 50 30 EKEARN Oc1ccc2oc3c(c2c1/C=N/c1cccc2ccccc21)CCCC3 ZINC000000506460 564019501 /nfs/dbraw/zinc/01/95/01/564019501.db2.gz OLNFCTSMACTZMP-ZVHZXABRSA-N 0 0 341.410 5.921 50 30 EKEARN O=C(C=CNc1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000000508209 564019762 /nfs/dbraw/zinc/01/97/62/564019762.db2.gz GEPCXTSGARUNCI-MDZDMXLPSA-N 0 0 325.717 5.167 50 30 EKEARN CC(C)CSc1nc(-c2cccs2)c2c(c1C#N)CCCC2 ZINC000000508334 564019767 /nfs/dbraw/zinc/01/97/67/564019767.db2.gz XWFWHBCHQBBWTR-UHFFFAOYSA-N 0 0 328.506 5.309 50 30 EKEARN C=C(C)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000000519640 209643160 /nfs/dbraw/zinc/64/31/60/209643160.db2.gz OEDYAAXTQVVBDW-UHFFFAOYSA-N 0 0 326.779 5.068 50 30 EKEARN N#Cc1ccc(Oc2nc(-c3ccccc3F)nc3ccccc32)cc1 ZINC000000520315 564020977 /nfs/dbraw/zinc/02/09/77/564020977.db2.gz FNIBEKLHWWIWLG-UHFFFAOYSA-N 0 0 341.345 5.100 50 30 EKEARN C=C(C)COc1ccc2c(c1)oc(C)c(-c1ccc(Cl)cc1)c2=O ZINC000000521259 209645437 /nfs/dbraw/zinc/64/54/37/209645437.db2.gz LIFAHZABAYDYTE-UHFFFAOYSA-N 0 0 340.806 5.377 50 30 EKEARN Clc1sc(/C=N/c2ccc3ccccc3c2)c(Cl)c1Cl ZINC000000522764 209646025 /nfs/dbraw/zinc/64/60/25/209646025.db2.gz GZVRPBMDGJIHOO-UFWORHAWSA-N 0 0 340.662 6.612 50 30 EKEARN COc1ccc(/C=N/c2ccc3c(c2)ncn3C2CCCCC2)cc1 ZINC000000523290 564021157 /nfs/dbraw/zinc/02/11/57/564021157.db2.gz FLIZJZDSDJOCDF-HYARGMPZSA-N 0 0 333.435 5.301 50 30 EKEARN COc1cccc(/C=N/c2ccc(/N=C/c3cccc(OC)c3)cc2)c1 ZINC000000524182 563341131 /nfs/dbraw/zinc/34/11/31/563341131.db2.gz XDQOWALYIQMUOP-DFEHQXHXSA-N 0 0 344.414 5.205 50 30 EKEARN N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000000524415 209646450 /nfs/dbraw/zinc/64/64/50/209646450.db2.gz CTRXNIUTMFXQHN-UHFFFAOYSA-N 0 0 349.393 5.026 50 30 EKEARN Cc1ccc([N+](=O)[O-])cc1/N=C/c1c2ccccc2cc2ccccc12 ZINC000000524578 564076002 /nfs/dbraw/zinc/07/60/02/564076002.db2.gz FKICJRHGUXLTBD-OEAKJJBVSA-N 0 0 340.382 5.960 50 30 EKEARN CN(C)c1ccc(/C=N/c2ccc3c(c2)ncn3C2CCCCC2)cc1 ZINC000000528786 564021361 /nfs/dbraw/zinc/02/13/61/564021361.db2.gz GLMNLHMJOXVWGL-HZHRSRAPSA-N 0 0 346.478 5.358 50 30 EKEARN C=CCn1c(SCc2cccc3ccccc32)nnc1-c1ccco1 ZINC000000531831 519243844 /nfs/dbraw/zinc/24/38/44/519243844.db2.gz IZSKYADJNOEACP-UHFFFAOYSA-N 0 0 347.443 5.170 50 30 EKEARN C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1cccs1 ZINC000000532178 519241431 /nfs/dbraw/zinc/24/14/31/519241431.db2.gz YADDHXHFBAKIHI-UHFFFAOYSA-N 0 0 347.896 5.138 50 30 EKEARN C=CCn1c(SCc2ccccc2)nnc1-c1cc2ccccc2o1 ZINC000000532463 519244143 /nfs/dbraw/zinc/24/41/43/519244143.db2.gz JCVAXOWYMFAEIH-UHFFFAOYSA-N 0 0 347.443 5.170 50 30 EKEARN C[C@H](Nc1oc(-c2cccc3ccccc32)nc1C#N)c1ccccc1 ZINC000000533693 564021993 /nfs/dbraw/zinc/02/19/93/564021993.db2.gz KTPDHUULAINYQD-HNNXBMFYSA-N 0 0 339.398 5.540 50 30 EKEARN C[C@@H](Nc1oc(-c2cccc3ccccc32)nc1C#N)c1ccccc1 ZINC000000533694 564021986 /nfs/dbraw/zinc/02/19/86/564021986.db2.gz KTPDHUULAINYQD-OAHLLOKOSA-N 0 0 339.398 5.540 50 30 EKEARN Cc1nc2cc(/N=C/c3cccs3)ccc2n1Cc1ccccc1 ZINC000000535341 564022101 /nfs/dbraw/zinc/02/21/01/564022101.db2.gz FIODOGRTKJYQAS-FYJGNVAPSA-N 0 0 331.444 5.205 50 30 EKEARN N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1ccc(Cl)cc1 ZINC000000535855 564022093 /nfs/dbraw/zinc/02/20/93/564022093.db2.gz PMVQUEKITBLBQR-UHFFFAOYSA-N 0 0 344.201 5.132 50 30 EKEARN C=CCn1c(-c2ccc(C(C)(C)C)cc2)nc2nc3ccccc3nc21 ZINC000000536792 564022202 /nfs/dbraw/zinc/02/22/02/564022202.db2.gz WFEGQVNWSZCAEY-UHFFFAOYSA-N 0 0 342.446 5.130 50 30 EKEARN C=C(C)COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000000537530 209655033 /nfs/dbraw/zinc/65/50/33/209655033.db2.gz ZEIRAVQTJLSQIQ-UHFFFAOYSA-N 0 0 326.779 5.068 50 30 EKEARN Cc1ccc2[nH]c3c(c2c1)SC(C)(C)C/C3=N\N=C\c1ccccc1 ZINC000000537711 201484953 /nfs/dbraw/zinc/48/49/53/201484953.db2.gz WDSXXDPBOXDAHL-LLHJEQANSA-N 0 0 347.487 5.574 50 30 EKEARN CC(C)=CCOc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O ZINC000000540481 209656999 /nfs/dbraw/zinc/65/69/99/209656999.db2.gz DEXCYDLSFLLKJH-BOPFTXTBSA-N 0 0 326.417 5.018 50 30 EKEARN Cc1ccc(CNc2oc(-c3cccc4ccccc43)nc2C#N)cc1 ZINC000000541678 564022509 /nfs/dbraw/zinc/02/25/09/564022509.db2.gz KACHDNANBIAMKU-UHFFFAOYSA-N 0 0 339.398 5.287 50 30 EKEARN C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NC1CCCCC1 ZINC000000541932 209656890 /nfs/dbraw/zinc/65/68/90/209656890.db2.gz NPAHKEQYSHECNT-UHFFFAOYSA-N 0 0 344.462 5.141 50 30 EKEARN N#Cc1nc(-c2cccc3ccccc32)oc1NCc1ccc(F)cc1 ZINC000000542775 564022440 /nfs/dbraw/zinc/02/24/40/564022440.db2.gz LFCMFEPTRDWARZ-UHFFFAOYSA-N 0 0 343.361 5.118 50 30 EKEARN N#Cc1nc(-c2cccc3ccccc32)oc1NCCc1ccccc1 ZINC000000544380 564022630 /nfs/dbraw/zinc/02/26/30/564022630.db2.gz DMZHUZQJEJSATH-UHFFFAOYSA-N 0 0 339.398 5.021 50 30 EKEARN CC(C)c1cc(NCc2ccccc2)n2c3ccccc3nc2c1C#N ZINC000000544598 564133408 /nfs/dbraw/zinc/13/34/08/564133408.db2.gz GPQRKBZSHDUNCF-UHFFFAOYSA-N 0 0 340.430 5.095 50 30 EKEARN N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1ccccc1Cl ZINC000000544649 564022631 /nfs/dbraw/zinc/02/26/31/564022631.db2.gz SAJFYPDVAHVGCS-UHFFFAOYSA-N 0 0 344.201 5.132 50 30 EKEARN CCOc1ccc(Nc2oc(-c3ccc(Cl)cc3)nc2C#N)cc1 ZINC000000544765 564022640 /nfs/dbraw/zinc/02/26/40/564022640.db2.gz FEQNWINUVOBUMS-UHFFFAOYSA-N 0 0 339.782 5.009 50 30 aggregator EKEARN CCSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N ZINC000000545771 564133412 /nfs/dbraw/zinc/13/34/12/564133412.db2.gz ZNJWKWCEJCWANI-UHFFFAOYSA-N 0 0 328.487 5.522 50 30 EKEARN Cc1nc(SCc2ccc(Cl)cc2)c(C#N)c2c1CCCC2 ZINC000000545986 564022703 /nfs/dbraw/zinc/02/27/03/564022703.db2.gz YDLQJTUSJUBZHL-UHFFFAOYSA-N 0 0 328.868 5.086 50 30 EKEARN N#Cc1c(N)sc2c1C[C@H](c1ccccc1)S[C@@H]2c1ccccc1 ZINC000000547242 564133400 /nfs/dbraw/zinc/13/34/00/564133400.db2.gz FPQFWVGSAPTGBX-QZTJIDSGSA-N 0 0 348.496 5.322 50 30 EKEARN N#Cc1c(N)sc2c1C[C@@H](c1ccccc1)S[C@@H]2c1ccccc1 ZINC000000547243 564133411 /nfs/dbraw/zinc/13/34/11/564133411.db2.gz FPQFWVGSAPTGBX-ZWKOTPCHSA-N 0 0 348.496 5.322 50 30 EKEARN N#Cc1c(N)sc2c1C[C@H](c1ccccc1)S[C@H]2c1ccccc1 ZINC000000547244 564133409 /nfs/dbraw/zinc/13/34/09/564133409.db2.gz FPQFWVGSAPTGBX-MSOLQXFVSA-N 0 0 348.496 5.322 50 30 EKEARN N#Cc1c(N)sc2c1C[C@@H](c1ccccc1)S[C@H]2c1ccccc1 ZINC000000547245 564133416 /nfs/dbraw/zinc/13/34/16/564133416.db2.gz FPQFWVGSAPTGBX-ROUUACIJSA-N 0 0 348.496 5.322 50 30 EKEARN CCc1nc(SCc2ccccc2Cl)c(C#N)c2c1CCCC2 ZINC000000548787 564022906 /nfs/dbraw/zinc/02/29/06/564022906.db2.gz NYJMAWCVPJGDQA-UHFFFAOYSA-N 0 0 342.895 5.340 50 30 EKEARN Clc1sc(/C=N/c2cccc3ccccc32)c(Cl)c1Cl ZINC000000552037 564023000 /nfs/dbraw/zinc/02/30/00/564023000.db2.gz VCOMSXKTLZXXAI-UFWORHAWSA-N 0 0 340.662 6.612 50 30 EKEARN C=C(C)Cn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 ZINC000000552937 564023034 /nfs/dbraw/zinc/02/30/34/564023034.db2.gz PLDGLSCJEDFVIM-UHFFFAOYSA-N 0 0 334.463 5.489 50 30 EKEARN CC(C)(C)c1ccc(Oc2nc(C#N)cc(-c3ccccc3)n2)cc1 ZINC000000553629 209661165 /nfs/dbraw/zinc/66/11/65/209661165.db2.gz ACXVDMXLQAIYTQ-UHFFFAOYSA-N 0 0 329.403 5.105 50 30 EKEARN Cc1c(C#N)c2ccccc2n1CCOc1cccc2ccccc21 ZINC000000555372 564133390 /nfs/dbraw/zinc/13/33/90/564133390.db2.gz SJPSHDHOLVMMRF-UHFFFAOYSA-N 0 0 326.399 5.054 50 30 EKEARN Cc1c(C#N)c2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 ZINC000000555452 209662732 /nfs/dbraw/zinc/66/27/32/209662732.db2.gz CHOKQTZTZWNNQM-UHFFFAOYSA-N 0 0 332.447 5.198 50 30 EKEARN N#Cc1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000000558464 201486896 /nfs/dbraw/zinc/48/68/96/201486896.db2.gz MMCJAKBERBBBPN-UHFFFAOYSA-N 0 0 347.226 5.332 50 30 EKEARN N#Cc1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000558668 564133449 /nfs/dbraw/zinc/13/34/49/564133449.db2.gz FJNIOUQNIUDOGF-ZRDIBKRKSA-N 0 0 348.789 5.124 50 30 EKEARN Cc1cc(N2CCCC2)ccc1/C=N/c1cccc(Br)c1 ZINC000000558906 563346993 /nfs/dbraw/zinc/34/69/93/563346993.db2.gz ZEUVDDFLJXCSKE-DEDYPNTBSA-N 0 0 343.268 5.108 50 30 EKEARN N#Cc1ccc(Cn2cc(C(=O)C3CCCCC3)c3ccccc32)cc1 ZINC000000561031 209664106 /nfs/dbraw/zinc/66/41/06/209664106.db2.gz JQIUTKUWNRUSSK-UHFFFAOYSA-N 0 0 342.442 5.324 50 30 EKEARN N#Cc1ccc(-c2ccc(/C=N/c3ccc(-c4ccccc4)cc3)o2)cc1 ZINC000000561147 209664278 /nfs/dbraw/zinc/66/42/78/209664278.db2.gz JTBAYCGHSWIDBT-YZSQISJMSA-N 0 0 348.405 6.236 50 30 EKEARN Clc1ccc(/C=N/c2ccc(Br)cc2)c(Cl)c1 ZINC000000561292 564052393 /nfs/dbraw/zinc/05/23/93/564052393.db2.gz VMLIQUBRQZTNBD-CAOOACKPSA-N 0 0 329.024 5.507 50 30 EKEARN CC(C)c1ccc(/C=N/c2ccc(I)cc2)cc1 ZINC000000561308 563347440 /nfs/dbraw/zinc/34/74/40/563347440.db2.gz XXDYEMYMQRICOJ-WOJGMQOQSA-N 0 0 349.215 5.165 50 30 EKEARN C=CCn1c2ccccc2nc1[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000000561754 209664702 /nfs/dbraw/zinc/66/47/02/209664702.db2.gz HYTRNZORJHVOTC-INIZCTEOSA-N 0 0 342.442 5.536 50 30 EKEARN C=CCn1c2ccccc2nc1[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000000561755 564074602 /nfs/dbraw/zinc/07/46/02/564074602.db2.gz HYTRNZORJHVOTC-MRXNPFEDSA-N 0 0 342.442 5.536 50 30 EKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc4ccccc4c3)sc2C1 ZINC000000570351 564023707 /nfs/dbraw/zinc/02/37/07/564023707.db2.gz VFVWBOJOBFISTR-ZDUSSCGKSA-N 0 0 346.455 5.150 50 30 EKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc4ccccc4c3)sc2C1 ZINC000000570352 564023708 /nfs/dbraw/zinc/02/37/08/564023708.db2.gz VFVWBOJOBFISTR-CYBMUJFWSA-N 0 0 346.455 5.150 50 30 EKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CC(C)C)sc2C1 ZINC000000572758 564023921 /nfs/dbraw/zinc/02/39/21/564023921.db2.gz JNBAXDBVAHLUMJ-ZDUSSCGKSA-N 0 0 332.513 5.145 50 30 EKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CC(C)C)sc2C1 ZINC000000572759 564023914 /nfs/dbraw/zinc/02/39/14/564023914.db2.gz JNBAXDBVAHLUMJ-CYBMUJFWSA-N 0 0 332.513 5.145 50 30 EKEARN N#Cc1c(NC(=O)c2ccc3ccccc3c2)sc2c1CCCCC2 ZINC000000572764 564023909 /nfs/dbraw/zinc/02/39/09/564023909.db2.gz OAYIWHWHMSYTKG-UHFFFAOYSA-N 0 0 346.455 5.294 50 30 EKEARN COc1cccc(/C=N/c2cc(Cl)c(Cl)cc2Cl)c1O ZINC000000584382 564075991 /nfs/dbraw/zinc/07/59/91/564075991.db2.gz HRLCRELUQXMNAY-CNHKJKLMSA-N 0 0 330.598 5.112 50 30 EKEARN O=[N+]([O-])c1ccccc1/C=N/c1cc(Cl)c(Cl)cc1Cl ZINC000000584461 564075994 /nfs/dbraw/zinc/07/59/94/564075994.db2.gz WFJPKFOICUAXPB-REZTVBANSA-N 0 0 329.570 5.306 50 30 EKEARN O=C(C=CNc1ccc(Oc2ccccc2Cl)cc1)c1ccco1 ZINC000000608739 527598871 /nfs/dbraw/zinc/59/88/71/527598871.db2.gz NJHQTYOAJCZSOQ-VAWYXSNFSA-N 0 0 339.778 5.534 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccco1 ZINC000000608938 209673222 /nfs/dbraw/zinc/67/32/22/209673222.db2.gz OVGKGZDMNDHESM-QFIPXVFZSA-N 0 0 343.426 5.633 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccco1 ZINC000000608939 563352392 /nfs/dbraw/zinc/35/23/92/563352392.db2.gz OVGKGZDMNDHESM-JOCHJYFZSA-N 0 0 343.426 5.633 50 30 EKEARN CC(C)(C)c1ccc(-c2nc(C#N)c(NCc3ccccc3)o2)cc1 ZINC000000615083 564133488 /nfs/dbraw/zinc/13/34/88/564133488.db2.gz DPRFUZQDLYTOEG-UHFFFAOYSA-N 0 0 331.419 5.123 50 30 EKEARN O=C(Nc1cccc2ncccc21)C(c1ccccc1)c1ccccc1 ZINC000000615138 563357832 /nfs/dbraw/zinc/35/78/32/563357832.db2.gz XGPSUFRRRBCDBR-UHFFFAOYSA-N 0 0 338.410 5.655 50 30 EKEARN Cc1cccc2c3c([nH]c21)/C(=N\N=C\c1ccccc1)CC(C)(C)S3 ZINC000000730718 563362750 /nfs/dbraw/zinc/36/27/50/563362750.db2.gz RMUAZAKPAGKYJA-KXFZQYFNSA-N 0 0 347.487 5.574 50 30 EKEARN N#Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1Cl ZINC000000898056 564052649 /nfs/dbraw/zinc/05/26/49/564052649.db2.gz GBXSWPBIKSSKQU-UHFFFAOYSA-N 0 0 348.789 5.256 50 30 EKEARN CC(C)(C)C1=CC(=NOCc2ccccc2)C=C(C(C)(C)C)C1=O ZINC000000980063 563367105 /nfs/dbraw/zinc/36/71/05/563367105.db2.gz QEQOIDQNNXDLOB-UHFFFAOYSA-N 0 0 325.452 5.087 50 30 EKEARN CC(Cc1ccccc1)N=Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC000000983735 518475901 /nfs/dbraw/zinc/47/59/01/518475901.db2.gz BNOPCGBTASFHIV-UCQKPKSFSA-N 0 0 346.459 5.322 50 30 EKEARN Cn1c2ccccc2c2cc(/C=C3/CCc4ccccc4C3=O)ccc21 ZINC000000985698 564053860 /nfs/dbraw/zinc/05/38/60/564053860.db2.gz SNJLKRWHUXYTJF-JXAWBTAJSA-N 0 0 337.422 5.544 50 30 EKEARN Cc1ccc(N[C@@H](C#N)c2ccccc2OCc2ccccc2)cc1 ZINC000000987632 525308201 /nfs/dbraw/zinc/30/82/01/525308201.db2.gz NXJCNRBMBWLIRW-NRFANRHFSA-N 0 0 328.415 5.251 50 30 EKEARN Cc1ccc(N[C@H](C#N)c2ccccc2OCc2ccccc2)cc1 ZINC000000987633 525313905 /nfs/dbraw/zinc/31/39/05/525313905.db2.gz NXJCNRBMBWLIRW-OAQYLSRUSA-N 0 0 328.415 5.251 50 30 EKEARN CC(C)c1ccc([C@@]2(C(F)(F)F)Cc3c(cccc3C#N)O2)cc1 ZINC000000988165 564053875 /nfs/dbraw/zinc/05/38/75/564053875.db2.gz PRODKCKDVLBQPU-GOSISDBHSA-N 0 0 331.337 5.074 50 30 EKEARN CC(C)c1ccc([C@]2(C(F)(F)F)Cc3c(cccc3C#N)O2)cc1 ZINC000000988166 564053907 /nfs/dbraw/zinc/05/39/07/564053907.db2.gz PRODKCKDVLBQPU-SFHVURJKSA-N 0 0 331.337 5.074 50 30 EKEARN Cc1nn(-c2ccccc2)c(C)c1/N=C/c1ccc(Cl)cc1Cl ZINC000000993853 563367344 /nfs/dbraw/zinc/36/73/44/563367344.db2.gz UYLLAMRRYVCVFG-SRZZPIQSSA-N 0 0 344.245 5.547 50 30 EKEARN CCn1c2ccccc2c2cc(/C=N/c3cc(C)ccc3C)ccc21 ZINC000000994978 563367354 /nfs/dbraw/zinc/36/73/54/563367354.db2.gz YOHFHANGVKMRPL-BUVRLJJBSA-N 0 0 326.443 6.182 50 30 EKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccco3)sc2C1 ZINC000000998333 258048938 /nfs/dbraw/zinc/04/89/38/258048938.db2.gz DIEZAPPUKZHQSI-LBPRGKRZSA-N 0 0 342.464 5.006 50 30 EKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccco3)sc2C1 ZINC000000998334 258048959 /nfs/dbraw/zinc/04/89/59/258048959.db2.gz DIEZAPPUKZHQSI-GFCCVEGCSA-N 0 0 342.464 5.006 50 30 EKEARN COc1ccc(/N=C/c2cccc(-c3ccccc3)c2O)cc1Cl ZINC000001001719 563367752 /nfs/dbraw/zinc/36/77/52/563367752.db2.gz JIQDRYKYMUWMQA-LPYMAVHISA-N 0 0 337.806 5.472 50 30 EKEARN CCn1c2ccccc2c2cc(/C=N/c3cc(C)cc(C)c3)ccc21 ZINC000001001763 563367747 /nfs/dbraw/zinc/36/77/47/563367747.db2.gz LLSQTEWQQUOYDM-BUVRLJJBSA-N 0 0 326.443 6.182 50 30 EKEARN Cc1sc(NC(=O)c2cccc(C)c2)c(C#N)c1-c1ccccc1 ZINC000001001985 209698829 /nfs/dbraw/zinc/69/88/29/209698829.db2.gz CFHXXCRMMPDTPB-UHFFFAOYSA-N 0 0 332.428 5.156 50 30 aggregator EKEARN C=C1C(=O)c2ccccc2C(=O)C1C=CCC1=C(C)CCCC1(C)C ZINC000001010531 564054087 /nfs/dbraw/zinc/05/40/87/564054087.db2.gz DIAHBPBITDQZNB-KPKJPENVSA-N 0 0 334.459 5.855 50 30 EKEARN C=CCN1C(=O)S/C(=C\c2c3ccccc3cc3ccccc32)C1=O ZINC000001015284 564074659 /nfs/dbraw/zinc/07/46/59/564074659.db2.gz DAPZTLKETHWTFP-UYRXBGFRSA-N 0 0 345.423 5.215 50 30 EKEARN C=CC[C@]1(c2ccccc2)c2ccccc2N(c2ccccc2)C1=O ZINC000001016602 564074671 /nfs/dbraw/zinc/07/46/71/564074671.db2.gz LBIZGRTVIHMCLN-QHCPKHFHSA-N 0 0 325.411 5.227 50 30 EKEARN CSc1nc2c(c(-c3cccs3)c1C#N)CCc1ccccc1-2 ZINC000001017333 209701751 /nfs/dbraw/zinc/70/17/51/209701751.db2.gz FGGDTJVEZSKJEG-UHFFFAOYSA-N 0 0 334.469 5.169 50 30 EKEARN N#Cc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 ZINC000001017692 564054053 /nfs/dbraw/zinc/05/40/53/564054053.db2.gz AKZIBHBZJUMNBD-TVZGQMOCSA-N 0 0 341.241 5.692 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)SC(c1ccccc1)=C[C@@H]2c1ccccc1 ZINC000001020653 563368976 /nfs/dbraw/zinc/36/89/76/563368976.db2.gz QHPDJMDQOBGJLB-GOSISDBHSA-N 0 0 346.495 6.201 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)SC(c1ccccc1)=C[C@H]2c1ccccc1 ZINC000001020654 563369406 /nfs/dbraw/zinc/36/94/06/563369406.db2.gz QHPDJMDQOBGJLB-SFHVURJKSA-N 0 0 346.495 6.201 50 30 EKEARN O=C1CCCC2=C1[C@H](c1ccccc1)Nc1ccc3ccccc3c12 ZINC000001029437 564054180 /nfs/dbraw/zinc/05/41/80/564054180.db2.gz TVPQQTKQCDNICV-QHCPKHFHSA-N 0 0 325.411 5.513 50 30 EKEARN O=C1CCCC2=C1[C@@H](c1ccccc1)Nc1ccc3ccccc3c12 ZINC000001029439 564054197 /nfs/dbraw/zinc/05/41/97/564054197.db2.gz TVPQQTKQCDNICV-HSZRJFAPSA-N 0 0 325.411 5.513 50 30 EKEARN Clc1cccc(/C=N/c2ccc(Oc3cncc(Cl)c3)nc2)c1 ZINC000001031415 563369410 /nfs/dbraw/zinc/36/94/10/563369410.db2.gz ATZWPXVHFMFMGU-ODCIPOBUSA-N 0 0 344.201 5.326 50 30 EKEARN C=CCn1c(-c2cccs2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000001036603 209702557 /nfs/dbraw/zinc/70/25/57/209702557.db2.gz OMPDSKQSMJMIIK-UHFFFAOYSA-N 0 0 342.467 6.132 50 30 EKEARN O=C(CC(=C1Cc2ccccc2C1=O)c1ccccc1)c1ccccc1 ZINC000001041118 563369640 /nfs/dbraw/zinc/36/96/40/563369640.db2.gz SIZBGMKMHJBOOH-QURGRASLSA-N 0 0 338.406 5.152 50 30 EKEARN Cc1ccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1 ZINC000001042018 201497196 /nfs/dbraw/zinc/49/71/96/201497196.db2.gz DEBBLGGDMHHGMC-QFXGEWDLSA-N 0 0 326.395 5.395 50 30 EKEARN Cc1ccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccccc2)cc1 ZINC000001042020 563369676 /nfs/dbraw/zinc/36/96/76/563369676.db2.gz DEBBLGGDMHHGMC-FIWMFUAISA-N 0 0 326.395 5.395 50 30 EKEARN N#Cc1nc(-c2cccc(Cl)c2)oc1NCc1ccccc1Cl ZINC000001050013 209703199 /nfs/dbraw/zinc/70/31/99/209703199.db2.gz PJHGQUPMQVJOBM-UHFFFAOYSA-N 0 0 344.201 5.132 50 30 EKEARN CCOc1ccc(Nc2oc(-c3cccc(Cl)c3)nc2C#N)cc1 ZINC000001050021 564054224 /nfs/dbraw/zinc/05/42/24/564054224.db2.gz DCDPLUUUGJASDJ-UHFFFAOYSA-N 0 0 339.782 5.009 50 30 aggregator EKEARN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C#N)cc2)c1C ZINC000001093638 563374242 /nfs/dbraw/zinc/37/42/42/563374242.db2.gz KBFYFKDYVVHSAG-BUVRLJJBSA-N 0 0 327.431 5.279 50 30 EKEARN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(O)cc2)c1C ZINC000001096948 563374560 /nfs/dbraw/zinc/37/45/60/563374560.db2.gz JDSDCEKFHJTBLD-OEAKJJBVSA-N 0 0 332.447 5.421 50 30 EKEARN CCOC(=O)c1oc2ccc(/C=N/C3CCCCC3)c(Cl)c2c1C ZINC000001104735 563374420 /nfs/dbraw/zinc/37/44/20/563374420.db2.gz YLMHJBBTEPYSIN-SRZZPIQSSA-N 0 0 347.842 5.323 50 30 EKEARN Cc1ccc([C@H]2c3ccc4ccccc4c3NC3=C2C(=O)CCC3)cc1 ZINC000001165353 563376951 /nfs/dbraw/zinc/37/69/51/563376951.db2.gz XHUSCYCIYLFFBK-QFIPXVFZSA-N 0 0 339.438 5.713 50 30 EKEARN Cc1ccc([C@@H]2c3ccc4ccccc4c3NC3=C2C(=O)CCC3)cc1 ZINC000001165354 563376960 /nfs/dbraw/zinc/37/69/60/563376960.db2.gz XHUSCYCIYLFFBK-JOCHJYFZSA-N 0 0 339.438 5.713 50 30 EKEARN Cc1ccccc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 ZINC000001191917 563378363 /nfs/dbraw/zinc/37/83/63/563378363.db2.gz DTYKURDTIRYETR-DEOSSOPVSA-N 0 0 339.438 5.822 50 30 EKEARN Cc1ccccc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 ZINC000001191919 563378359 /nfs/dbraw/zinc/37/83/59/563378359.db2.gz DTYKURDTIRYETR-XMMPIXPASA-N 0 0 339.438 5.822 50 30 EKEARN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H]1CO1 ZINC000001192965 563378344 /nfs/dbraw/zinc/37/83/44/563378344.db2.gz PWTAWTBURRRIMD-FQEVSTJZSA-N 0 0 339.438 5.683 50 30 EKEARN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H]1CO1 ZINC000001192967 563378347 /nfs/dbraw/zinc/37/83/47/563378347.db2.gz PWTAWTBURRRIMD-HXUWFJFHSA-N 0 0 339.438 5.683 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)OC(c1ccccc1)=C[C@@H]2c1ccccc1 ZINC000001213682 563917825 /nfs/dbraw/zinc/91/78/25/563917825.db2.gz MXSDTCQTVYRNCZ-GOSISDBHSA-N 0 0 330.427 5.485 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)OC(c1ccccc1)=C[C@H]2c1ccccc1 ZINC000001213685 563917813 /nfs/dbraw/zinc/91/78/13/563917813.db2.gz MXSDTCQTVYRNCZ-SFHVURJKSA-N 0 0 330.427 5.485 50 30 EKEARN CCOc1ccc(/C=C/C2=CC(=O)[C@@H](CCc3ccccc3)CC2)cc1 ZINC000001227494 563380406 /nfs/dbraw/zinc/38/04/06/563380406.db2.gz CZHBNSWWWKDMAY-UVIRAJKCSA-N 0 0 346.470 5.637 50 30 EKEARN CCOc1ccc(/C=C/C2=CC(=O)[C@H](CCc3ccccc3)CC2)cc1 ZINC000001227496 563380373 /nfs/dbraw/zinc/38/03/73/563380373.db2.gz CZHBNSWWWKDMAY-HYGBKTPJSA-N 0 0 346.470 5.637 50 30 EKEARN O=C1c2ccccc2C(=O)C1=Cc1c2ccccc2cc2ccccc21 ZINC000001228779 564117873 /nfs/dbraw/zinc/11/78/73/564117873.db2.gz ZUYDSJGRTZFYOT-UHFFFAOYSA-N 0 0 334.374 5.456 50 30 EKEARN C=C(C)[C@@H]1CC=C(CNc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000001229389 258017172 /nfs/dbraw/zinc/01/71/72/258017172.db2.gz IXCLVKWOKRTLDE-LJQANCHMSA-N 0 0 333.475 6.077 50 30 EKEARN C=C(C)[C@H]1CC=C(CNc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000001229390 258017135 /nfs/dbraw/zinc/01/71/35/258017135.db2.gz IXCLVKWOKRTLDE-IBGZPJMESA-N 0 0 333.475 6.077 50 30 EKEARN CN(C)c1ccc(C=Nc2ccc3[nH]c(-c4ccccc4)nc3c2)cc1 ZINC000001233472 563380602 /nfs/dbraw/zinc/38/06/02/563380602.db2.gz IOIUJDVHANFAQL-HZHRSRAPSA-N 0 0 340.430 5.047 50 30 EKEARN C=CCC(O)(CC=C)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 ZINC000001236413 564062238 /nfs/dbraw/zinc/06/22/38/564062238.db2.gz ZXVSKCDTMQKYMK-UHFFFAOYSA-N 0 0 341.454 5.755 50 30 EKEARN Cc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)cc1C ZINC000001256005 209720358 /nfs/dbraw/zinc/72/03/58/209720358.db2.gz RJEKOXXWDHFREW-UHFFFAOYSA-N 0 0 326.403 5.028 50 30 EKEARN Cc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)cc1Cl ZINC000001262031 564062775 /nfs/dbraw/zinc/06/27/75/564062775.db2.gz CWLKKLOLEONGGF-UHFFFAOYSA-N 0 0 346.821 5.373 50 30 EKEARN Cc1cc(C)cc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)c1 ZINC000001263718 564062806 /nfs/dbraw/zinc/06/28/06/564062806.db2.gz KHJIEUMLHRDSPE-UHFFFAOYSA-N 0 0 326.403 5.028 50 30 EKEARN Cc1cccc(Nc2ccc3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000001293658 564063035 /nfs/dbraw/zinc/06/30/35/564063035.db2.gz USOOWMIXLJMRBS-CJLVFECKSA-N 0 0 326.355 5.143 50 30 EKEARN C=C(C)Cn1c2ccccc2nc1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000001323249 201359180 /nfs/dbraw/zinc/35/91/80/201359180.db2.gz MJMZQOKCULCLKV-GOSISDBHSA-N 0 0 332.491 5.963 50 30 EKEARN C=C(C)Cn1c2ccccc2nc1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000001323250 564063175 /nfs/dbraw/zinc/06/31/75/564063175.db2.gz MJMZQOKCULCLKV-SFHVURJKSA-N 0 0 332.491 5.963 50 30 EKEARN N#Cc1sc2ccccc2c1OCc1c(Cl)cccc1Cl ZINC000001383213 563384650 /nfs/dbraw/zinc/38/46/50/563384650.db2.gz PNWIJWSFUGGISA-UHFFFAOYSA-N 0 0 334.227 5.659 50 30 EKEARN N#Cc1sc2ccccc2c1OCc1ccc(Cl)cc1Cl ZINC000001383226 564063935 /nfs/dbraw/zinc/06/39/35/564063935.db2.gz YMKOSLXJKJTAMX-UHFFFAOYSA-N 0 0 334.227 5.659 50 30 EKEARN C=CCn1c2cc(Cl)c(Cl)cc2nc1-c1cccnc1Cl ZINC000001383367 564064104 /nfs/dbraw/zinc/06/41/04/564064104.db2.gz DBUPLZIIISLAQG-UHFFFAOYSA-N 0 0 338.625 5.245 50 30 EKEARN Cc1ccc(/C=C2\C(=O)c3c(cccc3F)[C@H]2c2ccccc2)cc1 ZINC000001383459 563384632 /nfs/dbraw/zinc/38/46/32/563384632.db2.gz XMJKRHZJPFFTKC-LUDQZLGDSA-N 0 0 328.386 5.546 50 30 EKEARN N#C[C@H](c1cccc(Cl)c1)c1ncc(C(F)(F)F)cc1Cl ZINC000001385497 563385052 /nfs/dbraw/zinc/38/50/52/563385052.db2.gz CWMDLAZACAMVPN-LLVKDONJSA-N 0 0 331.124 5.063 50 30 EKEARN N#C[C@@H](c1cccc(Cl)c1)c1ncc(C(F)(F)F)cc1Cl ZINC000001385498 563385072 /nfs/dbraw/zinc/38/50/72/563385072.db2.gz CWMDLAZACAMVPN-NSHDSACASA-N 0 0 331.124 5.063 50 30 EKEARN CN(C)/C=C1\C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O ZINC000001386279 258049118 /nfs/dbraw/zinc/04/91/18/258049118.db2.gz CZLNUOUWSSNILK-SICOMBFOSA-N 0 0 346.257 5.157 50 30 EKEARN Cc1ccc(C(=O)Nc2cc(C#N)ccc2Sc2ccccc2)cc1 ZINC000001387493 564064004 /nfs/dbraw/zinc/06/40/04/564064004.db2.gz GATOMCDMBNWWFS-UHFFFAOYSA-N 0 0 344.439 5.270 50 30 EKEARN N#Cc1ccc(Sc2ccccc2)c(NC(=O)c2ccc(F)cc2)c1 ZINC000001387495 564063982 /nfs/dbraw/zinc/06/39/82/564063982.db2.gz UZJABMWPEVXCBX-UHFFFAOYSA-N 0 0 348.402 5.101 50 30 EKEARN COc1ccc(CSc2nc(-c3ccccc3)cc(C)c2C#N)cc1 ZINC000001387841 564064008 /nfs/dbraw/zinc/06/40/08/564064008.db2.gz UGTCPTYLKJPRPQ-UHFFFAOYSA-N 0 0 346.455 5.230 50 30 EKEARN Cc1cc(C(F)(F)F)c(C#N)c(Oc2cccc(C(F)(F)F)c2)n1 ZINC000001388780 564064349 /nfs/dbraw/zinc/06/43/49/564064349.db2.gz QHJUTPRVLVMEAE-UHFFFAOYSA-N 0 0 346.230 5.092 50 30 EKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1Oc1ccccc1 ZINC000001389555 564063960 /nfs/dbraw/zinc/06/39/60/564063960.db2.gz ZXWKJUDHQDFKJY-UHFFFAOYSA-N 0 0 340.304 5.431 50 30 EKEARN N#Cc1cc(-c2ccc(Cl)cc2)cnc1Oc1ccc(F)cc1F ZINC000001391861 564064531 /nfs/dbraw/zinc/06/45/31/564064531.db2.gz WCSGVEJGPDMGCE-UHFFFAOYSA-N 0 0 342.732 5.344 50 30 EKEARN COc1ccc(Oc2ncc(-c3ccc(Cl)cc3)cc2C#N)cc1 ZINC000001391866 564064517 /nfs/dbraw/zinc/06/45/17/564064517.db2.gz VUPPEFJMTBSIEP-UHFFFAOYSA-N 0 0 336.778 5.075 50 30 EKEARN N#Cc1cc(-c2ccc(Cl)cc2)cnc1Sc1ccc(F)cc1 ZINC000001391908 564064425 /nfs/dbraw/zinc/06/44/25/564064425.db2.gz ZKLAOHLFRPXKBS-UHFFFAOYSA-N 0 0 340.810 5.564 50 30 EKEARN COc1ccccc1Oc1ncc(-c2ccc(Cl)cc2)cc1C#N ZINC000001391912 564064420 /nfs/dbraw/zinc/06/44/20/564064420.db2.gz GIXMGIRSLJBZKO-UHFFFAOYSA-N 0 0 336.778 5.075 50 30 EKEARN N#Cc1ncc(C(F)(F)F)cc1Oc1cc(Cl)cc(Cl)c1 ZINC000001392196 564064560 /nfs/dbraw/zinc/06/45/60/564064560.db2.gz GNCNACBMZLABOJ-UHFFFAOYSA-N 0 0 333.096 5.071 50 30 EKEARN Cc1cc(C(F)(F)F)c(C#N)c(Sc2ccc(Cl)cc2)n1 ZINC000001393117 564064606 /nfs/dbraw/zinc/06/46/06/564064606.db2.gz CZNPNCGXLWWMJK-UHFFFAOYSA-N 0 0 328.746 5.085 50 30 EKEARN C/C(=N\OCc1ccc(C)cc1)c1sc2nc3ccccc3n2c1C ZINC000001394326 564064714 /nfs/dbraw/zinc/06/47/14/564064714.db2.gz SYGMOBBKYQKPSH-HYARGMPZSA-N 0 0 349.459 5.107 50 30 EKEARN N#C[C@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl ZINC000001397583 564064756 /nfs/dbraw/zinc/06/47/56/564064756.db2.gz KKEHTMAYPZWVAM-NSHDSACASA-N 0 0 338.621 5.527 50 30 EKEARN N#C[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl ZINC000001397584 564064762 /nfs/dbraw/zinc/06/47/62/564064762.db2.gz KKEHTMAYPZWVAM-LLVKDONJSA-N 0 0 338.621 5.527 50 30 EKEARN N#C[C@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000001397595 563386773 /nfs/dbraw/zinc/38/67/73/563386773.db2.gz SPUZUBYKUPGPAX-NSHDSACASA-N 0 0 338.621 5.527 50 30 EKEARN N#C[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000001397596 563386782 /nfs/dbraw/zinc/38/67/82/563386782.db2.gz SPUZUBYKUPGPAX-LLVKDONJSA-N 0 0 338.621 5.527 50 30 EKEARN N#C[C@H](CC(=O)c1ccc(Cl)cc1)c1c(Cl)cccc1Cl ZINC000001397611 563386735 /nfs/dbraw/zinc/38/67/35/563386735.db2.gz ULJSMZQJNOTIGI-NSHDSACASA-N 0 0 338.621 5.527 50 30 EKEARN N#C[C@@H](CC(=O)c1ccc(Cl)cc1)c1c(Cl)cccc1Cl ZINC000001397612 563386761 /nfs/dbraw/zinc/38/67/61/563386761.db2.gz ULJSMZQJNOTIGI-LLVKDONJSA-N 0 0 338.621 5.527 50 30 EKEARN N#C[C@H](CC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000001397683 563386730 /nfs/dbraw/zinc/38/67/30/563386730.db2.gz LYUMTAITXAMYOV-LBPRGKRZSA-N 0 0 338.621 5.527 50 30 EKEARN N#C[C@@H](CC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000001397684 563386718 /nfs/dbraw/zinc/38/67/18/563386718.db2.gz LYUMTAITXAMYOV-GFCCVEGCSA-N 0 0 338.621 5.527 50 30 EKEARN CCc1ccc([C@H](C#N)CC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000001397691 524041348 /nfs/dbraw/zinc/04/13/48/524041348.db2.gz VHKBWKSCSXHVSR-HNNXBMFYSA-N 0 0 332.230 5.436 50 30 EKEARN CCc1ccc([C@@H](C#N)CC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000001397692 524018859 /nfs/dbraw/zinc/01/88/59/524018859.db2.gz VHKBWKSCSXHVSR-OAHLLOKOSA-N 0 0 332.230 5.436 50 30 EKEARN Cc1ccc(-c2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1 ZINC000001398703 564064839 /nfs/dbraw/zinc/06/48/39/564064839.db2.gz GWLSGUQMUZZCES-UHFFFAOYSA-N 0 0 344.361 5.676 50 30 EKEARN COc1ccc(Oc2nccc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000001401947 209740285 /nfs/dbraw/zinc/74/02/85/209740285.db2.gz ASAPKOAUBBRXFH-UHFFFAOYSA-N 0 0 336.778 5.075 50 30 EKEARN CC(C)c1ccc(NC=C2CCc3c4ccccc4[nH]c3C2=O)cc1 ZINC000001402277 563387481 /nfs/dbraw/zinc/38/74/81/563387481.db2.gz IZHUDNGSOFWPTN-DTQAZKPQSA-N 0 0 330.431 5.416 50 30 EKEARN N#C[C@@H](c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000001403097 563387666 /nfs/dbraw/zinc/38/76/66/563387666.db2.gz QTMQDBLUJTVEAO-HXUWFJFHSA-N 0 0 349.792 5.366 50 30 EKEARN N#C[C@H](c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000001403098 563387757 /nfs/dbraw/zinc/38/77/57/563387757.db2.gz QTMQDBLUJTVEAO-FQEVSTJZSA-N 0 0 349.792 5.366 50 30 EKEARN O=C1c2ccsc2SC/C1=C\c1ccc(Cl)cc1Cl ZINC000001403622 563387630 /nfs/dbraw/zinc/38/76/30/563387630.db2.gz TZXQLPCAHPJSBS-WEVVVXLNSA-N 0 0 327.257 5.427 50 30 EKEARN O=C1c2ccsc2SC/C1=C\c1cccc(C(F)(F)F)c1 ZINC000001403626 563387685 /nfs/dbraw/zinc/38/76/85/563387685.db2.gz YSGFBHMWJRUKPY-UXBLZVDNSA-N 0 0 326.364 5.139 50 30 EKEARN Cc1cc(C)c(C#N)c(S[C@@H](C#N)c2ccc(Cl)cc2Cl)n1 ZINC000001404188 201507121 /nfs/dbraw/zinc/50/71/21/201507121.db2.gz IKHQIAMJGVBTDP-HNNXBMFYSA-N 0 0 348.258 5.234 50 30 EKEARN Cc1cc(C)c(C#N)c(S[C@H](C#N)c2ccc(Cl)cc2Cl)n1 ZINC000001404189 209741694 /nfs/dbraw/zinc/74/16/94/209741694.db2.gz IKHQIAMJGVBTDP-OAHLLOKOSA-N 0 0 348.258 5.234 50 30 EKEARN C/C(=N\OCc1ccccc1F)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000001405830 518471445 /nfs/dbraw/zinc/47/14/45/518471445.db2.gz FDRSCKXBTVRVSF-HWZSRVGFSA-N 0 0 325.427 5.645 50 30 EKEARN C/C(=N\OC(=O)c1cccs1)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000001405833 518470155 /nfs/dbraw/zinc/47/01/55/518470155.db2.gz PLDJQHRXNHLZTA-WLNXHHGHSA-N 0 0 327.449 5.208 50 30 EKEARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCC/C1=N\c1ccccc1 ZINC000001410383 564065523 /nfs/dbraw/zinc/06/55/23/564065523.db2.gz JSTHYUVTWOOPAB-CJLVFECKSA-N 0 0 347.340 5.063 50 30 EKEARN COC(=O)Nc1cc(Cl)c([C@@H](C#N)c2ccc(Cl)cc2)cc1C ZINC000001428429 563388854 /nfs/dbraw/zinc/38/88/54/563388854.db2.gz DMTPGOPCSSZNAJ-AWEZNQCLSA-N 0 0 349.217 5.136 50 30 EKEARN COC(=O)Nc1cc(Cl)c([C@H](C#N)c2ccc(Cl)cc2)cc1C ZINC000001428430 563388859 /nfs/dbraw/zinc/38/88/59/563388859.db2.gz DMTPGOPCSSZNAJ-CQSZACIVSA-N 0 0 349.217 5.136 50 30 EKEARN CCCc1oc(C#N)cc1CSc1ccnc2cc(Cl)ccc21 ZINC000001431682 564066915 /nfs/dbraw/zinc/06/69/15/564066915.db2.gz UVMHBGLDPQSMPI-UHFFFAOYSA-N 0 0 342.851 5.598 50 30 EKEARN Oc1c(F)cccc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 ZINC000001434407 564067161 /nfs/dbraw/zinc/06/71/61/564067161.db2.gz XSCXTZJNPVYZPM-WSDLNYQXSA-N 0 0 332.334 5.090 50 30 EKEARN Cc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 ZINC000001444197 563389558 /nfs/dbraw/zinc/38/95/58/563389558.db2.gz IXTKFANAWWVBFU-DEOSSOPVSA-N 0 0 339.438 5.822 50 30 EKEARN Cc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1 ZINC000001444198 563389547 /nfs/dbraw/zinc/38/95/47/563389547.db2.gz IXTKFANAWWVBFU-XMMPIXPASA-N 0 0 339.438 5.822 50 30 EKEARN Cc1cc(Nc2ccc(C(C)C)cc2)n2c3ccccc3nc2c1C#N ZINC000001455311 564072891 /nfs/dbraw/zinc/07/28/91/564072891.db2.gz QGNJXJSESOBLSI-UHFFFAOYSA-N 0 0 340.430 5.535 50 30 EKEARN O=C1/C(=C/c2ccco2)CC(c2ccccc2)C/C1=C/c1ccco1 ZINC000001465346 564002007 /nfs/dbraw/zinc/00/20/07/564002007.db2.gz NHMQLLNWBPNUOX-KPNKYRRCSA-N 0 0 330.383 5.486 50 30 EKEARN CC(C)c1cc(Nc2ccc(F)cc2)n2c3ccccc3nc2c1C#N ZINC000001467933 564073070 /nfs/dbraw/zinc/07/30/70/564073070.db2.gz JIBGULCXCZRLCI-UHFFFAOYSA-N 0 0 344.393 5.365 50 30 EKEARN C=CCn1c2ccccc2nc1COc1ccc2ccccc2c1Cl ZINC000001470603 564073604 /nfs/dbraw/zinc/07/36/04/564073604.db2.gz GUSDGYYOCRFGSS-UHFFFAOYSA-N 0 0 348.833 5.608 50 30 EKEARN C=C(C)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000001471281 564073586 /nfs/dbraw/zinc/07/35/86/564073586.db2.gz TYYYAWYDSFQELN-UHFFFAOYSA-N 0 0 328.415 5.345 50 30 EKEARN Cc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)c(C)c1 ZINC000001505125 564074711 /nfs/dbraw/zinc/07/47/11/564074711.db2.gz CXAHRUZGUZQFGK-UHFFFAOYSA-N 0 0 326.403 5.028 50 30 EKEARN Clc1ccccc1/C=N/c1cccc(-c2nc3ccccc3o2)c1 ZINC000001510941 564074957 /nfs/dbraw/zinc/07/49/57/564074957.db2.gz NLAHYQCWFXVMEX-LPYMAVHISA-N 0 0 332.790 5.899 50 30 EKEARN Clc1ccc(/C=N/N=C/c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000001606296 563973697 /nfs/dbraw/zinc/97/36/97/563973697.db2.gz YBSMZQHLLSYRAG-OKXCLTPOSA-N 0 0 346.044 5.753 50 30 EKEARN CCCCCCCc1cc(O)c2c(c1)oc(=O)c1c2C[C@@H](C)CC1 ZINC000001610648 563396429 /nfs/dbraw/zinc/39/64/29/563396429.db2.gz LAFXFMCHGBGBDD-AWEZNQCLSA-N 0 0 328.452 5.136 50 30 EKEARN C=C1CC2(C[C@@H](c3ccccc3C)O[C@H](c3ccccc3C)C2)OC1=O ZINC000001613097 209766651 /nfs/dbraw/zinc/76/66/51/209766651.db2.gz BLHJWESERKQLRX-SFTDATJTSA-N 0 0 348.442 5.138 50 30 EKEARN C=C1CC2(C[C@H](c3ccccc3C)O[C@@H](c3ccccc3C)C2)OC1=O ZINC000001613098 209766307 /nfs/dbraw/zinc/76/63/07/209766307.db2.gz BLHJWESERKQLRX-NHCUHLMSSA-N 0 0 348.442 5.138 50 30 EKEARN Cc1c(F)c(F)c(-c2c(F)c(F)c(C)c(F)c2F)c(F)c1F ZINC000001627063 563397874 /nfs/dbraw/zinc/39/78/74/563397874.db2.gz IMAVLXWSVGAOCU-UHFFFAOYSA-N 0 0 326.186 5.083 50 30 EKEARN O=C1/C(=C/C=C/c2ccccc2)CCC/C1=C\C=C\c1ccccc1 ZINC000001632443 564118941 /nfs/dbraw/zinc/11/89/41/564118941.db2.gz CTQRVSIAFMWYTR-JFAXGFAKSA-N 0 0 326.439 6.019 50 30 EKEARN CC(C)(C)C1=CC(=C2C=Cc3ccccc3O2)C=C(C(C)(C)C)C1=O ZINC000001657997 209776395 /nfs/dbraw/zinc/77/63/95/209776395.db2.gz JYHOJXQWJVKCCQ-UHFFFAOYSA-N 0 0 334.459 5.874 50 30 EKEARN Clc1ccc(/C=N/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000001661503 209777055 /nfs/dbraw/zinc/77/70/55/209777055.db2.gz VOXSRYYLVMOEEL-OKXCLTPOSA-N 0 0 346.044 5.753 50 30 EKEARN CC(C)(C)CC(C)(C)C1=CC(=O)C(C(C)(C)CC(C)(C)C)=CC1=O ZINC000001664791 564076054 /nfs/dbraw/zinc/07/60/54/564076054.db2.gz RLNQIORMPFHCHW-UHFFFAOYSA-N 0 0 332.528 5.916 50 30 EKEARN CCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1 ZINC000001681591 519983646 /nfs/dbraw/zinc/98/36/46/519983646.db2.gz CIGGUBXZFFSTTA-UHFFFAOYSA-N 0 0 326.480 6.666 50 30 EKEARN O=C1/C(=C/c2ccc(Cl)cc2)CCC/C1=C/c1ccc(Cl)cc1 ZINC000001685494 563403331 /nfs/dbraw/zinc/40/33/31/563403331.db2.gz MNFGLQYSNLSOHP-RFTYBOQRSA-N 0 0 343.253 6.213 50 30 EKEARN CCCCCCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1 ZINC000001692756 520043674 /nfs/dbraw/zinc/04/36/74/520043674.db2.gz FYIJLMACKSXAQD-LYBHJNIJSA-N 0 0 337.507 6.739 50 30 EKEARN CCCCCCCCCCCCc1cc2ccccc2c2ccccc12 ZINC000001698133 520015456 /nfs/dbraw/zinc/01/54/56/520015456.db2.gz QBNLPAPGLLSKBN-UHFFFAOYSA-N 0 0 346.558 8.456 50 30 EKEARN Fc1cccc(Cl)c1/C=N/N=C1c2ccccc2-c2ccccc21 ZINC000001710174 564082920 /nfs/dbraw/zinc/08/29/20/564082920.db2.gz GDDPFPHCLQALSU-FSJBWODESA-N 0 0 334.781 5.331 50 30 in-vitro EKEARN Oc1ccc2ccccc2c1/C=N/N=C1c2ccccc2-c2ccccc21 ZINC000001710187 209785257 /nfs/dbraw/zinc/78/52/57/209785257.db2.gz BOBDOSQGFIXBCS-MFKUBSTISA-N 0 0 348.405 5.397 50 30 EKEARN CCCCCCCCCCCCON1C(=O)c2ccccc2C1=O ZINC000001715694 520011407 /nfs/dbraw/zinc/01/14/07/520011407.db2.gz YDISALCTJDVWPD-UHFFFAOYSA-N 0 0 331.456 5.135 50 30 EKEARN C=CCc1cc(/C(CC)=C(\CC)c2ccc(O)c(CC=C)c2)ccc1O ZINC000001724723 519123040 /nfs/dbraw/zinc/12/30/40/519123040.db2.gz NUKHDOPGAIWQMC-QURGRASLSA-N 0 0 348.486 6.286 50 30 EKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1O ZINC000001738442 564084875 /nfs/dbraw/zinc/08/48/75/564084875.db2.gz KCUDSIGWLFXACW-UHFFFAOYSA-N 0 0 335.451 5.276 50 30 EKEARN CCCCCCCCCCCC(=O)Nc1ccc2ccccc2c1 ZINC000001741229 519984488 /nfs/dbraw/zinc/98/44/88/519984488.db2.gz BSBXMRAEBWMBTO-UHFFFAOYSA-N 0 0 325.496 6.699 50 30 EKEARN CCCCC1CCC(C(=O)c2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC000001758592 209789832 /nfs/dbraw/zinc/78/98/32/209789832.db2.gz KJJHBAQPJUVVCD-UHFFFAOYSA-N 0 0 345.486 6.405 50 30 EKEARN N#Cc1c(NCc2ccco2)sc2c1CCCCCCCCCC2 ZINC000001763493 564087327 /nfs/dbraw/zinc/08/73/27/564087327.db2.gz IUPIWDIRRBHULQ-UHFFFAOYSA-N 0 0 342.508 6.044 50 30 EKEARN CCCCCCCCCC(=O)Nc1cc(OC)cc2cccnc21 ZINC000001771554 519977049 /nfs/dbraw/zinc/97/70/49/519977049.db2.gz ZIMKZIQLUIZAOW-UHFFFAOYSA-N 0 0 328.456 5.323 50 30 EKEARN C=CCOc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O ZINC000001772372 209791434 /nfs/dbraw/zinc/79/14/34/209791434.db2.gz LXZHYTYMRMDINJ-UHFFFAOYSA-N 0 0 344.366 5.303 50 30 EKEARN Clc1ccccc1/C=N/c1cccc(-c2nc3ccccc3s2)c1 ZINC000001781135 209794122 /nfs/dbraw/zinc/79/41/22/209794122.db2.gz UXKLSSXVLNQHBX-LPYMAVHISA-N 0 0 348.858 6.367 50 30 EKEARN CCCCCCCn1c2ccccc2nc1NCc1ccccc1O ZINC000001789167 209794678 /nfs/dbraw/zinc/79/46/78/209794678.db2.gz FQDFQYVFOVBOBV-UHFFFAOYSA-N 0 0 337.467 5.324 50 30 EKEARN C=C(C)COc1ccc2c(C)c(CCCCCC)c(=O)oc2c1C ZINC000001806205 209795507 /nfs/dbraw/zinc/79/55/07/209795507.db2.gz GRVYJSMLPUOSRZ-UHFFFAOYSA-N 0 0 328.452 5.488 50 30 EKEARN C=C(C)COc1cc2oc(=O)c(CCCCCC)c(C)c2cc1Cl ZINC000001806210 564087791 /nfs/dbraw/zinc/08/77/91/564087791.db2.gz RCBXDYAQBRIVKA-UHFFFAOYSA-N 0 0 348.870 5.833 50 30 EKEARN Cc1cccc(CSc2nc(C)cc(-c3ccccc3)c2C#N)c1 ZINC000001806230 564087818 /nfs/dbraw/zinc/08/78/18/564087818.db2.gz FDEGDXOBXVGWQC-UHFFFAOYSA-N 0 0 330.456 5.529 50 30 EKEARN C=CCN(CC=C)c1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000001807515 564074753 /nfs/dbraw/zinc/07/47/53/564074753.db2.gz WNJPUMRGNSZJPJ-UHFFFAOYSA-N 0 0 335.838 5.129 50 30 EKEARN CC(=O)c1ccc(N=CC=C2C=C(c3ccccc3)OC(C)(C)O2)cc1 ZINC000001816161 564088685 /nfs/dbraw/zinc/08/86/85/564088685.db2.gz VCJDIAWNVFLILL-XWIPEQAGSA-N 0 0 347.414 5.299 50 30 EKEARN CCCCSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000001840803 564088787 /nfs/dbraw/zinc/08/87/87/564088787.db2.gz ZCDOPORFZFKMIC-UHFFFAOYSA-N 0 0 342.411 5.593 50 30 EKEARN CC1(C)C(C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C ZINC000001850461 520247164 /nfs/dbraw/zinc/24/71/64/520247164.db2.gz XQUXKZZNEFRCAW-SFHVURJKSA-N 0 0 349.430 5.269 50 30 in-vitro EKEARN CC1(C)C(C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C ZINC000001850463 520247724 /nfs/dbraw/zinc/24/77/24/520247724.db2.gz XQUXKZZNEFRCAW-GOSISDBHSA-N 0 0 349.430 5.269 50 30 in-vitro EKEARN O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1ccccc1 ZINC000001858623 563414502 /nfs/dbraw/zinc/41/45/02/563414502.db2.gz LICHPXBTCADKIW-LCYFTJDESA-N 0 0 349.242 5.725 50 30 EKEARN CCCCCCCCCOc1ccc(/C=N/c2ccc(C)cc2)cc1 ZINC000001874215 563415195 /nfs/dbraw/zinc/41/51/95/563415195.db2.gz FVQUWCQPENLSTL-LYBHJNIJSA-N 0 0 337.507 6.875 50 30 EKEARN CC(C)(C)c1cc(/C=N/n2cnc3ccccc32)cc(C(C)(C)C)c1O ZINC000001877001 564089000 /nfs/dbraw/zinc/08/90/00/564089000.db2.gz JMGGGEJOIJXYGK-ZMOGYAJESA-N 0 0 349.478 5.219 50 30 EKEARN N#Cc1c2c(sc1/N=C/c1cccc(Cl)c1Cl)CCCC2 ZINC000001878066 209802470 /nfs/dbraw/zinc/80/24/70/209802470.db2.gz ZVBGHRBWGMEPDJ-AWQFTUOYSA-N 0 0 335.259 5.556 50 30 EKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccccc4)cc3)sc2c1 ZINC000001882081 209802399 /nfs/dbraw/zinc/80/23/99/209802399.db2.gz HXCGOKYNYHQBNM-HYARGMPZSA-N 0 0 328.440 6.022 50 30 EKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccccc4F)cc3)sc2c1 ZINC000001883466 209801536 /nfs/dbraw/zinc/80/15/36/209801536.db2.gz WXFIHBGMNZYAIC-YDZHTSKRSA-N 0 0 346.430 6.161 50 30 EKEARN CCCCCCCCOc1ccc(/C(=N\O)c2ccccc2)cc1 ZINC000001884178 564089107 /nfs/dbraw/zinc/08/91/07/564089107.db2.gz UOMHGJWKFJFIMP-DQRAZIAOSA-N 0 0 325.452 5.653 50 30 EKEARN CCCCCCCCOc1ccc(/C(=N/O)c2ccc(C)cc2)cc1 ZINC000001884186 564089106 /nfs/dbraw/zinc/08/91/06/564089106.db2.gz XYNZTMYCGJAYIB-GHVJWSGMSA-N 0 0 339.479 5.961 50 30 EKEARN CCN(CC)c1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1 ZINC000001885718 564089145 /nfs/dbraw/zinc/08/91/45/564089145.db2.gz BYANVJKIKWPIDW-HKOYGPOVSA-N 0 0 328.459 5.950 50 30 EKEARN C=CCSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N ZINC000001893876 209804034 /nfs/dbraw/zinc/80/40/34/209804034.db2.gz AVNCKQRNNNACGF-UHFFFAOYSA-N 0 0 334.469 5.627 50 30 EKEARN C#CCSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N ZINC000001893883 564074754 /nfs/dbraw/zinc/07/47/54/564074754.db2.gz KNKGNOVUMUKBAH-UHFFFAOYSA-N 0 0 332.453 5.074 50 30 EKEARN C=C(C)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000001893890 564074760 /nfs/dbraw/zinc/07/47/60/564074760.db2.gz JZCOTAMHIZSQMY-UHFFFAOYSA-N 0 0 342.467 5.955 50 30 EKEARN CCCCCCCCCCN1c2cccc3cccc(c23)C1=S ZINC000001908447 520019218 /nfs/dbraw/zinc/01/92/18/520019218.db2.gz BICKGINUAZOSTJ-UHFFFAOYSA-N 0 0 325.521 6.476 50 30 EKEARN CCSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N ZINC000001914953 201521724 /nfs/dbraw/zinc/52/17/24/201521724.db2.gz HBRPMZORPAAYFL-UHFFFAOYSA-N 0 0 346.455 5.408 50 30 EKEARN CC(C)(C)c1cc(/N=C/c2ccc(F)cc2)c(O)c(C(C)(C)C)c1 ZINC000001923485 564090242 /nfs/dbraw/zinc/09/02/42/564090242.db2.gz HLOOVTMYBRRYOP-YDZHTSKRSA-N 0 0 327.443 5.877 50 30 EKEARN N#Cc1c2c(sc1/N=C/c1c(Cl)cccc1Cl)CCCC2 ZINC000001956281 209808268 /nfs/dbraw/zinc/80/82/68/209808268.db2.gz OHBRFMPVTIBIJY-AWQFTUOYSA-N 0 0 335.259 5.556 50 30 EKEARN O=C(Nc1ccc(Cl)cc1)ON=C1c2ccccc2-c2ccccc21 ZINC000001957209 564090364 /nfs/dbraw/zinc/09/03/64/564090364.db2.gz ZVFIFBQLYFDTRU-UHFFFAOYSA-N 0 0 348.789 5.322 50 30 EKEARN C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC)cc(CCCCC)cc1OC ZINC000002015694 564074786 /nfs/dbraw/zinc/07/47/86/564074786.db2.gz UYBGHBAVRNATET-VQTJNVASSA-N 0 0 342.523 6.453 50 30 in-vitro EKEARN CCCC1CCC(c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)CC1 ZINC000002022932 564091367 /nfs/dbraw/zinc/09/13/67/564091367.db2.gz OOACYHPBBJELLX-UHFFFAOYSA-N 0 0 347.458 5.851 50 30 EKEARN CCCCCCCOc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1 ZINC000002022966 520064876 /nfs/dbraw/zinc/06/48/76/520064876.db2.gz MMOCZLVMHDJCON-UHFFFAOYSA-N 0 0 340.419 5.068 50 30 EKEARN CCCCCCCc1ccc(C(=O)Oc2ccc(SC)cc2)cc1 ZINC000002023107 520070371 /nfs/dbraw/zinc/07/03/71/520070371.db2.gz WDVKVOWRWPQRRP-UHFFFAOYSA-N 0 0 342.504 6.141 50 30 EKEARN CCCCCCCc1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000002023197 563418304 /nfs/dbraw/zinc/41/83/04/563418304.db2.gz CYVBGGRJDCJROR-UHFFFAOYSA-N 0 0 345.486 6.605 50 30 EKEARN Brc1c(/C=C/C#Cc2ccccc2)ccc2ccccc12 ZINC000002023220 564074788 /nfs/dbraw/zinc/07/47/88/564074788.db2.gz DMFHLOSQYRQVDY-LFYBBSHMSA-N 0 0 333.228 5.667 50 30 EKEARN CCCCCCCc1cc(O)c2c(c1)oc(=O)c1c2C[C@H](C)CC1 ZINC000002023643 563418341 /nfs/dbraw/zinc/41/83/41/563418341.db2.gz LAFXFMCHGBGBDD-CQSZACIVSA-N 0 0 328.452 5.136 50 30 EKEARN CCCCCCCOC(=O)c1ccc(OC(=O)c2cccs2)cc1 ZINC000002024254 520062036 /nfs/dbraw/zinc/06/20/36/520062036.db2.gz XMRRPOFKSVGBID-UHFFFAOYSA-N 0 0 346.448 5.095 50 30 EKEARN N#Cc1ccc(SCc2ccccc2)cc1SCc1ccccc1 ZINC000002025425 564091361 /nfs/dbraw/zinc/09/13/61/564091361.db2.gz GMVQVQHIOKTPCX-UHFFFAOYSA-N 0 0 347.508 6.143 50 30 EKEARN CCCCCCCOc1ccc(C(=O)Oc2cncc(Cl)c2)cc1 ZINC000002027697 520064227 /nfs/dbraw/zinc/06/42/27/520064227.db2.gz MJNIXFRYIATXED-UHFFFAOYSA-N 0 0 347.842 5.303 50 30 EKEARN CCCCCCOc1ccc(Br)cc1/C=C/C(C)=O ZINC000002028805 563418704 /nfs/dbraw/zinc/41/87/04/563418704.db2.gz SUMRCILWOQTWLK-BQYQJAHWSA-N 0 0 325.246 5.010 50 30 EKEARN CCCCCCCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 ZINC000002030411 520070520 /nfs/dbraw/zinc/07/05/20/520070520.db2.gz YWUMXLLHVFYRHW-UHFFFAOYSA-N 0 0 330.855 6.072 50 30 EKEARN CCCCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)nc2)cc1 ZINC000002030435 564092756 /nfs/dbraw/zinc/09/27/56/564092756.db2.gz AOJIOUFMDYKZAS-UHFFFAOYSA-N 0 0 326.443 6.020 50 30 EKEARN CCCC#Cc1ccc(C#Cc2ccc(SCCCC)s2)cc1 ZINC000002049105 564074805 /nfs/dbraw/zinc/07/48/05/564074805.db2.gz NVDSCCQLXIUPKW-UHFFFAOYSA-N 0 0 338.541 6.192 50 30 EKEARN CCCC1CCC(CCc2ccc(-c3ccc(C#N)cc3F)cc2)CC1 ZINC000002049161 564093085 /nfs/dbraw/zinc/09/30/85/564093085.db2.gz BIKQDFMEIHOGCC-UHFFFAOYSA-N 0 0 349.493 6.903 50 30 EKEARN CCCCCCc1ccc(COc2ccc3cc(C#N)ccc3c2)cc1 ZINC000002049169 564093071 /nfs/dbraw/zinc/09/30/71/564093071.db2.gz RUEYCDIQIGKOCL-UHFFFAOYSA-N 0 0 343.470 6.413 50 30 EKEARN CCCCCCCCCCCCOc1ccc(C#N)c2ccccc12 ZINC000002049267 520011264 /nfs/dbraw/zinc/01/12/64/520011264.db2.gz PKDLPBUMTIJCAI-UHFFFAOYSA-N 0 0 337.507 7.011 50 30 EKEARN Cc1cc(O)c(/N=C/C=C/c2cccc(Br)c2)cc1C ZINC000002051927 563419714 /nfs/dbraw/zinc/41/97/14/563419714.db2.gz IPEYQCBOPCIYIV-LKIKGXGASA-N 0 0 330.225 5.187 50 30 EKEARN CCOc1ccc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)cc1 ZINC000002053725 135656319 /nfs/dbraw/zinc/65/63/19/135656319.db2.gz ZWVTVFRJAVRYLV-PXLXIMEGSA-N 0 0 342.870 5.480 50 30 EKEARN CCCCCCCc1ccc(-c2nc(Cc3ccccc3)no2)cc1 ZINC000002054788 563420116 /nfs/dbraw/zinc/42/01/16/563420116.db2.gz FKTCIDACAUQVMN-UHFFFAOYSA-N 0 0 334.463 5.840 50 30 EKEARN CCCCC1CCC(Cc2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC000002055005 209815416 /nfs/dbraw/zinc/81/54/16/209815416.db2.gz QPFQOLGVVWJEPX-UHFFFAOYSA-N 0 0 331.503 6.764 50 30 EKEARN CCCCCCCCc1nnc(NC(=O)CCc2ccccc2)s1 ZINC000002056652 563420192 /nfs/dbraw/zinc/42/01/92/563420192.db2.gz QRLCBWFKLVDYBN-UHFFFAOYSA-N 0 0 345.512 5.012 50 30 EKEARN CCCCCCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002057650 519978950 /nfs/dbraw/zinc/97/89/50/519978950.db2.gz BCLXIHFGTJFMOG-UHFFFAOYSA-N 0 0 330.299 6.463 50 30 EKEARN C#CCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000002061141 209816108 /nfs/dbraw/zinc/81/61/08/209816108.db2.gz VMXYJQOMYWOXTO-UHFFFAOYSA-N 0 0 326.424 5.013 50 30 EKEARN C=CCCCCCCCCC(=O)Nc1ccccc1Br ZINC000002061892 518699880 /nfs/dbraw/zinc/69/98/80/518699880.db2.gz CDCJCOVIZBJUSO-UHFFFAOYSA-N 0 0 338.289 5.694 50 30 EKEARN C=CCCCCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000002061907 518700620 /nfs/dbraw/zinc/70/06/20/518700620.db2.gz IGHUIJWDSXGKHX-UHFFFAOYSA-N 0 0 342.435 5.314 50 30 EKEARN CCCCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)nc1 ZINC000002066141 564093718 /nfs/dbraw/zinc/09/37/18/564093718.db2.gz WRHGRPCYXNZQHI-UHFFFAOYSA-N 0 0 326.443 6.020 50 30 EKEARN CCCCCCCNc1c2ccccc2nc2c1C(=O)CC(C)(C)C2 ZINC000002066264 563420787 /nfs/dbraw/zinc/42/07/87/563420787.db2.gz YUJBGCQKKLQSEG-UHFFFAOYSA-N 0 0 338.495 5.772 50 30 EKEARN CCCCCCCCCCCCc1ccc2[nH]c(=O)cc(C)c2c1 ZINC000002066651 520015564 /nfs/dbraw/zinc/01/55/64/520015564.db2.gz LLNFTQYKVWYBLL-UHFFFAOYSA-N 0 0 327.512 6.300 50 30 EKEARN CC(=O)Nc1ccc(/N=C/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000002067259 563420964 /nfs/dbraw/zinc/42/09/64/563420964.db2.gz IQDOQQVMDNAQIW-VXCFCLNRSA-N 0 0 333.218 5.368 50 30 EKEARN Cc1ccc2oc(-c3cccc(/N=C/c4cccc(Cl)c4)c3)nc2c1 ZINC000002067335 563420943 /nfs/dbraw/zinc/42/09/43/563420943.db2.gz GFZQRZQQIHKKRP-YDZHTSKRSA-N 0 0 346.817 6.207 50 30 EKEARN Clc1cccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000002067458 563420899 /nfs/dbraw/zinc/42/08/99/563420899.db2.gz SQAHURLNOBLJGN-LPYMAVHISA-N 0 0 348.858 6.367 50 30 EKEARN CCCCCCCc1ccc(-c2nnc(-c3ccccc3C)o2)cc1 ZINC000002071703 209818123 /nfs/dbraw/zinc/81/81/23/209818123.db2.gz KULUCSDPYFISPU-UHFFFAOYSA-N 0 0 334.463 6.225 50 30 EKEARN CCCCCCCOC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000002071725 520062002 /nfs/dbraw/zinc/06/20/02/520062002.db2.gz LIXWNKSFDOFRPP-UHFFFAOYSA-N 0 0 339.435 5.066 50 30 EKEARN CCCCCCCCCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000002072232 519977187 /nfs/dbraw/zinc/97/71/87/519977187.db2.gz WIQPCWIWXNWMDX-UHFFFAOYSA-N 0 0 332.513 5.578 50 30 EKEARN CCSc1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N ZINC000002074059 564116183 /nfs/dbraw/zinc/11/61/83/564116183.db2.gz FSWOUFXVCYTVLP-UHFFFAOYSA-N 0 0 330.456 5.708 50 30 EKEARN CCCCCCCCCOc1ccc(-c2ccc(C(C)=O)cc2)cc1 ZINC000002074790 520029518 /nfs/dbraw/zinc/02/95/18/520029518.db2.gz OUYMHQWTYQDKRA-UHFFFAOYSA-N 0 0 338.491 6.686 50 30 EKEARN O=C1/C(=C/c2ccccc2Cl)CCC/C1=C/c1ccccc1Cl ZINC000002074879 209816826 /nfs/dbraw/zinc/81/68/26/209816826.db2.gz QLOHWWSWUAXAGS-RFTYBOQRSA-N 0 0 343.253 6.213 50 30 EKEARN C(#Cc1ccccc1)/C=C/c1ccc2cccc(-c3ccccc3)c2c1 ZINC000002077636 564074795 /nfs/dbraw/zinc/07/47/95/564074795.db2.gz FPOOBBUMYYVNIY-MDWZMJQESA-N 0 0 330.430 6.572 50 30 EKEARN O=C1c2ccccc2S/C1=C/c1ccccc1OCc1ccccc1 ZINC000002080017 209817174 /nfs/dbraw/zinc/81/71/74/209817174.db2.gz HQWHFFQPQSQVLF-KGENOOAVSA-N 0 0 344.435 5.595 50 30 EKEARN O=C1c2ccccc2S/C1=C\c1ccccc1OCc1ccccc1 ZINC000002080018 563421736 /nfs/dbraw/zinc/42/17/36/563421736.db2.gz HQWHFFQPQSQVLF-STZFKDTASA-N 0 0 344.435 5.595 50 30 EKEARN CCCCCCCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000002081241 563422001 /nfs/dbraw/zinc/42/20/01/563422001.db2.gz CBSQLCKUONBUJQ-UHFFFAOYSA-N 0 0 347.440 5.017 50 30 EKEARN CCCCCCCCCC(=O)Nc1nc2ccc(OCC)cc2s1 ZINC000002086076 563421947 /nfs/dbraw/zinc/42/19/47/563421947.db2.gz DHYYQEITENLYFP-UHFFFAOYSA-N 0 0 348.512 5.774 50 30 EKEARN CCCCCCCCC(=O)Nc1ccc(Br)cc1F ZINC000002086285 519972573 /nfs/dbraw/zinc/97/25/73/519972573.db2.gz INCNPMXGOBUKKE-UHFFFAOYSA-N 0 0 330.241 5.277 50 30 EKEARN CCCCCCCCOc1ccc(C(=O)c2ccc(OC)cc2)cc1 ZINC000002088007 201524504 /nfs/dbraw/zinc/52/45/04/201524504.db2.gz MNLPIRKYWZRRGI-UHFFFAOYSA-N 0 0 340.463 5.666 50 30 EKEARN C=CCOc1c(Cl)cc(CNc2ccc(CC)cc2)cc1Cl ZINC000002093965 209818909 /nfs/dbraw/zinc/81/89/09/209818909.db2.gz UFIQLNIZUXKKGD-UHFFFAOYSA-N 0 0 336.262 5.733 50 30 EKEARN C=CCSc1nc2sc3c(c2c(SCC=C)n1)CCCC3 ZINC000002095385 209818628 /nfs/dbraw/zinc/81/86/28/209818628.db2.gz XXUAKNIHIVQTMR-UHFFFAOYSA-N 0 0 334.535 5.126 50 30 EKEARN CC(C)(C)c1ccc(C(=O)O/N=C/c2ccccc2C(F)(F)F)cc1 ZINC000002099944 519024409 /nfs/dbraw/zinc/02/44/09/519024409.db2.gz UOGNCCKCEIOHAS-FSJBWODESA-N 0 0 349.352 5.194 50 30 EKEARN CCCCCCCCCCCCc1c(O)[nH]c2ccccc2c1=O ZINC000002106537 520015919 /nfs/dbraw/zinc/01/59/19/520015919.db2.gz GMEZLMHSXCGUOB-UHFFFAOYSA-N 0 0 329.484 5.697 50 30 EKEARN CCN(CC)c1ccc(/C=N/c2ccc(OC(F)(F)F)cc2)cc1 ZINC000002131480 563423349 /nfs/dbraw/zinc/42/33/49/563423349.db2.gz GIGXGRPUVWFEGL-LPYMAVHISA-N 0 0 336.357 5.182 50 30 EKEARN Clc1cccc(/C=N/N=C/c2cccc(Cl)c2Cl)c1Cl ZINC000002131514 563423271 /nfs/dbraw/zinc/42/32/71/563423271.db2.gz IDIXLIMTRBUJFP-OKXCLTPOSA-N 0 0 346.044 5.753 50 30 EKEARN CCCCCCCCCCc1nc2c(o1)c1ccccc1[nH]c2=O ZINC000002132365 520027897 /nfs/dbraw/zinc/02/78/97/520027897.db2.gz VUPRNMRWZLBKGX-UHFFFAOYSA-N 0 0 326.440 5.353 50 30 EKEARN Clc1cccc(/C=N/c2ccc(Nc3ccccc3)cc2)c1Cl ZINC000002132877 563423280 /nfs/dbraw/zinc/42/32/80/563423280.db2.gz KQKKSZFTZRBKLN-LPYMAVHISA-N 0 0 341.241 6.488 50 30 EKEARN Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C)c(F)c3)cc2)cc1F ZINC000002133269 563423268 /nfs/dbraw/zinc/42/32/68/563423268.db2.gz MZTOBIGAEJNZRK-BKHCZYBLSA-N 0 0 348.396 6.083 50 30 EKEARN FC(F)(F)Oc1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1 ZINC000002133631 209822851 /nfs/dbraw/zinc/82/28/51/209822851.db2.gz MRTXIDMUDRIKFK-DNTJNYDQSA-N 0 0 334.124 5.643 50 30 EKEARN FC(F)(F)Oc1ccc(/N=C/c2cccc(Cl)c2Cl)cc1 ZINC000002133744 201525597 /nfs/dbraw/zinc/52/55/97/201525597.db2.gz IJQAVDJNEXLVSV-DNTJNYDQSA-N 0 0 334.124 5.643 50 30 EKEARN CCN(CC)c1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1 ZINC000002134384 520881269 /nfs/dbraw/zinc/88/12/69/520881269.db2.gz IYBXBQUJOXGFQL-HKOYGPOVSA-N 0 0 343.474 6.027 50 30 EKEARN N#CCSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N ZINC000002134503 563423321 /nfs/dbraw/zinc/42/33/21/563423321.db2.gz ADVQXMMPQZQHBW-UHFFFAOYSA-N 0 0 339.470 5.026 50 30 EKEARN Clc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)c(Cl)c1 ZINC000002135054 563423346 /nfs/dbraw/zinc/42/33/46/563423346.db2.gz ZXSBQDVGNPRYKB-LPYMAVHISA-N 0 0 342.225 6.536 50 30 EKEARN Cc1ccc(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)cc1C ZINC000002137994 563423812 /nfs/dbraw/zinc/42/38/12/563423812.db2.gz MQOLOXFCFVJJGY-UDWIEESQSA-N 0 0 332.424 5.893 50 30 EKEARN COc1cc(OC)c(/N=C/c2ccc(Cl)cc2Cl)cc1Cl ZINC000002143086 564076030 /nfs/dbraw/zinc/07/60/30/564076030.db2.gz ADVQOVJRVGHZGD-UFWORHAWSA-N 0 0 344.625 5.415 50 30 EKEARN Clc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)c(Cl)c1 ZINC000002143101 563423775 /nfs/dbraw/zinc/42/37/75/563423775.db2.gz PKAFCTOVYRNDDB-LPYMAVHISA-N 0 0 341.241 6.488 50 30 EKEARN COc1ccc2c(c1)CCC=C2C#CC1=CCCc2cc(OC)ccc21 ZINC000002143323 564076033 /nfs/dbraw/zinc/07/60/33/564076033.db2.gz YOWMCCXGGXJZPW-UHFFFAOYSA-N 0 0 342.438 5.067 50 30 EKEARN Oc1ccc2ccccc2c1/C=N/c1ccc(Nc2ccccc2)cc1 ZINC000002143397 564076051 /nfs/dbraw/zinc/07/60/51/564076051.db2.gz BUWQSIHIQCJZRU-LFVJCYFKSA-N 0 0 338.410 6.040 50 30 EKEARN N#CCCc1cccc(OCc2ccccc2)c1OCc1ccccc1 ZINC000002144850 526464887 /nfs/dbraw/zinc/46/48/87/526464887.db2.gz UUJBHBAEOKFBLQ-UHFFFAOYSA-N 0 0 343.426 5.301 50 30 EKEARN Clc1ccc(/C=N/c2ccc(Br)cc2)cc1Cl ZINC000002147506 564076057 /nfs/dbraw/zinc/07/60/57/564076057.db2.gz SHZIMKOOQZEZEO-CAOOACKPSA-N 0 0 329.024 5.507 50 30 EKEARN CCCCCCCCCCCC(=O)Nc1cc(Cl)ccc1O ZINC000002147698 519983269 /nfs/dbraw/zinc/98/32/69/519983269.db2.gz GQRPODLWAGLXQK-UHFFFAOYSA-N 0 0 325.880 5.905 50 30 EKEARN C#CCSc1nccc(-c2sc3ccc(Cl)cc3c2C)n1 ZINC000002150068 564074830 /nfs/dbraw/zinc/07/48/30/564074830.db2.gz HBKSPPWYCNDJRB-UHFFFAOYSA-N 0 0 330.865 5.045 50 30 EKEARN C=CCSc1nccc(-c2sc3ccc(Cl)cc3c2C)n1 ZINC000002150069 209825803 /nfs/dbraw/zinc/82/58/03/209825803.db2.gz YLLLJQSEWGSJGL-UHFFFAOYSA-N 0 0 332.881 5.598 50 30 EKEARN CCCCCCCCCCCc1nc2cc(Cl)ccc2c(=O)o1 ZINC000002154248 520016915 /nfs/dbraw/zinc/01/69/15/520016915.db2.gz JSSWMLWRDISSJX-UHFFFAOYSA-N 0 0 335.875 5.915 50 30 EKEARN C(#CC1C=C(c2cccs2)OC(c2cccs2)=C1)c1ccccc1 ZINC000002157584 564119568 /nfs/dbraw/zinc/11/95/68/564119568.db2.gz GDRIZPFVCWLJTM-UHFFFAOYSA-N 0 0 346.476 5.890 50 30 EKEARN CCC1=C(c2ccccc2)Oc2ccccc2[C@H]1C#Cc1ccccc1 ZINC000002157708 209825152 /nfs/dbraw/zinc/82/51/52/209825152.db2.gz VVYOPMIBVYFJPK-QFIPXVFZSA-N 0 0 336.434 6.036 50 30 EKEARN CCC1=C(c2ccccc2)Oc2ccccc2[C@@H]1C#Cc1ccccc1 ZINC000002157714 564074801 /nfs/dbraw/zinc/07/48/01/564074801.db2.gz VVYOPMIBVYFJPK-JOCHJYFZSA-N 0 0 336.434 6.036 50 30 EKEARN COc1ccccc1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000002157785 563424349 /nfs/dbraw/zinc/42/43/49/563424349.db2.gz ANMZUAWBOLNVOO-OEAKJJBVSA-N 0 0 339.479 5.746 50 30 EKEARN CCCCCCCc1ccc2c(c1)Cc1cc(Br)ccc1-2 ZINC000002159207 563424452 /nfs/dbraw/zinc/42/44/52/563424452.db2.gz GTLOHOVSFALLTP-UHFFFAOYSA-N 0 0 343.308 6.533 50 30 EKEARN N#CCCN(C(=O)c1sc2ccccc2c1Cl)C1CCCCC1 ZINC000002160508 563424806 /nfs/dbraw/zinc/42/48/06/563424806.db2.gz NIBGOYHSCONGHL-UHFFFAOYSA-N 0 0 346.883 5.243 50 30 EKEARN Cc1cc(OCC#CCOc2ccc(Cl)c(C)c2)ccc1Cl ZINC000002161730 564119041 /nfs/dbraw/zinc/11/90/41/564119041.db2.gz NZRWUWMGULXUPD-UHFFFAOYSA-N 0 0 335.230 5.071 50 30 EKEARN Cc1ccc(O)c(/N=C/c2ccc(/C=N/c3cc(C)ccc3O)cc2)c1 ZINC000002163640 564076077 /nfs/dbraw/zinc/07/60/77/564076077.db2.gz LEBWGKISEQBOOW-RNIAWFEPSA-N 0 0 344.414 5.216 50 30 EKEARN CCOc1ccc(/N=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000002163900 564076069 /nfs/dbraw/zinc/07/60/69/564076069.db2.gz NTYMUKJJUCRQRB-LFVJCYFKSA-N 0 0 325.411 6.142 50 30 EKEARN Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C)c(C)c3)cc2)cc1C ZINC000002165747 525968561 /nfs/dbraw/zinc/96/85/61/525968561.db2.gz KPXTYUVILZJSPQ-RYQLWAFASA-N 0 0 340.470 6.421 50 30 EKEARN CCc1ccc(/N=C/c2ccc(/C=N/c3ccc(CC)cc3)cc2)cc1 ZINC000002166467 523875425 /nfs/dbraw/zinc/87/54/25/523875425.db2.gz NVMZUVGRCNQYLM-RPCRKUJJSA-N 0 0 340.470 6.313 50 30 EKEARN COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000002167371 523454641 /nfs/dbraw/zinc/45/46/41/523454641.db2.gz KUQVWHVWJADJPX-PXLXIMEGSA-N 0 0 333.387 5.247 50 30 EKEARN CC(=O)Nc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000002167514 519709253 /nfs/dbraw/zinc/70/92/53/519709253.db2.gz SLRFFLXHQWZSJW-PXLXIMEGSA-N 0 0 330.387 5.188 50 30 EKEARN CCN(CC)c1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000002167589 520883242 /nfs/dbraw/zinc/88/32/42/520883242.db2.gz QDFDRRVKHZWMIW-HKOYGPOVSA-N 0 0 344.458 6.076 50 30 EKEARN CCc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2CC)cc1 ZINC000002170803 564076086 /nfs/dbraw/zinc/07/60/86/564076086.db2.gz VOHNGHQLMQGQAY-RPCRKUJJSA-N 0 0 340.470 6.313 50 30 EKEARN Cc1ccc(Cl)cc1/N=C/c1c2ccccc2cc2ccccc21 ZINC000002171164 563996448 /nfs/dbraw/zinc/99/64/48/563996448.db2.gz ISIGCXSLFFLISL-ZVHZXABRSA-N 0 0 329.830 6.705 50 30 EKEARN Cc1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1[N+](=O)[O-] ZINC000002171167 563996456 /nfs/dbraw/zinc/99/64/56/563996456.db2.gz AQSUUBZNBQYVKT-OEAKJJBVSA-N 0 0 340.382 5.960 50 30 EKEARN Cc1ccc(/N=C/c2c3ccccc3cc3ccccc32)cc1Cl ZINC000002171169 563996441 /nfs/dbraw/zinc/99/64/41/563996441.db2.gz PNRQIHLIMFEBAB-ZVHZXABRSA-N 0 0 329.830 6.705 50 30 EKEARN Cc1cc(Cl)ccc1/N=C/c1c2ccccc2cc2ccccc21 ZINC000002171175 564076064 /nfs/dbraw/zinc/07/60/64/564076064.db2.gz VZGODAAXHBABJU-ZVHZXABRSA-N 0 0 329.830 6.705 50 30 EKEARN COc1ccc(C)cc1/N=C/c1c2ccccc2cc2ccccc21 ZINC000002171191 564076081 /nfs/dbraw/zinc/07/60/81/564076081.db2.gz WYCAZDTUCVODFR-BUVRLJJBSA-N 0 0 325.411 6.061 50 30 EKEARN COc1ccc(/N=C/c2c3ccccc3cc3ccccc32)c(C)c1 ZINC000002171239 564076080 /nfs/dbraw/zinc/07/60/80/564076080.db2.gz WHNVENKDDUWTDZ-BUVRLJJBSA-N 0 0 325.411 6.061 50 30 EKEARN Cc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000002171344 257843383 /nfs/dbraw/zinc/84/33/83/257843383.db2.gz PITMKRJIXXGAFV-HYARGMPZSA-N 0 0 346.386 5.233 50 30 EKEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2cc(Cl)ccc2Cl)c1 ZINC000002171555 564076070 /nfs/dbraw/zinc/07/60/70/564076070.db2.gz ZLGKHXNGZVIYRI-REZTVBANSA-N 0 0 329.570 5.306 50 30 EKEARN CCCCCCCCCCN1c2ccccc2Sc2ccccc21 ZINC000002173457 564119015 /nfs/dbraw/zinc/11/90/15/564119015.db2.gz UXHRXLLMSTUGMV-UHFFFAOYSA-N 0 0 339.548 7.430 50 30 EKEARN CCCCCCCCCCCCSc1ccc2ncccc2c1N ZINC000002173541 258049358 /nfs/dbraw/zinc/04/93/58/258049358.db2.gz VADCJZDFWMRROH-UHFFFAOYSA-N 0 0 344.568 6.830 50 30 EKEARN CC(C)(C)c1ccc2c(c1)[C@@](O)(c1ccccc1)C=C(C(C)(C)C)C2=O ZINC000002173557 209827345 /nfs/dbraw/zinc/82/73/45/209827345.db2.gz KSTFQNSFBVZBOP-DEOSSOPVSA-N 0 0 348.486 5.389 50 30 EKEARN CC(C)(C)c1ccc2c(c1)[C@](O)(c1ccccc1)C=C(C(C)(C)C)C2=O ZINC000002173559 564119018 /nfs/dbraw/zinc/11/90/18/564119018.db2.gz KSTFQNSFBVZBOP-XMMPIXPASA-N 0 0 348.486 5.389 50 30 EKEARN CSC(=Nc1ccc(N=C(SC)SC)c(C)c1)SC ZINC000002179607 201526786 /nfs/dbraw/zinc/52/67/86/201526786.db2.gz STVYRTATTHCUCO-UHFFFAOYSA-N 0 0 330.569 5.422 50 30 EKEARN CCCCCCOc1cc(C#N)c(OCCCCCC)cc1C#N ZINC000002179655 564120632 /nfs/dbraw/zinc/12/06/32/564120632.db2.gz FQDAXJHACIALFQ-UHFFFAOYSA-N 0 0 328.456 5.348 50 30 EKEARN CCCCCCOc1cc(OCCCCCC)c(C#N)cc1C#N ZINC000002179669 564120667 /nfs/dbraw/zinc/12/06/67/564120667.db2.gz QYKUJUGHPIIWRQ-UHFFFAOYSA-N 0 0 328.456 5.348 50 30 EKEARN CCOc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)Cc1ccccc1-2 ZINC000002180786 209828171 /nfs/dbraw/zinc/82/81/71/209828171.db2.gz UTSFUHBURBJUGY-UHFFFAOYSA-N 0 0 346.817 5.244 50 30 EKEARN C=CCSc1ncnc2c1oc1nc(-c3ccccc3)cc(C)c12 ZINC000002180855 209827650 /nfs/dbraw/zinc/82/76/50/209827650.db2.gz ILZFURDDWPLZIV-UHFFFAOYSA-N 0 0 333.416 5.025 50 30 EKEARN CC(C)(C)c1ccc(C(C)(C)C)c(/N=C/c2ccc3ccccc3n2)c1 ZINC000002182772 563425853 /nfs/dbraw/zinc/42/58/53/563425853.db2.gz VHFWOEDBSNIQFW-PCLIKHOPSA-N 0 0 344.502 6.580 50 30 EKEARN CC(C)c1cccc(C(C)C)c1/N=C/c1ccccc1Br ZINC000002182792 563425922 /nfs/dbraw/zinc/42/59/22/563425922.db2.gz OVTVLKIRQZPENA-CIAFOILYSA-N 0 0 344.296 6.447 50 30 EKEARN CC(C)c1cccc(C(C)C)c1/N=C/c1c(O)ccc2ccccc21 ZINC000002182799 563425980 /nfs/dbraw/zinc/42/59/80/563425980.db2.gz XLFIHSZKMMOERQ-ZVHZXABRSA-N 0 0 331.459 6.543 50 30 EKEARN CCCCCCCCCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000002187704 258049675 /nfs/dbraw/zinc/04/96/75/258049675.db2.gz BBEACAPCDAZCON-UHFFFAOYSA-N 0 0 341.879 5.436 50 30 EKEARN C#CCSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N ZINC000002188634 564120693 /nfs/dbraw/zinc/12/06/93/564120693.db2.gz JOFVNEHXDSZJDC-UHFFFAOYSA-N 0 0 332.453 5.074 50 30 EKEARN C=C1N(CCCCCCCCCCCC)C(=O)OC12CCCCC2 ZINC000002189000 258049460 /nfs/dbraw/zinc/04/94/60/258049460.db2.gz ACDXFUCFCWNQSO-UHFFFAOYSA-N 0 0 335.532 6.576 50 30 EKEARN CCCCCCC/C=C(/Cl)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000002192067 209829466 /nfs/dbraw/zinc/82/94/66/209829466.db2.gz AFDQUKBFKJMMIA-NTCAYCPXSA-N 0 0 325.880 5.748 50 30 EKEARN CCCCCCCn1c2ccc(C)cc2c2nc3ccccc3nc21 ZINC000002202500 564120975 /nfs/dbraw/zinc/12/09/75/564120975.db2.gz YGXQPIPRAQNFLJ-UHFFFAOYSA-N 0 0 331.463 6.017 50 30 EKEARN CCCCCCCCn1c2ccc(C)cc2c2nc3ccccc3nc21 ZINC000002203827 517553423 /nfs/dbraw/zinc/55/34/23/517553423.db2.gz NTDQVFUOXMKLOL-UHFFFAOYSA-N 0 0 345.490 6.407 50 30 EKEARN N#Cc1c(F)c(F)c(Nc2c(Cl)cccc2Cl)c(F)c1F ZINC000002203905 564121088 /nfs/dbraw/zinc/12/10/88/564121088.db2.gz IOEBNSARWSBREY-UHFFFAOYSA-N 0 0 335.087 5.165 50 30 EKEARN Oc1ccccc1/C=N/c1nc2c(s1)CCCCCCCCCC2 ZINC000002213677 564122983 /nfs/dbraw/zinc/12/29/83/564122983.db2.gz NUSJOJFCLYSOBY-RCCKNPSSSA-N 0 0 342.508 5.819 50 30 EKEARN CCCCCCCSc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000002217520 258049501 /nfs/dbraw/zinc/04/95/01/258049501.db2.gz QRAGWPYKXUZVIZ-UHFFFAOYSA-N 0 0 335.542 5.215 50 30 EKEARN CCCCCCCCCOc1cccc(/C=N/c2ccccc2O)c1 ZINC000002227846 564124576 /nfs/dbraw/zinc/12/45/76/564124576.db2.gz HGFWAMZADFAXIR-PTGBLXJZSA-N 0 0 339.479 6.272 50 30 EKEARN CCCCCCCSc1nc2sc3c(c2c(N)n1)[C@H](C)CCC3 ZINC000002228226 258049522 /nfs/dbraw/zinc/04/95/22/258049522.db2.gz KYGCZRKUGJCQNC-GFCCVEGCSA-N 0 0 349.569 5.776 50 30 EKEARN CCCCCCCSc1nc2sc3c(c2c(N)n1)[C@@H](C)CCC3 ZINC000002228228 258049516 /nfs/dbraw/zinc/04/95/16/258049516.db2.gz KYGCZRKUGJCQNC-LBPRGKRZSA-N 0 0 349.569 5.776 50 30 EKEARN Cc1ccc([C@]2(CC/N=C/c3ccco3)CCO[C@@H](C(C)C)C2)cc1 ZINC000002250201 564125301 /nfs/dbraw/zinc/12/53/01/564125301.db2.gz FLNVWIKRXYKORZ-UOFXASEASA-N 0 0 339.479 5.170 50 30 EKEARN CCCCCCCCOc1ccc(/C=N/c2ccccc2O)cc1 ZINC000002250669 209834385 /nfs/dbraw/zinc/83/43/85/209834385.db2.gz LKRSQJHSXYGVCN-OQKWZONESA-N 0 0 325.452 5.882 50 30 EKEARN C=CCSc1nc(C2CC2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000002250763 564125331 /nfs/dbraw/zinc/12/53/31/564125331.db2.gz RIVKXGUANCRJPS-UHFFFAOYSA-N 0 0 326.852 5.429 50 30 EKEARN C=CCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 ZINC000002250983 564125329 /nfs/dbraw/zinc/12/53/29/564125329.db2.gz GHDCUSMOHFVRQN-UHFFFAOYSA-N 0 0 341.505 5.130 50 30 EKEARN Oc1ccc2ccccc2c1/C=N/c1ccc2c(c1)Cc1ccccc1-2 ZINC000002252018 564125318 /nfs/dbraw/zinc/12/53/18/564125318.db2.gz BZHHSGOYMAHTMJ-MFKUBSTISA-N 0 0 335.406 5.867 50 30 EKEARN Cc1ccc(C(=C2C(=O)c3ccccc3C2=O)c2ccccc2)cc1C ZINC000002255583 563428060 /nfs/dbraw/zinc/42/80/60/563428060.db2.gz NUKCVPFZYLFBEE-UHFFFAOYSA-N 0 0 338.406 5.185 50 30 EKEARN COC(=O)c1ccccc1/N=C/C(C)(C)C=C=C(C)CCC=C(C)C ZINC000002258882 258049679 /nfs/dbraw/zinc/04/96/79/258049679.db2.gz UVBTYKFCZFINAA-XQNSMLJCSA-N 0 0 339.479 6.050 50 30 EKEARN CCSc1nc(-c2ccccc2)cc(-c2ccccc2OC)c1C#N ZINC000002262020 209834924 /nfs/dbraw/zinc/83/49/24/209834924.db2.gz XPBWAELCEYSERW-UHFFFAOYSA-N 0 0 346.455 5.408 50 30 EKEARN C=CCOc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000002266528 564125395 /nfs/dbraw/zinc/12/53/95/564125395.db2.gz PNSMILYONYYMNF-UHFFFAOYSA-N 0 0 331.202 5.168 50 30 EKEARN CCCCCn1c2ccccc2nc1/N=C/c1cc(Cl)ccc1O ZINC000002267577 564125399 /nfs/dbraw/zinc/12/53/99/564125399.db2.gz WHODHFQELZBSIU-FYJGNVAPSA-N 0 0 341.842 5.336 50 30 EKEARN C=CCOc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000002268354 209835955 /nfs/dbraw/zinc/83/59/55/209835955.db2.gz QHEUKKQXLGXVLI-UHFFFAOYSA-N 0 0 331.202 5.168 50 30 EKEARN Cc1cc(/C=N/c2ccc(C)cc2C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000002268884 563428126 /nfs/dbraw/zinc/42/81/26/563428126.db2.gz OVZXOTSRNFUXMV-BUVRLJJBSA-N 0 0 345.490 5.528 50 30 EKEARN CCCCCCCn1c2ccccc2nc1/N=C/c1ccccc1O ZINC000002269666 258049582 /nfs/dbraw/zinc/04/95/82/258049582.db2.gz QAFCADPFRYZLLZ-CJLVFECKSA-N 0 0 335.451 5.463 50 30 EKEARN C=C(C(=O)c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000002270840 258049664 /nfs/dbraw/zinc/04/96/64/258049664.db2.gz NRJUDVPOGVERHI-QFIPXVFZSA-N 0 0 340.422 5.482 50 30 EKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1Nc1ccccc1 ZINC000002271550 564125415 /nfs/dbraw/zinc/12/54/15/564125415.db2.gz UOFKBGAZNBPCPU-UHFFFAOYSA-N 0 0 347.421 6.031 50 30 EKEARN FC(F)(F)Sc1ccc(NC(=S)NCc2ccccc2)cc1 ZINC000002272502 564013316 /nfs/dbraw/zinc/01/33/16/564013316.db2.gz MGDTXWSHNLRQJC-UHFFFAOYSA-N 0 0 342.411 5.006 50 30 EKEARN CCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000002275187 209837603 /nfs/dbraw/zinc/83/76/03/209837603.db2.gz YKZIQCKTCRDJEQ-UHFFFAOYSA-N 0 0 338.407 5.483 50 30 EKEARN O=C1c2ccccc2[C@]2(c3ccccc3)O[C@]12c1cccc2ccccc21 ZINC000002275527 564125606 /nfs/dbraw/zinc/12/56/06/564125606.db2.gz CNCXDAYVPAKAQI-LOSJGSFVSA-N 0 0 348.401 5.205 50 30 EKEARN O=C1c2ccccc2[C@@]2(c3ccccc3)O[C@@]12c1cccc2ccccc21 ZINC000002275528 541326168 /nfs/dbraw/zinc/32/61/68/541326168.db2.gz CNCXDAYVPAKAQI-RPBOFIJWSA-N 0 0 348.401 5.205 50 30 EKEARN O=C1c2ccccc2S/C1=C\c1c2ccccc2cc2ccccc21 ZINC000002279484 564125633 /nfs/dbraw/zinc/12/56/33/564125633.db2.gz CFRSXCHVJQAGQY-HMAPJEAMSA-N 0 0 338.431 6.323 50 30 EKEARN CC1(C)C[C@](CC#N)(Cc2ccccc2)[C@@H](Cc2ccccc2)CO1 ZINC000002282061 209837510 /nfs/dbraw/zinc/83/75/10/209837510.db2.gz SIEWHMGJYVAERM-GMAHTHKFSA-N 0 0 333.475 5.187 50 30 EKEARN CC1(C)C[C@](CC#N)(Cc2ccccc2)[C@H](Cc2ccccc2)CO1 ZINC000002282062 564130243 /nfs/dbraw/zinc/13/02/43/564130243.db2.gz SIEWHMGJYVAERM-GGAORHGYSA-N 0 0 333.475 5.187 50 30 EKEARN CC1(C)C[C@@](CC#N)(Cc2ccccc2)[C@@H](Cc2ccccc2)CO1 ZINC000002282063 258049380 /nfs/dbraw/zinc/04/93/80/258049380.db2.gz SIEWHMGJYVAERM-JTHBVZDNSA-N 0 0 333.475 5.187 50 30 EKEARN CC1(C)C[C@@](CC#N)(Cc2ccccc2)[C@H](Cc2ccccc2)CO1 ZINC000002282064 564130238 /nfs/dbraw/zinc/13/02/38/564130238.db2.gz SIEWHMGJYVAERM-FYYLOGMGSA-N 0 0 333.475 5.187 50 30 EKEARN CCCCCn1c2ccccc2nc1/N=C/c1c[nH]c2ccccc12 ZINC000002282379 564130276 /nfs/dbraw/zinc/13/02/76/564130276.db2.gz LXZRYOFATHEESA-HZHRSRAPSA-N 0 0 330.435 5.458 50 30 EKEARN Clc1c(/C=N/c2ccc(Cl)cc2Cl)sc2ccccc12 ZINC000002283047 201528862 /nfs/dbraw/zinc/52/88/62/201528862.db2.gz MJSRAQWZZYFYQJ-UFWORHAWSA-N 0 0 340.662 6.612 50 30 EKEARN N#C[C@@H]1[C@H](/N=C/c2ccccc2)c2ccccc2CC12CCCCC2 ZINC000002289105 564130364 /nfs/dbraw/zinc/13/03/64/564130364.db2.gz VMCKZKAPFGYVEA-QFMQMNJBSA-N 0 0 328.459 5.493 50 30 EKEARN CC(=O)c1cccc(N=CC=C2C=C(c3ccccc3)OC(C)(C)O2)c1 ZINC000002291945 209838477 /nfs/dbraw/zinc/83/84/77/209838477.db2.gz JXYGEADZRMSNEQ-SWZQWKNLSA-N 0 0 347.414 5.299 50 30 EKEARN CC(C)(C)c1cc2oc3c(c2c(/C=N/c2ccccc2)c1O)CCCC3 ZINC000002292469 564131722 /nfs/dbraw/zinc/13/17/22/564131722.db2.gz GQFUCYQZSUTLPH-ZVHZXABRSA-N 0 0 347.458 6.065 50 30 EKEARN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CCC#N ZINC000002294597 563428826 /nfs/dbraw/zinc/42/88/26/563428826.db2.gz ZDVXZJRMKJSKSX-UHFFFAOYSA-N 0 0 336.438 6.197 50 30 EKEARN CCCCCCCCNC(=O)C1C(c2ccccc2)=C1c1ccccc1 ZINC000002294664 564131734 /nfs/dbraw/zinc/13/17/34/564131734.db2.gz QUYPLZYBXWVBRB-UHFFFAOYSA-N 0 0 347.502 5.704 50 30 EKEARN CCc1ccc(C(=C2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 ZINC000002294928 564131752 /nfs/dbraw/zinc/13/17/52/564131752.db2.gz IEPNKRHJRLWCGM-UHFFFAOYSA-N 0 0 338.406 5.130 50 30 EKEARN O=C1/C(=C/C=C(Cl)Cl)CCCC/C1=C/C=C(Cl)Cl ZINC000002295104 564131746 /nfs/dbraw/zinc/13/17/46/564131746.db2.gz AYPVUMDHDQAJOI-VTBWALSUSA-N 0 0 326.050 5.620 50 30 EKEARN CCCCCCCC[C@@]1(CCC)NC(=S)N(c2ccccc2)N1 ZINC000002310580 258049565 /nfs/dbraw/zinc/04/95/65/258049565.db2.gz SVFWQBVHZNPQQO-IBGZPJMESA-N 0 0 333.545 5.133 50 30 EKEARN CCCCCCCC[C@]1(CCC)NC(=S)N(c2ccccc2)N1 ZINC000002310581 258049366 /nfs/dbraw/zinc/04/93/66/258049366.db2.gz SVFWQBVHZNPQQO-LJQANCHMSA-N 0 0 333.545 5.133 50 30 EKEARN CCCCCCCNC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000002312029 563429135 /nfs/dbraw/zinc/42/91/35/563429135.db2.gz NKHZYWIDBSKKQU-UHFFFAOYSA-N 0 0 334.847 5.004 50 30 EKEARN CCCOc1ccc(CNC(=S)Nc2ccccc2)cc1Cl ZINC000002315269 258049511 /nfs/dbraw/zinc/04/95/11/258049511.db2.gz PMZYELKWWVNYCK-UHFFFAOYSA-N 0 0 334.872 5.027 50 30 EKEARN CCCC[C@H]1CC[C@@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)C1 ZINC000002320875 564132265 /nfs/dbraw/zinc/13/22/65/564132265.db2.gz CDKYACJXOAVVHP-LAUBAEHRSA-N 0 0 347.458 5.851 50 30 EKEARN CCCC[C@@H]1CC[C@@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)C1 ZINC000002320876 209839344 /nfs/dbraw/zinc/83/93/44/209839344.db2.gz CDKYACJXOAVVHP-DYESRHJHSA-N 0 0 347.458 5.851 50 30 EKEARN CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)C1 ZINC000002320877 564132255 /nfs/dbraw/zinc/13/22/55/564132255.db2.gz CDKYACJXOAVVHP-UWJYYQICSA-N 0 0 347.458 5.851 50 30 EKEARN CCCC[C@@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)C1 ZINC000002320878 564132294 /nfs/dbraw/zinc/13/22/94/564132294.db2.gz CDKYACJXOAVVHP-UTKZUKDTSA-N 0 0 347.458 5.851 50 30 EKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccs3)C12 ZINC000002327430 564132350 /nfs/dbraw/zinc/13/23/50/564132350.db2.gz PSQKUEXFFGOHPJ-HXUWFJFHSA-N 0 0 347.464 5.615 50 30 EKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccs3)C12 ZINC000002327432 564132337 /nfs/dbraw/zinc/13/23/37/564132337.db2.gz PSQKUEXFFGOHPJ-FQEVSTJZSA-N 0 0 347.464 5.615 50 30 EKEARN CCCCCCCCc1nnc(NC(=O)Nc2ccccc2)s1 ZINC000002335256 564132359 /nfs/dbraw/zinc/13/23/59/564132359.db2.gz CTZZFVAXKQHUOB-UHFFFAOYSA-N 0 0 332.473 5.085 50 30 EKEARN C=CCSc1nc(-c2ccccc2)nc2sc3c(c21)CCCC3 ZINC000002338634 209841437 /nfs/dbraw/zinc/84/14/37/209841437.db2.gz UDPRWHPURDFVBQ-UHFFFAOYSA-N 0 0 338.501 5.515 50 30 EKEARN CCCCCCCCc1nnc(NC(=O)Nc2ccc(C)cc2)s1 ZINC000002343603 258049307 /nfs/dbraw/zinc/04/93/07/258049307.db2.gz PHIGCZALQMNPKN-UHFFFAOYSA-N 0 0 346.500 5.394 50 30 EKEARN CCCCCCCc1nnc(NC(=O)Nc2ccc(C)cc2)s1 ZINC000002347563 209842948 /nfs/dbraw/zinc/84/29/48/209842948.db2.gz XNLMTIKHNJZCMY-UHFFFAOYSA-N 0 0 332.473 5.003 50 30 EKEARN C=CCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000002362182 564074832 /nfs/dbraw/zinc/07/48/32/564074832.db2.gz QGSNOORHHHWBSY-UHFFFAOYSA-N 0 0 328.440 5.565 50 30 EKEARN C=CCSc1nc2ccc(NC(=O)c3ccccc3C)cc2s1 ZINC000002371964 209843751 /nfs/dbraw/zinc/84/37/51/209843751.db2.gz HCJUTXDMSIAYKX-UHFFFAOYSA-N 0 0 340.473 5.135 50 30 EKEARN CCCCCCCCn1c2nc3ccccc3nc2c2cccc(C)c21 ZINC000002377069 564133939 /nfs/dbraw/zinc/13/39/39/564133939.db2.gz ONCHVFUGCDWDHN-UHFFFAOYSA-N 0 0 345.490 6.407 50 30 EKEARN CC(C)(C)C1C/C(=C\c2ccccc2)C(=O)/C(=C\c2ccccc2)C1 ZINC000002379832 201530450 /nfs/dbraw/zinc/53/04/50/201530450.db2.gz MGORMIBKCGZSKY-TVGQLCNQSA-N 0 0 330.471 6.179 50 30 EKEARN O=C(Nc1cccc2ccccc21)N1CCS/C1=N\c1ccccc1 ZINC000002379875 563430909 /nfs/dbraw/zinc/43/09/09/563430909.db2.gz OOEKGESPWRFFAG-MRCUWXFGSA-N 0 0 347.443 5.108 50 30 EKEARN C/C(=N\c1ccccc1C)c1cccc(/C(C)=N/c2ccccc2C)n1 ZINC000002386671 563430903 /nfs/dbraw/zinc/43/09/03/563430903.db2.gz FWPJMGBMVWKPTM-SIHVKLMXSA-N 0 0 341.458 5.980 50 30 EKEARN CCCCCCCn1c2nc3ccccc3nc2c2cccc(C)c21 ZINC000002387899 564134330 /nfs/dbraw/zinc/13/43/30/564134330.db2.gz IWFOILRAGCRDJN-UHFFFAOYSA-N 0 0 331.463 6.017 50 30 EKEARN C=CCSc1nc2ccc(NC(=O)c3cccc(C)c3)cc2s1 ZINC000002415027 564134776 /nfs/dbraw/zinc/13/47/76/564134776.db2.gz MEZSNAQNIACHIL-UHFFFAOYSA-N 0 0 340.473 5.135 50 30 EKEARN CCCCCCCCCNc1ncnc2c3cc(Cl)ccc3[nH]c21 ZINC000002419035 258049414 /nfs/dbraw/zinc/04/94/14/258049414.db2.gz AIDNCLNBRBSQBN-UHFFFAOYSA-N 0 0 344.890 5.927 50 30 EKEARN CCCCCCCCCNc1ncnc2c3cc(OC)ccc3[nH]c21 ZINC000002421355 258049691 /nfs/dbraw/zinc/04/96/91/258049691.db2.gz FJSGZAGRPSLDCO-UHFFFAOYSA-N 0 0 340.471 5.282 50 30 EKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccccc3)C12 ZINC000002431993 564135101 /nfs/dbraw/zinc/13/51/01/564135101.db2.gz VJIWWQYBJJTYSK-QFIPXVFZSA-N 0 0 341.435 5.553 50 30 EKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccccc3)C12 ZINC000002431994 564135144 /nfs/dbraw/zinc/13/51/44/564135144.db2.gz VJIWWQYBJJTYSK-JOCHJYFZSA-N 0 0 341.435 5.553 50 30 EKEARN CCCCCCCn1c(-c2ccco2)nc2nc3ccccc3nc21 ZINC000002434865 209850858 /nfs/dbraw/zinc/85/08/58/209850858.db2.gz LZMORDHYFOWXFF-UHFFFAOYSA-N 0 0 334.423 5.210 50 30 EKEARN C=CCn1c(SC/C=C/c2ccccc2)nnc1-c1ccc(C)cc1 ZINC000002443099 258016757 /nfs/dbraw/zinc/01/67/57/258016757.db2.gz BHYDXPYCEVQDCS-JXMROGBWSA-N 0 0 347.487 5.245 50 30 EKEARN C=CCn1c(SCc2ccc(C)cc2)nnc1-c1ccc(C)cc1 ZINC000002443737 258017270 /nfs/dbraw/zinc/01/72/70/258017270.db2.gz ZAZBJHAGHZHKRN-UHFFFAOYSA-N 0 0 335.476 5.040 50 30 EKEARN Cc1ccccc1Cc1c(C)c(C#N)c2nc3ccccc3n2c1Cl ZINC000002447377 209851711 /nfs/dbraw/zinc/85/17/11/209851711.db2.gz XELBGERDHIEPHJ-UHFFFAOYSA-N 0 0 345.833 5.220 50 30 EKEARN C=CCn1c(SCc2ccc(C)cc2)nnc1-c1cccc(C)c1 ZINC000002448496 258016714 /nfs/dbraw/zinc/01/67/14/258016714.db2.gz SMBUHALWIXTSML-UHFFFAOYSA-N 0 0 335.476 5.040 50 30 EKEARN C=CCn1c(SCc2ccccc2Cl)nnc1-c1ccccc1 ZINC000002450909 258016403 /nfs/dbraw/zinc/01/64/03/258016403.db2.gz OGGRWBAEHABIGP-UHFFFAOYSA-N 0 0 341.867 5.077 50 30 EKEARN Cc1ccc(NC=C2C(=O)CC(c3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000002454125 564135845 /nfs/dbraw/zinc/13/58/45/564135845.db2.gz TYMFIJGQTXLGTG-UHFFFAOYSA-N 0 0 347.458 5.130 50 30 EKEARN N#Cc1c(-c2ccccc2)cc(C2CC2)nc1SCc1ccccc1 ZINC000002465715 201532034 /nfs/dbraw/zinc/53/20/34/201532034.db2.gz DJSFIXOSULWHGO-UHFFFAOYSA-N 0 0 342.467 5.790 50 30 EKEARN O=C1c2ccccc2C(Nc2cccc(Cl)c2)=C1c1ccccc1 ZINC000002504470 563434566 /nfs/dbraw/zinc/43/45/66/563434566.db2.gz WOOFCPDJTJJZQL-UHFFFAOYSA-N 0 0 331.802 5.517 50 30 EKEARN CC(C)c1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc1 ZINC000002504491 201534254 /nfs/dbraw/zinc/53/42/54/201534254.db2.gz MXMRAYYQKPIOQB-UHFFFAOYSA-N 0 0 339.438 5.987 50 30 EKEARN C=CCc1cccc2c(=O)cc(-c3ccc(Br)s3)oc12 ZINC000002506105 564074862 /nfs/dbraw/zinc/07/48/62/564074862.db2.gz ICVIWFGMIONKCR-UHFFFAOYSA-N 0 0 347.233 5.013 50 30 EKEARN CCCCCCCCc1ccc(OC(=O)c2ccccc2O)cc1 ZINC000002507905 201533954 /nfs/dbraw/zinc/53/39/54/201533954.db2.gz VNFXPOAMRORRJJ-UHFFFAOYSA-N 0 0 326.436 5.514 50 30 EKEARN COc1cc(CC#N)c(OCC[C@H](C)CCCC(C)C)cc1CC#N ZINC000002509879 563434895 /nfs/dbraw/zinc/43/48/95/563434895.db2.gz QRSBGAFJARYUJE-QGZVFWFLSA-N 0 0 342.483 5.059 50 30 EKEARN COc1ccc(/C=C/C(=O)Sc2ccc(F)cc2)c2ccccc12 ZINC000002510373 563584639 /nfs/dbraw/zinc/58/46/39/563584639.db2.gz FIDFIHQEYQMZOK-NTUHNPAUSA-N 0 0 338.403 5.320 50 30 EKEARN COc1ccc(/C=C/C(=O)Sc2ccc(C)cc2)c2ccccc12 ZINC000002510374 563584564 /nfs/dbraw/zinc/58/45/64/563584564.db2.gz LALXAFSNHWTMNQ-GXDHUFHOSA-N 0 0 334.440 5.489 50 30 EKEARN N#CC(C#N)[C@H](CC(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000002520690 564119056 /nfs/dbraw/zinc/11/90/56/564119056.db2.gz ZRXHJFAPJYKPSF-HNNXBMFYSA-N 0 0 343.213 5.013 50 30 EKEARN CCCCCCCc1ccc(-c2ccc(Br)cc2)cc1 ZINC000002528025 563439704 /nfs/dbraw/zinc/43/97/04/563439704.db2.gz RJQRJLCQHIMUQO-UHFFFAOYSA-N 0 0 331.297 6.629 50 30 EKEARN N#Cc1cc(C(=O)c2cccc3ccccc32)n2ccc3ccccc3c12 ZINC000002544951 209866126 /nfs/dbraw/zinc/86/61/26/209866126.db2.gz NZYFDGQXGHXMBV-UHFFFAOYSA-N 0 0 346.389 5.348 50 30 EKEARN N#Cc1cc(C(=O)c2ccc3ccccc3c2)n2ccc3ccccc3c12 ZINC000002544952 564150589 /nfs/dbraw/zinc/15/05/89/564150589.db2.gz NUCOTJOBFCIJQD-UHFFFAOYSA-N 0 0 346.389 5.348 50 30 EKEARN CCOc1nc(-c2cccc(Cl)c2)cc(-c2ccccc2)c1C#N ZINC000002546801 563950863 /nfs/dbraw/zinc/95/08/63/563950863.db2.gz FZBAFVPWULDPNM-UHFFFAOYSA-N 0 0 334.806 5.339 50 30 EKEARN O=C1c2ccccc2CC/C1=C\c1c2ccccc2cc2ccccc21 ZINC000002549128 201535629 /nfs/dbraw/zinc/53/56/29/201535629.db2.gz YMPGQBVUYFTKNK-CAPFRKAQSA-N 0 0 334.418 6.206 50 30 EKEARN CCCCCCCCCCCCc1ccc(Br)cc1 ZINC000002556804 258049780 /nfs/dbraw/zinc/04/97/80/258049780.db2.gz RFFMRBISTZHCNY-UHFFFAOYSA-N 0 0 325.334 6.913 50 30 EKEARN CCCCCCCCNC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000002561589 563441577 /nfs/dbraw/zinc/44/15/77/563441577.db2.gz RBHLCBJZMOHCRK-UHFFFAOYSA-N 0 0 348.874 5.394 50 30 EKEARN CC(=O)c1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc1 ZINC000002561704 563441555 /nfs/dbraw/zinc/44/15/55/563441555.db2.gz ZIUWNLBFZVKNAQ-UHFFFAOYSA-N 0 0 339.394 5.066 50 30 EKEARN Cc1cc(-c2csc(Nc3ccc(C#N)cc3)n2)ccc1Cl ZINC000002562040 209868339 /nfs/dbraw/zinc/86/83/39/209868339.db2.gz NSFNRQSGHHBHOW-UHFFFAOYSA-N 0 0 325.824 5.387 50 30 EKEARN C=C1SC(Nc2ccc(SC(F)(F)F)cc2)=NC1(CC)CC ZINC000002562091 201536751 /nfs/dbraw/zinc/53/67/51/201536751.db2.gz GFRHYRIQCWTKNW-UHFFFAOYSA-N 0 0 346.443 5.695 50 30 EKEARN C=C1SC(Nc2ccc(OC(F)(F)F)cc2)=NC1(CC)CC ZINC000002562117 563998286 /nfs/dbraw/zinc/99/82/86/563998286.db2.gz AGQOXWCRBYPEFU-UHFFFAOYSA-N 0 0 330.375 5.172 50 30 EKEARN N#Cc1ccccc1/C=C/c1ccc(/C=C/c2ccccc2C#N)cc1 ZINC000002566825 564150876 /nfs/dbraw/zinc/15/08/76/564150876.db2.gz RBABXJPJIHMBBP-WXUKJITCSA-N 0 0 332.406 5.771 50 30 EKEARN N#CC(C#N)[C@@H](CC(=O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000002568480 563442182 /nfs/dbraw/zinc/44/21/82/563442182.db2.gz YBIMFCCNPQYEND-CYBMUJFWSA-N 0 0 349.242 5.075 50 30 EKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(N)c2C#N)cc1 ZINC000002568481 564150878 /nfs/dbraw/zinc/15/08/78/564150878.db2.gz AKBNFABCBKCCSF-UHFFFAOYSA-N 0 0 343.817 5.308 50 30 EKEARN CCOc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000002568482 564150889 /nfs/dbraw/zinc/15/08/89/564150889.db2.gz QHDXTFAKSZTJEZ-UHFFFAOYSA-N 0 0 334.806 5.339 50 30 EKEARN CCCCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000002569894 209868018 /nfs/dbraw/zinc/86/80/18/209868018.db2.gz AITQOXOBSMXBRV-UHFFFAOYSA-N 0 0 325.455 6.625 50 30 EKEARN C=CC/N=c1\scc(-c2ccccc2)n1-c1cccc2ccccc21 ZINC000002573244 258046939 /nfs/dbraw/zinc/04/69/39/258046939.db2.gz VVFMARLXRWNIPS-FCQUAONHSA-N 0 0 342.467 5.446 50 30 EKEARN O=C(/C=C/c1c(F)cccc1Cl)/C=C/c1c(F)cccc1Cl ZINC000002577743 563442875 /nfs/dbraw/zinc/44/28/75/563442875.db2.gz LBUDJHCIGYIYFW-FIFLTTCUSA-N 0 0 339.168 5.567 50 30 EKEARN CCCCCCCCOc1ccc(/C=N/c2ccc(C#N)cc2)cc1 ZINC000002584477 209871075 /nfs/dbraw/zinc/87/10/75/209871075.db2.gz OUUJTVZTPFJGMR-HKOYGPOVSA-N 0 0 334.463 6.048 50 30 endogenous,in-man EKEARN CC(C)(C)C1=CC(Br)(C(C)(C)C)C=C(C(C)(C)C)C1=O ZINC000002584526 564076119 /nfs/dbraw/zinc/07/61/19/564076119.db2.gz AXDBYSGOBINHRD-UHFFFAOYSA-N 0 0 341.333 5.694 50 30 EKEARN CCCCCCCCCOc1ccc(/N=C/c2ccc(C#N)cc2)cc1 ZINC000002584528 201536029 /nfs/dbraw/zinc/53/60/29/201536029.db2.gz JWMSIRWJOWLGNS-NCELDCMTSA-N 0 0 348.490 6.438 50 30 EKEARN N#C[C@]1(c2nc3ccccc3s2)C[C@H]1c1ccc(Cl)cc1Cl ZINC000002625035 209875116 /nfs/dbraw/zinc/87/51/16/209875116.db2.gz UYINWSGGEKJDLS-YVEFUNNKSA-N 0 0 345.254 5.552 50 30 EKEARN N#C[C@@]1(c2nc3ccccc3s2)C[C@H]1c1ccc(Cl)cc1Cl ZINC000002625036 564151289 /nfs/dbraw/zinc/15/12/89/564151289.db2.gz UYINWSGGEKJDLS-SJCJKPOMSA-N 0 0 345.254 5.552 50 30 EKEARN N#C[C@]1(c2nc3ccccc3s2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000002625037 564151277 /nfs/dbraw/zinc/15/12/77/564151277.db2.gz UYINWSGGEKJDLS-SJKOYZFVSA-N 0 0 345.254 5.552 50 30 EKEARN N#C[C@@]1(c2nc3ccccc3s2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000002625038 564151298 /nfs/dbraw/zinc/15/12/98/564151298.db2.gz UYINWSGGEKJDLS-PXAZEXFGSA-N 0 0 345.254 5.552 50 30 EKEARN N#Cc1ccc(Oc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000002628501 564151394 /nfs/dbraw/zinc/15/13/94/564151394.db2.gz RCVYDBIOGAFXNG-UHFFFAOYSA-N 0 0 329.384 5.022 50 30 EKEARN N#Cc1ccccc1Oc1ncnc2sc(-c3ccccc3)cc21 ZINC000002628503 564151397 /nfs/dbraw/zinc/15/13/97/564151397.db2.gz PAKQTWQPLSRRLX-UHFFFAOYSA-N 0 0 329.384 5.022 50 30 EKEARN Cc1cc(C#N)c(C)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002637997 564151603 /nfs/dbraw/zinc/15/16/03/564151603.db2.gz LNJKHQVTANGCIP-UHFFFAOYSA-N 0 0 332.247 5.003 50 30 EKEARN Cc1ccc(-c2nc(S[C@@H](C)C#N)[nH]c2-c2ccc(C)cc2)cc1 ZINC000002640831 564151711 /nfs/dbraw/zinc/15/17/11/564151711.db2.gz UUMQDZYHDXXNJZ-HNNXBMFYSA-N 0 0 333.460 5.365 50 30 EKEARN N#Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl ZINC000002650380 209883794 /nfs/dbraw/zinc/88/37/94/209883794.db2.gz NOZXACRHLBNLCT-UHFFFAOYSA-N 0 0 332.790 5.131 50 30 EKEARN c1ccc(Oc2ccc3nc(NC4=NCCCCC4)sc3c2)cc1 ZINC000002659643 568417740 /nfs/dbraw/zinc/41/77/40/568417740.db2.gz BEBKXOTUJUGLND-UHFFFAOYSA-N 0 0 337.448 5.282 50 30 EKEARN CCCCC1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 ZINC000002692989 209891667 /nfs/dbraw/zinc/89/16/67/209891667.db2.gz HUHYQGVMQFVOLV-UHFFFAOYSA-N 0 0 330.468 5.109 50 30 EKEARN C=CCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c21 ZINC000002701562 563602743 /nfs/dbraw/zinc/60/27/43/563602743.db2.gz VNEGBAFBFWOWHI-UHFFFAOYSA-N 0 0 327.387 5.155 50 30 EKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(Cl)c3)sc2C1 ZINC000002736908 564152321 /nfs/dbraw/zinc/15/23/21/564152321.db2.gz GAAFLROWZYIBQE-NSHDSACASA-N 0 0 344.867 5.040 50 30 EKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(Cl)c3)sc2C1 ZINC000002736909 564152326 /nfs/dbraw/zinc/15/23/26/564152326.db2.gz GAAFLROWZYIBQE-LLVKDONJSA-N 0 0 344.867 5.040 50 30 EKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C3CCCCC3)sc2C1 ZINC000002738679 564152336 /nfs/dbraw/zinc/15/23/36/564152336.db2.gz MMVCUROMLVDAHJ-AWEZNQCLSA-N 0 0 344.524 5.290 50 30 EKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C3CCCCC3)sc2C1 ZINC000002738680 564152314 /nfs/dbraw/zinc/15/23/14/564152314.db2.gz MMVCUROMLVDAHJ-CQSZACIVSA-N 0 0 344.524 5.290 50 30 EKEARN CC(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000002742016 564152351 /nfs/dbraw/zinc/15/23/51/564152351.db2.gz XJMZCSBBXAIVMB-UHFFFAOYSA-N 0 0 338.476 5.264 50 30 EKEARN CCC(CC)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 ZINC000002745030 564152391 /nfs/dbraw/zinc/15/23/91/564152391.db2.gz SWIBDWBSJSJQHL-AWEZNQCLSA-N 0 0 346.540 5.536 50 30 in-vitro EKEARN CCC(CC)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 ZINC000002745031 564152408 /nfs/dbraw/zinc/15/24/08/564152408.db2.gz SWIBDWBSJSJQHL-CQSZACIVSA-N 0 0 346.540 5.536 50 30 in-vitro EKEARN C[C@H]1CCc2c(C#N)c(NC(=O)Nc3ccc(Cl)cc3)sc2C1 ZINC000002745405 209901229 /nfs/dbraw/zinc/90/12/29/209901229.db2.gz BUKDTWZDQSZIFV-JTQLQIEISA-N 0 0 345.855 5.042 50 30 EKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)Nc3ccc(Cl)cc3)sc2C1 ZINC000002745406 564152381 /nfs/dbraw/zinc/15/23/81/564152381.db2.gz BUKDTWZDQSZIFV-SNVBAGLBSA-N 0 0 345.855 5.042 50 30 EKEARN CCc1c(C)sc(NC(=O)c2c(Cl)cccc2Cl)c1C#N ZINC000002747423 209900575 /nfs/dbraw/zinc/90/05/75/209900575.db2.gz KNKDRJXSIAXNBH-UHFFFAOYSA-N 0 0 339.247 5.050 50 30 EKEARN CCCCCCCCCCC(=O)Nc1c(Cl)cccc1Cl ZINC000002748910 563611700 /nfs/dbraw/zinc/61/17/00/563611700.db2.gz OFJDUGJRKMXDSC-UHFFFAOYSA-N 0 0 330.299 6.463 50 30 EKEARN C=CCN(CC=C)C(=O)c1cc(-c2cccc(C)c2)nc2ccccc21 ZINC000002748928 563611663 /nfs/dbraw/zinc/61/16/63/563611663.db2.gz RJDNJAJQYORELL-UHFFFAOYSA-N 0 0 342.442 5.024 50 30 EKEARN CCCCCCCCCCCC(=O)Nc1cccc2ccc(C)nc21 ZINC000002750776 563448748 /nfs/dbraw/zinc/44/87/48/563448748.db2.gz AVFMLBCVFUZZQC-UHFFFAOYSA-N 0 0 340.511 6.403 50 30 EKEARN CCCCCCCCCNC(=O)c1c(C)onc1-c1ccccc1 ZINC000002753077 563449102 /nfs/dbraw/zinc/44/91/02/563449102.db2.gz GGKXXEZXRWJPQJ-UHFFFAOYSA-N 0 0 328.456 5.130 50 30 EKEARN Cc1sc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C#N)c1C ZINC000002767024 564152503 /nfs/dbraw/zinc/15/25/03/564152503.db2.gz RZMJYVYOBNDGBU-DHZHZOJOSA-N 0 0 338.476 5.186 50 30 EKEARN COc1ccc(NC(=NC(C)(C)C)SCc2ccccc2)cc1 ZINC000002768754 563450168 /nfs/dbraw/zinc/45/01/68/563450168.db2.gz UOCZSPFMBPXAFI-UHFFFAOYSA-N 0 0 328.481 5.004 50 30 EKEARN Cc1ccsc1C(=O)Nc1sc(C)c(-c2ccccc2)c1C#N ZINC000002770551 564152550 /nfs/dbraw/zinc/15/25/50/564152550.db2.gz JLAJWUFCOMVSAQ-UHFFFAOYSA-N 0 0 338.457 5.217 50 30 EKEARN CCCC(=O)Nc1sc(C)c(-c2ccc([C@@H](C)CC)cc2)c1C#N ZINC000002773579 564152541 /nfs/dbraw/zinc/15/25/41/564152541.db2.gz DLUBOLRSIWNLGV-ZDUSSCGKSA-N 0 0 340.492 5.847 50 30 EKEARN CCCC(=O)Nc1sc(C)c(-c2ccc([C@H](C)CC)cc2)c1C#N ZINC000002773580 564152563 /nfs/dbraw/zinc/15/25/63/564152563.db2.gz DLUBOLRSIWNLGV-CYBMUJFWSA-N 0 0 340.492 5.847 50 30 EKEARN C=CCN(CC=C)C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000002773646 563614178 /nfs/dbraw/zinc/61/41/78/563614178.db2.gz XCHQBIAWXLRVJP-UHFFFAOYSA-N 0 0 342.442 5.024 50 30 EKEARN CCCCCCCC(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000002776417 563614486 /nfs/dbraw/zinc/61/44/86/563614486.db2.gz DRTOWMGLQOZFST-UHFFFAOYSA-N 0 0 348.446 5.563 50 30 EKEARN CCOc1ccc(-n2c(C)cc(/C=N/OCc3ccccc3)c2C)cc1 ZINC000002818707 258050212 /nfs/dbraw/zinc/05/02/12/258050212.db2.gz UHPWBWKZFVMWBK-HZHRSRAPSA-N 0 0 348.446 5.044 50 30 EKEARN C=CCc1cc(C)ccc1OCCOc1cccc2ccc(C)nc21 ZINC000002824144 564117006 /nfs/dbraw/zinc/11/70/06/564117006.db2.gz CZEQFLFTKAUPHH-UHFFFAOYSA-N 0 0 333.431 5.038 50 30 EKEARN Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(C#Cc2ccccc2)cc1 ZINC000002839610 209925120 /nfs/dbraw/zinc/92/51/20/209925120.db2.gz WFNSAGXDAMKCAJ-XQNSMLJCSA-N 0 0 340.382 5.054 50 30 EKEARN CCCSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000002841460 564152810 /nfs/dbraw/zinc/15/28/10/564152810.db2.gz DIPBOWDVJXAVJQ-UHFFFAOYSA-N 0 0 328.384 5.203 50 30 EKEARN N#Cc1cc2c(nc1S[C@H](CCC1CC1)c1ccccc1)CCCC2 ZINC000002847367 564152821 /nfs/dbraw/zinc/15/28/21/564152821.db2.gz STQJIOYHDSWCQM-OAQYLSRUSA-N 0 0 348.515 5.856 50 30 EKEARN N#Cc1cc2c(nc1S[C@@H](CCC1CC1)c1ccccc1)CCCC2 ZINC000002847368 201548431 /nfs/dbraw/zinc/54/84/31/201548431.db2.gz STQJIOYHDSWCQM-NRFANRHFSA-N 0 0 348.515 5.856 50 30 EKEARN Cc1ccc2nc(-c3ccc(/N=C/c4cccc(C)c4)cc3)sc2c1 ZINC000002848938 209926279 /nfs/dbraw/zinc/92/62/79/209926279.db2.gz RDANXPSBTSMCAV-OEAKJJBVSA-N 0 0 342.467 6.331 50 30 EKEARN C=CCOc1c(CNc2ccc(Cl)c(Cl)c2)cccc1OC ZINC000002860735 258046986 /nfs/dbraw/zinc/04/69/86/258046986.db2.gz UMRYZGITXCWSEF-UHFFFAOYSA-N 0 0 338.234 5.179 50 30 EKEARN C=CCC(CC=C)(CNC(=S)Nc1ccccc1)c1ccccc1 ZINC000002866947 564036248 /nfs/dbraw/zinc/03/62/48/564036248.db2.gz IFODSWNOLYNVPX-UHFFFAOYSA-N 0 0 336.504 5.063 50 30 EKEARN C=CC[NH+]1Cc2ccc3ccccc3c2-c2c(ccc3ccccc32)C1 ZINC000002871054 564036055 /nfs/dbraw/zinc/03/60/55/564036055.db2.gz UULZPBBOKXZYIH-UHFFFAOYSA-N 0 0 335.450 6.162 50 30 EKEARN C=CCOc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1C)c2=O ZINC000002886954 564152919 /nfs/dbraw/zinc/15/29/19/564152919.db2.gz CDTWBVSPZAHAMR-UHFFFAOYSA-N 0 0 336.387 5.075 50 30 EKEARN CCn1c2ccccc2c2cc(/C=N/c3cccc(Cl)c3C)ccc21 ZINC000002891382 201550707 /nfs/dbraw/zinc/55/07/07/201550707.db2.gz WSZYQJULADADCC-ZVHZXABRSA-N 0 0 346.861 6.527 50 30 EKEARN Cc1cc(C)c(/C=N/c2ccc(-c3ccccc3[N+](=O)[O-])cc2)c(C)c1 ZINC000002891420 209937307 /nfs/dbraw/zinc/93/73/07/209937307.db2.gz SZIMPHRHDXWZBS-OEAKJJBVSA-N 0 0 344.414 5.938 50 30 EKEARN N#Cc1c2c(sc1/N=C/c1ccc(Cl)cc1Cl)CCCC2 ZINC000002892502 563619728 /nfs/dbraw/zinc/61/97/28/563619728.db2.gz CTFPAGMFLBKWLS-AWQFTUOYSA-N 0 0 335.259 5.556 50 30 EKEARN Clc1ccc(-c2csc(N=NC=CCc3ccccc3)n2)cc1 ZINC000002893364 563462467 /nfs/dbraw/zinc/46/24/67/563462467.db2.gz LLYLVYMKBSLCHW-LIJKSJPWSA-N 0 0 339.851 5.575 50 30 EKEARN Cc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000002894642 563462454 /nfs/dbraw/zinc/46/24/54/563462454.db2.gz WXZJJZACPKMKAP-OEAKJJBVSA-N 0 0 342.467 6.331 50 30 EKEARN CCCCCCCSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000002894758 257838161 /nfs/dbraw/zinc/83/81/61/257838161.db2.gz MQGPRQYSHQANQE-UHFFFAOYSA-N 0 0 345.295 6.106 50 30 EKEARN CCOc1ccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000002895532 563462451 /nfs/dbraw/zinc/46/24/51/563462451.db2.gz GOFULFHIJNWDEN-WUKNDPDISA-N 0 0 343.426 5.561 50 30 EKEARN Clc1cc(Cl)c(N=NC=CCc2ccccc2)c(Cl)c1 ZINC000002896513 563462433 /nfs/dbraw/zinc/46/24/33/563462433.db2.gz BZUYLVMDQXNSMP-SIARZVSRSA-N 0 0 325.626 5.758 50 30 EKEARN O=C(Nc1ccccc1Cl)ON=C1c2ccccc2-c2ccccc21 ZINC000002899457 201551226 /nfs/dbraw/zinc/55/12/26/201551226.db2.gz DGSQEQHGUOETTH-UHFFFAOYSA-N 0 0 348.789 5.322 50 30 EKEARN CCCc1ccc(C(=O)Nc2ccccc2C#Cc2ccccc2)cc1 ZINC000002900324 564036092 /nfs/dbraw/zinc/03/60/92/564036092.db2.gz ULLXICBRIKUETE-UHFFFAOYSA-N 0 0 339.438 5.291 50 30 EKEARN Fc1c(F)c(F)c(O[C@@H](c2ccccc2)C(F)(F)F)c(F)c1F ZINC000002900631 563620003 /nfs/dbraw/zinc/62/00/03/563620003.db2.gz TWGQUWLOTCBPPR-ZDUSSCGKSA-N 0 0 342.185 5.065 50 30 EKEARN Fc1c(F)c(F)c(O[C@H](c2ccccc2)C(F)(F)F)c(F)c1F ZINC000002900632 563620113 /nfs/dbraw/zinc/62/01/13/563620113.db2.gz TWGQUWLOTCBPPR-CYBMUJFWSA-N 0 0 342.185 5.065 50 30 EKEARN O=P(CCC(F)(F)F)(CCC(F)(F)F)CCC(F)(F)F ZINC000002900698 209939845 /nfs/dbraw/zinc/93/98/45/209939845.db2.gz VFVMURMCRDXIGP-UHFFFAOYSA-N 0 0 338.150 5.207 50 30 EKEARN CCCCCCCCCc1noc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000002901788 563462744 /nfs/dbraw/zinc/46/27/44/563462744.db2.gz SQVDDDQNLSSPLY-UHFFFAOYSA-N 0 0 348.490 6.697 50 30 EKEARN C=C(Cl)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CC ZINC000002902261 209939109 /nfs/dbraw/zinc/93/91/09/209939109.db2.gz NBEATYKOJPJYAV-UHFFFAOYSA-N 0 0 340.806 5.154 50 30 EKEARN CCc1cccc(C)c1NC=CC(=O)c1ccc(Cl)cc1Cl ZINC000002905657 563463050 /nfs/dbraw/zinc/46/30/50/563463050.db2.gz MZUGFQCOTMXTKO-MDZDMXLPSA-N 0 0 334.246 5.673 50 30 EKEARN C=CCc1ccccc1OCc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000002910950 258047065 /nfs/dbraw/zinc/04/70/65/258047065.db2.gz ASYDWDKNCUWHHM-UHFFFAOYSA-N 0 0 349.474 5.057 50 30 EKEARN O=C1c2ccccc2S/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000002918413 201551512 /nfs/dbraw/zinc/55/15/12/201551512.db2.gz SOBOJZWQUVQKNB-KGENOOAVSA-N 0 0 344.435 5.595 50 30 EKEARN O=C1c2ccccc2S/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000002918414 563463628 /nfs/dbraw/zinc/46/36/28/563463628.db2.gz SOBOJZWQUVQKNB-STZFKDTASA-N 0 0 344.435 5.595 50 30 EKEARN Fc1cccc(Cl)c1/C=N/N=C(c1ccccc1)c1ccccc1 ZINC000002921401 563620979 /nfs/dbraw/zinc/62/09/79/563620979.db2.gz GORCIUOLLOYJKB-OEAKJJBVSA-N 0 0 336.797 5.351 50 30 EKEARN N#CCCN(C(=O)c1sc2ccccc2c1Cl)c1ccccc1 ZINC000002936147 563463906 /nfs/dbraw/zinc/46/39/06/563463906.db2.gz KSKRUVPZJQYBJY-UHFFFAOYSA-N 0 0 340.835 5.115 50 30 EKEARN C=C(Cl)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000002946486 209945669 /nfs/dbraw/zinc/94/56/69/209945669.db2.gz TZGBZCFMCHXHSF-UHFFFAOYSA-N 0 0 347.197 5.245 50 30 EKEARN N#Cc1cc2c(nc1S[C@H](CCC1CC1)c1ccccc1)CCC2 ZINC000002981316 564154025 /nfs/dbraw/zinc/15/40/25/564154025.db2.gz NFOSVKAYOJJJQY-HXUWFJFHSA-N 0 0 334.488 5.466 50 30 EKEARN N#Cc1cc2c(nc1S[C@@H](CCC1CC1)c1ccccc1)CCC2 ZINC000002981317 564154031 /nfs/dbraw/zinc/15/40/31/564154031.db2.gz NFOSVKAYOJJJQY-FQEVSTJZSA-N 0 0 334.488 5.466 50 30 EKEARN O=C1C(Cl)=CC(=NSc2ccc3ccccc3c2)C=C1Cl ZINC000002982963 563465728 /nfs/dbraw/zinc/46/57/28/563465728.db2.gz SJRHHYGUIBMIGJ-UHFFFAOYSA-N 0 0 334.227 5.116 50 30 EKEARN C=CCc1ccc(OCCCOc2ccc(C)cc2Cl)c(OC)c1 ZINC000002983691 519135992 /nfs/dbraw/zinc/13/59/92/519135992.db2.gz UPSWUXBABXMSME-UHFFFAOYSA-N 0 0 346.854 5.233 50 30 EKEARN C=CCc1ccc(OCCCOc2c(C)ccc(C)c2C)c(OC)c1 ZINC000002983942 519136157 /nfs/dbraw/zinc/13/61/57/519136157.db2.gz RXYKJOYBOUXGIH-UHFFFAOYSA-N 0 0 340.463 5.197 50 30 EKEARN C=CCc1ccc(OCCCOc2ccc3ccccc3c2)c(OC)c1 ZINC000002983997 519137403 /nfs/dbraw/zinc/13/74/03/519137403.db2.gz FMXGWACFPDMFRM-UHFFFAOYSA-N 0 0 348.442 5.425 50 30 EKEARN C=CCc1ccc(OCCCSc2ccc(Cl)cc2)c(OC)c1 ZINC000002985184 519137727 /nfs/dbraw/zinc/13/77/27/519137727.db2.gz PNBZVDBXYZDSOD-UHFFFAOYSA-N 0 0 348.895 5.638 50 30 EKEARN C=CCc1ccc(OCCOc2cccc3ccccc32)c(OC)c1 ZINC000002985373 519139980 /nfs/dbraw/zinc/13/99/80/519139980.db2.gz LFOALFFFMCSZDC-UHFFFAOYSA-N 0 0 334.415 5.035 50 30 EKEARN C=CCc1ccc(OCCCOc2ccc(Cl)cc2C)c(OC)c1 ZINC000002985455 519137010 /nfs/dbraw/zinc/13/70/10/519137010.db2.gz YSPLJFZXGGUCAN-UHFFFAOYSA-N 0 0 346.854 5.233 50 30 EKEARN C=CCc1ccc(OCCCCOc2ccc(Cl)cc2)c(OC)c1 ZINC000002985639 519135975 /nfs/dbraw/zinc/13/59/75/519135975.db2.gz CHUISEDZWNVALH-UHFFFAOYSA-N 0 0 346.854 5.315 50 30 EKEARN C=CCc1ccc(OCCCOc2ccc(Cl)c(C)c2)c(OC)c1 ZINC000002985692 519136062 /nfs/dbraw/zinc/13/60/62/519136062.db2.gz BBSBGEAYNPQIFH-UHFFFAOYSA-N 0 0 346.854 5.233 50 30 EKEARN C=CCc1ccc(OCCCCOc2cccc(Cl)c2)c(OC)c1 ZINC000002987051 519136129 /nfs/dbraw/zinc/13/61/29/519136129.db2.gz NOADXSVHGDZOHI-UHFFFAOYSA-N 0 0 346.854 5.315 50 30 EKEARN C=CCc1ccc(OCCCOc2cc(C)ccc2Cl)c(OC)c1 ZINC000002991102 519136351 /nfs/dbraw/zinc/13/63/51/519136351.db2.gz JRHCWDQVXGCFPL-UHFFFAOYSA-N 0 0 346.854 5.233 50 30 EKEARN C=CCc1ccc(OCCCOc2ccccc2CC=C)c(OC)c1 ZINC000002991293 519138153 /nfs/dbraw/zinc/13/81/53/519138153.db2.gz LUEKMHCXITUUPG-UHFFFAOYSA-N 0 0 338.447 5.000 50 30 EKEARN CCCCCCCCCCCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000003022769 563626524 /nfs/dbraw/zinc/62/65/24/563626524.db2.gz JCLOAFAUKGLPSO-UHFFFAOYSA-N 0 0 334.891 6.463 50 30 EKEARN CCCCCCCc1ccc(-c2nnc(C3CCCCC3)o2)cc1 ZINC000003022779 564154440 /nfs/dbraw/zinc/15/44/40/564154440.db2.gz LYXXLEABGRKBNC-UHFFFAOYSA-N 0 0 326.484 6.297 50 30 EKEARN CCCCCCCc1ccc(-c2noc(-c3ccc(CC)cc3)n2)cc1 ZINC000003022783 520069877 /nfs/dbraw/zinc/06/98/77/520069877.db2.gz NPSFGIAPRRSRQI-UHFFFAOYSA-N 0 0 348.490 6.479 50 30 EKEARN Cc1ccc(-n2nc3ccc(/N=C/C=C/c4ccccc4)cc3n2)cc1 ZINC000003024826 209953695 /nfs/dbraw/zinc/95/36/95/209953695.db2.gz UVNJPGUGMPKZCU-NJXDKVMSSA-N 0 0 338.414 5.145 50 30 EKEARN CC(C)Nc1nc(-c2ccccc2)nc(-c2ccc(Cl)cc2)c1C#N ZINC000003029393 564154447 /nfs/dbraw/zinc/15/44/47/564154447.db2.gz YAOBVFGNGGALBO-UHFFFAOYSA-N 0 0 348.837 5.156 50 30 EKEARN CN(C)/C=C/C(=O)c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000003041592 563470215 /nfs/dbraw/zinc/47/02/15/563470215.db2.gz GOQRMNQLFNXBMY-MDZDMXLPSA-N 0 0 336.218 5.044 50 30 EKEARN N#Cc1ncc(C(F)(F)F)cc1Sc1cccc(C(F)(F)F)c1 ZINC000003047572 564154686 /nfs/dbraw/zinc/15/46/86/564154686.db2.gz GFTBDUZBKJHVEW-UHFFFAOYSA-N 0 0 348.271 5.142 50 30 EKEARN C=CCSc1nc(Cc2ccc(Cl)cc2)nc2ccccc21 ZINC000003063734 564154895 /nfs/dbraw/zinc/15/48/95/564154895.db2.gz KEGKAJWCHFXPGT-UHFFFAOYSA-N 0 0 326.852 5.152 50 30 EKEARN N#CCc1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)cs1 ZINC000003064025 563470439 /nfs/dbraw/zinc/47/04/39/563470439.db2.gz UPMJEOCDPZARRA-UHFFFAOYSA-N 0 0 335.215 5.443 50 30 EKEARN Cc1c(/C=N/c2ccc(C)cc2)c2ccccc2n1Cc1ccccc1 ZINC000003067376 564154889 /nfs/dbraw/zinc/15/48/89/564154889.db2.gz JXMGKSSQZHDSBZ-PCLIKHOPSA-N 0 0 338.454 6.057 50 30 EKEARN C(#Cc1ccc(/C=N/c2ccc3ccccc3c2)cc1)c1ccccc1 ZINC000003077447 564125273 /nfs/dbraw/zinc/12/52/73/564125273.db2.gz ICKPBPURGIWREG-LGUFXXKBSA-N 0 0 331.418 5.990 50 30 EKEARN CCCCCCCCCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000003081004 564051550 /nfs/dbraw/zinc/05/15/50/564051550.db2.gz UJCXCHIGTWLEHN-UHFFFAOYSA-N 0 0 337.507 6.033 50 30 EKEARN FC(F)(F)c1cccc(/N=C/Nc2cccc(C(F)(F)F)c2)c1 ZINC000003086199 202160374 /nfs/dbraw/zinc/16/03/74/202160374.db2.gz JLZBCBTVHQWXHQ-UHFFFAOYSA-N 0 0 332.247 5.496 50 30 EKEARN Clc1ccc(/N=C/Nc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000003086203 564076109 /nfs/dbraw/zinc/07/61/09/564076109.db2.gz YOCJXLMFXFMEFF-UHFFFAOYSA-N 0 0 334.033 6.072 50 30 EKEARN Cc1cc2c(cc1C)/C(=N/c1ccccc1)c1cc3ccccc3nc1-2 ZINC000003087181 563912111 /nfs/dbraw/zinc/91/21/11/563912111.db2.gz MQCXHSNDZDCVMT-BZZOAKBMSA-N 0 0 334.422 6.001 50 30 EKEARN Cc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C)c(C)c3)cc2)cc1 ZINC000003088534 526238528 /nfs/dbraw/zinc/23/85/28/526238528.db2.gz UUEMSJBXANKWIO-BUVRLJJBSA-N 0 0 343.426 5.582 50 30 EKEARN Cc1ccc(-n2cc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 ZINC000003091234 564119107 /nfs/dbraw/zinc/11/91/07/564119107.db2.gz HXIMTYHPFKFNBD-UHFFFAOYSA-N 0 0 334.422 5.991 50 30 EKEARN O=[N+]([O-])c1cc(/C=N/c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000003091497 209962484 /nfs/dbraw/zinc/96/24/84/209962484.db2.gz KFLAQKSMIYFCGL-UFWORHAWSA-N 0 0 328.677 5.018 50 30 EKEARN O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)Nc1ccc3ccccc3c12 ZINC000003092287 563912176 /nfs/dbraw/zinc/91/21/76/563912176.db2.gz KLABSMJXOKTCCV-HSZRJFAPSA-N 0 0 343.401 5.652 50 30 EKEARN N#Cc1cc(Cl)ccc1/N=C/c1ccc(C#Cc2ccccc2)cc1 ZINC000003092396 564155101 /nfs/dbraw/zinc/15/51/01/564155101.db2.gz NVFIPVHAJDBVTN-PCLIKHOPSA-N 0 0 340.813 5.362 50 30 EKEARN N#CCCN(Cn1c2ccccc2c2ccccc21)c1ccccc1 ZINC000003094475 564125289 /nfs/dbraw/zinc/12/52/89/564125289.db2.gz QRSBDSSAJYURAD-UHFFFAOYSA-N 0 0 325.415 5.172 50 30 EKEARN N#CC(/C(F)=C(\F)c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000003094995 563471712 /nfs/dbraw/zinc/47/17/12/563471712.db2.gz KNPXMUHBBFNXKA-QZQOTICOSA-N 0 0 331.365 5.804 50 30 EKEARN CCCCCCCCOCCNC(=O)c1ccc(F)c2ccccc12 ZINC000003096357 520041354 /nfs/dbraw/zinc/04/13/54/520041354.db2.gz RCDNAZAZJAQGPI-UHFFFAOYSA-N 0 0 345.458 5.086 50 30 EKEARN Cc1ccc2nc(-c3cccc(/N=C/c4ccccc4O)c3)oc2c1 ZINC000003096673 563912063 /nfs/dbraw/zinc/91/20/63/563912063.db2.gz LXUKXHTYDABACE-LPYMAVHISA-N 0 0 328.371 5.259 50 30 EKEARN CCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000003096862 563471747 /nfs/dbraw/zinc/47/17/47/563471747.db2.gz WGKBTAGYRUXJFC-UHFFFAOYSA-N 0 0 338.451 5.238 50 30 EKEARN CCCCCCCCNc1nc(Cl)nc(Nc2ccccc2)n1 ZINC000003099660 520038619 /nfs/dbraw/zinc/03/86/19/520038619.db2.gz JSOHVQLDXASPQO-UHFFFAOYSA-N 0 0 333.867 5.041 50 30 EKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000003102054 564155144 /nfs/dbraw/zinc/15/51/44/564155144.db2.gz ZEAQPPWIXDNTON-UHFFFAOYSA-N 0 0 331.418 6.559 50 30 EKEARN C=CCNc1cc(CSc2ccccc2)nc(-c2ccccc2)n1 ZINC000003104495 564155168 /nfs/dbraw/zinc/15/51/68/564155168.db2.gz YHZFOYMQOGHRHH-UHFFFAOYSA-N 0 0 333.460 5.034 50 30 EKEARN N#Cc1cc(C(F)(F)F)ccc1Sc1c(Cl)cccc1Cl ZINC000003104749 564155164 /nfs/dbraw/zinc/15/51/64/564155164.db2.gz CZAPYKTUUREBCW-UHFFFAOYSA-N 0 0 348.176 6.035 50 30 EKEARN N#Cc1cc(C(F)(F)F)ccc1Sc1cccc(Cl)c1Cl ZINC000003104750 201557061 /nfs/dbraw/zinc/55/70/61/201557061.db2.gz UMBKWRTZRYOPFG-UHFFFAOYSA-N 0 0 348.176 6.035 50 30 EKEARN N#Cc1cc(C(F)(F)F)ccc1Sc1ccc(Cl)cc1Cl ZINC000003104751 564155173 /nfs/dbraw/zinc/15/51/73/564155173.db2.gz VOQFPNRTKSUQMZ-UHFFFAOYSA-N 0 0 348.176 6.035 50 30 EKEARN Clc1c(/C=N/OCc2ccc(Cl)cc2)sc2ccccc12 ZINC000003104910 564155165 /nfs/dbraw/zinc/15/51/65/564155165.db2.gz MPTWHMKEZNVPON-DJKKODMXSA-N 0 0 336.243 5.759 50 30 EKEARN Cc1ccc(CO/N=C/c2cccnc2Sc2ccc(C)cc2)cc1 ZINC000003105098 524625180 /nfs/dbraw/zinc/62/51/80/524625180.db2.gz YMOFDIKOCVFRNM-OEAKJJBVSA-N 0 0 348.471 5.400 50 30 EKEARN Cc1ccc(CO/N=C/c2cccnc2Sc2ccccc2)cc1 ZINC000003105183 524625483 /nfs/dbraw/zinc/62/54/83/524625483.db2.gz QJHKCCPXJXEOOS-HYARGMPZSA-N 0 0 334.444 5.092 50 30 EKEARN CCCCCCC[C@H]1CCc2nc(-c3ccc(F)cc3)ccc2C1 ZINC000003108564 564125293 /nfs/dbraw/zinc/12/52/93/564125293.db2.gz PXYCAPBWYRRLNH-KRWDZBQOSA-N 0 0 325.471 6.353 50 30 EKEARN CCCCCCC[C@@H]1CCc2nc(-c3ccc(F)cc3)ccc2C1 ZINC000003108565 564125297 /nfs/dbraw/zinc/12/52/97/564125297.db2.gz PXYCAPBWYRRLNH-QGZVFWFLSA-N 0 0 325.471 6.353 50 30 EKEARN CCCCCCCCc1ccc(-c2ccc(C#N)c(Cl)n2)cc1 ZINC000003108585 564155206 /nfs/dbraw/zinc/15/52/06/564155206.db2.gz UARLXFIWDXOHJP-UHFFFAOYSA-N 0 0 326.871 6.177 50 30 EKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccccc4C)cc3)sc2c1 ZINC000003110061 209965559 /nfs/dbraw/zinc/96/55/59/209965559.db2.gz OZXGMPQQULSKIG-OEAKJJBVSA-N 0 0 342.467 6.331 50 30 EKEARN Cc1ccc2c(c1)-c1nc3c(C)cccc3cc1/C2=N\C1CCCCC1 ZINC000003112095 564155204 /nfs/dbraw/zinc/15/52/04/564155204.db2.gz GIPBGZIMNFSCLN-BZZOAKBMSA-N 0 0 340.470 6.002 50 30 EKEARN Cc1ccc2c(c1)/C(=N/c1ccccc1)c1cc3cccc(C)c3nc1-2 ZINC000003112222 563973779 /nfs/dbraw/zinc/97/37/79/563973779.db2.gz PNGFWAIAIMBYJQ-IZHYLOQSSA-N 0 0 334.422 6.001 50 30 EKEARN Cc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(Cl)cc3)cc2)cc1 ZINC000003112576 564125288 /nfs/dbraw/zinc/12/52/88/564125288.db2.gz GFZDDDPYNNAENN-OEAKJJBVSA-N 0 0 349.817 5.618 50 30 EKEARN Fc1ccc(COc2ccc(/C=N/c3ccc(Cl)cc3)cc2)cc1 ZINC000003112618 563981643 /nfs/dbraw/zinc/98/16/43/563981643.db2.gz DAGIGYCWPGGGGI-YDZHTSKRSA-N 0 0 339.797 5.809 50 30 EKEARN Cc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C)cc3C)cc2)cc1 ZINC000003112631 526238453 /nfs/dbraw/zinc/23/84/53/526238453.db2.gz BANCLKMDOKHKKU-BUVRLJJBSA-N 0 0 343.426 5.582 50 30 EKEARN Cc1cccc2oc(-c3ccc(/N=C/c4ccc(Cl)cc4)cc3)nc21 ZINC000003115209 563997498 /nfs/dbraw/zinc/99/74/98/563997498.db2.gz PHQFTKHWQNHMHM-YDZHTSKRSA-N 0 0 346.817 6.207 50 30 EKEARN O=C1/C(=C\c2ccccc2Cl)SC/C1=C\c1ccccc1Cl ZINC000003118268 519110163 /nfs/dbraw/zinc/11/01/63/519110163.db2.gz JAUUZNLIXJARRT-QWGLIZDWSA-N 0 0 347.266 5.734 50 30 EKEARN C=CCN=C(Nc1ccc(C)cc1)C(c1ccccc1)c1ccccc1 ZINC000003121335 564155262 /nfs/dbraw/zinc/15/52/62/564155262.db2.gz PJZHPZXHFWXPIB-UHFFFAOYSA-N 0 0 340.470 5.824 50 30 EKEARN CCCc1ccc(C=C2C(=O)c3ccccc3C2=O)c2ccccc12 ZINC000003122154 564119105 /nfs/dbraw/zinc/11/91/05/564119105.db2.gz MLFYHSLTFCTVOI-UHFFFAOYSA-N 0 0 326.395 5.255 50 30 EKEARN CC(C)(C)c1cc(/C=N/c2ccc(O)cc2)cc(C(C)(C)C)c1O ZINC000003122299 564076107 /nfs/dbraw/zinc/07/61/07/564076107.db2.gz SIOFYSQLCFRELK-LPYMAVHISA-N 0 0 325.452 5.443 50 30 EKEARN O=C(/C=C/Sc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC000003126135 563473347 /nfs/dbraw/zinc/47/33/47/563473347.db2.gz AAZVRZYDURAVJJ-BQYQJAHWSA-N 0 0 343.662 6.136 50 30 EKEARN CCCCCCCCCCS(=O)(=O)Nc1cnc2ccccc2c1 ZINC000003126763 520023664 /nfs/dbraw/zinc/02/36/64/520023664.db2.gz GGJTXHUUYKGTED-UHFFFAOYSA-N 0 0 348.512 5.117 50 30 EKEARN CCCCCCCCOc1ccc(NC(=O)c2ccc(C)o2)cc1 ZINC000003127088 563473351 /nfs/dbraw/zinc/47/33/51/563473351.db2.gz DGSBIYZEEFGVCG-UHFFFAOYSA-N 0 0 329.440 5.580 50 30 EKEARN N#Cc1ccc(-c2ccccc2)nc1Oc1ccc(Cl)c(Cl)c1 ZINC000003128235 209967701 /nfs/dbraw/zinc/96/77/01/209967701.db2.gz FFCSBUAABNLJTL-UHFFFAOYSA-N 0 0 341.197 5.719 50 30 EKEARN N#Cc1ccc(-c2ccccc2)nc1Oc1cccc(C(F)(F)F)c1 ZINC000003128236 564155315 /nfs/dbraw/zinc/15/53/15/564155315.db2.gz PJRKFHGYGZSKRY-UHFFFAOYSA-N 0 0 340.304 5.431 50 30 EKEARN Cc1cccc(Sc2nc(-c3ccc(Cl)cc3)ccc2C#N)c1 ZINC000003128237 209967928 /nfs/dbraw/zinc/96/79/28/209967928.db2.gz QDBBSCFVEOFRJA-UHFFFAOYSA-N 0 0 336.847 5.733 50 30 EKEARN N#Cc1ccc(-c2ccc(Cl)cc2)nc1Sc1ccc(F)cc1 ZINC000003128238 564155321 /nfs/dbraw/zinc/15/53/21/564155321.db2.gz AVRRIBGCZODUDD-UHFFFAOYSA-N 0 0 340.810 5.564 50 30 EKEARN N#Cc1ccc(-c2ccc(Cl)cc2)nc1Oc1ccccc1Cl ZINC000003128244 564155318 /nfs/dbraw/zinc/15/53/18/564155318.db2.gz WIYGRBLNNBWMPF-UHFFFAOYSA-N 0 0 341.197 5.719 50 30 EKEARN N#Cc1ccc(-c2ccc(Cl)cc2)nc1Oc1ccc(F)cc1F ZINC000003128248 209968093 /nfs/dbraw/zinc/96/80/93/209968093.db2.gz XHHJETHTGWTSCW-UHFFFAOYSA-N 0 0 342.732 5.344 50 30 EKEARN N#Cc1ccc(-c2ccc(F)cc2)nc1Sc1cccc(Cl)c1 ZINC000003128329 201557728 /nfs/dbraw/zinc/55/77/28/201557728.db2.gz RFHUWGLFBMOZQK-UHFFFAOYSA-N 0 0 340.810 5.564 50 30 EKEARN N#Cc1ccc(-c2ccc(F)cc2)nc1Sc1ccc(Cl)cc1 ZINC000003128330 564155329 /nfs/dbraw/zinc/15/53/29/564155329.db2.gz FHMUOZBEOVNVPJ-UHFFFAOYSA-N 0 0 340.810 5.564 50 30 EKEARN Cc1cc(Cl)ccc1Oc1nc(-c2ccc(F)cc2)ccc1C#N ZINC000003128342 564155331 /nfs/dbraw/zinc/15/53/31/564155331.db2.gz MGZAAXJGZDYWMW-UHFFFAOYSA-N 0 0 338.769 5.514 50 30 EKEARN N#Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccccc1 ZINC000003128451 564155323 /nfs/dbraw/zinc/15/53/23/564155323.db2.gz REVPLDCYXONMES-UHFFFAOYSA-N 0 0 340.304 5.431 50 30 EKEARN CCCCCCCc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000003128746 563473564 /nfs/dbraw/zinc/47/35/64/563473564.db2.gz UMSLYXZSUVWFES-UHFFFAOYSA-N 0 0 347.861 6.244 50 30 EKEARN CCCCCCCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000003128747 209967635 /nfs/dbraw/zinc/96/76/35/209967635.db2.gz OXOSGMWQEXPVRF-UHFFFAOYSA-N 0 0 329.871 6.105 50 30 EKEARN CCCCCCCc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000003128750 563473466 /nfs/dbraw/zinc/47/34/66/563473466.db2.gz MBAJURZHQYCJBA-UHFFFAOYSA-N 0 0 328.431 5.983 50 30 EKEARN CCCCCCCOC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000003128811 520062398 /nfs/dbraw/zinc/06/23/98/520062398.db2.gz HBFJWLNFOWOXPF-GOSISDBHSA-N 0 0 339.479 5.142 50 30 EKEARN CCCCCCCOC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000003128812 520062486 /nfs/dbraw/zinc/06/24/86/520062486.db2.gz HBFJWLNFOWOXPF-SFHVURJKSA-N 0 0 339.479 5.142 50 30 EKEARN CC(C)(C)c1cc(/C=C2\Cc3ccccc3C2=O)cc(C(C)(C)C)c1O ZINC000003128965 563473572 /nfs/dbraw/zinc/47/35/72/563473572.db2.gz SMPSMMSABMAUMB-GZTJUZNOSA-N 0 0 348.486 5.810 50 30 EKEARN O=C(Sc1ccc(Cl)cc1)c1cncc(C#Cc2ccccc2)c1 ZINC000003129128 563949799 /nfs/dbraw/zinc/94/97/99/563949799.db2.gz IFZUHXGAXAOLSU-UHFFFAOYSA-N 0 0 349.842 5.067 50 30 EKEARN O=C(Sc1ccc(Cl)cc1)c1ccc(C#Cc2ccccc2)o1 ZINC000003129148 209968067 /nfs/dbraw/zinc/96/80/67/209968067.db2.gz FICNJAZIEKVXRJ-UHFFFAOYSA-N 0 0 338.815 5.265 50 30 EKEARN CCCCCCCCCCCC(=O)Nc1cccc2ccccc21 ZINC000003129706 519983934 /nfs/dbraw/zinc/98/39/34/519983934.db2.gz GSZPSBRNESDFPS-UHFFFAOYSA-N 0 0 325.496 6.699 50 30 EKEARN Cl/C(=N\C(Cl)(Cl)C(Cl)(Cl)Cl)c1ccccc1 ZINC000003129810 564013600 /nfs/dbraw/zinc/01/36/00/564013600.db2.gz LHKGBSNQSFSSTB-APSNUPSMSA-N 0 0 339.864 5.174 50 30 EKEARN CCCCCCCC1(CCCCCCC)OC(=O)c2ccccc21 ZINC000003129925 563473470 /nfs/dbraw/zinc/47/34/70/563473470.db2.gz SQMVOHHWMUACGB-UHFFFAOYSA-N 0 0 330.512 6.773 50 30 EKEARN N#Cc1cc(-c2ccccc2)cnc1Oc1ccc(Cl)c(Cl)c1 ZINC000003133105 564155371 /nfs/dbraw/zinc/15/53/71/564155371.db2.gz SGIRGFMSXGTZDN-UHFFFAOYSA-N 0 0 341.197 5.719 50 30 EKEARN COc1ccccc1Oc1ncc(-c2cccc(Cl)c2)cc1C#N ZINC000003133106 564155379 /nfs/dbraw/zinc/15/53/79/564155379.db2.gz CPCALXRXYZYSPA-UHFFFAOYSA-N 0 0 336.778 5.075 50 30 EKEARN N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Oc1ccccc1 ZINC000003133667 209969805 /nfs/dbraw/zinc/96/98/05/209969805.db2.gz UVPONTAHFCCNRA-UHFFFAOYSA-N 0 0 340.304 5.431 50 30 EKEARN CC(C)Oc1nc(-c2ccccc2)nc(-c2ccc(Cl)cc2)c1C#N ZINC000003133807 564155375 /nfs/dbraw/zinc/15/53/75/564155375.db2.gz MKKPTLAISIKLDF-UHFFFAOYSA-N 0 0 349.821 5.123 50 30 EKEARN Cc1ccc(SC(C)(C)/C=N/OCc2ccc(Cl)cc2)cc1 ZINC000003134250 525639953 /nfs/dbraw/zinc/63/99/53/525639953.db2.gz NFGBWPREGXQNLO-DEDYPNTBSA-N 0 0 333.884 5.722 50 30 EKEARN CCC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(OC)c2O)c1 ZINC000003136602 520674966 /nfs/dbraw/zinc/67/49/66/520674966.db2.gz AIWPQNYPGXUEQO-KIHMUJGBSA-N 0 0 347.842 5.414 50 30 EKEARN CCC[C@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(OC)c2O)c1 ZINC000003136604 521071293 /nfs/dbraw/zinc/07/12/93/521071293.db2.gz AIWPQNYPGXUEQO-OVMKCGGTSA-N 0 0 347.842 5.414 50 30 EKEARN FC(F)(F)C(F)(F)C(F)(F)Sc1cccc2cccnc21 ZINC000003138848 564125054 /nfs/dbraw/zinc/12/50/54/564125054.db2.gz LRYUDZNHZNXSQM-UHFFFAOYSA-N 0 0 329.240 5.117 50 30 EKEARN CCCCCCCCCOc1ccc(/C(=N\O)c2ccccc2)cc1 ZINC000003142269 564013661 /nfs/dbraw/zinc/01/36/61/564013661.db2.gz PSAMVTBQIKCEAI-FCQUAONHSA-N 0 0 339.479 6.043 50 30 EKEARN CCCCCCCCOc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000003142285 563474360 /nfs/dbraw/zinc/47/43/60/563474360.db2.gz URSCRVJHNVVHQS-UHFFFAOYSA-N 0 0 328.427 5.796 50 30 EKEARN N#Cc1c2c(sc1/N=C/c1ccc(Cl)c(Cl)c1)CCCC2 ZINC000003152944 209970890 /nfs/dbraw/zinc/97/08/90/209970890.db2.gz NGNSJCHUNNNQKG-AWQFTUOYSA-N 0 0 335.259 5.556 50 30 EKEARN CCCCCCCCCCNC(=O)c1ccc(Cl)cc1Cl ZINC000003154982 520020513 /nfs/dbraw/zinc/02/05/13/520020513.db2.gz UPVMQJLSSYPAIZ-UHFFFAOYSA-N 0 0 330.299 5.864 50 30 EKEARN CCCCCCCCCC(=O)Nc1ccc(Br)cc1 ZINC000003157287 519977876 /nfs/dbraw/zinc/97/78/76/519977876.db2.gz ABPKBHYWMWIQSK-UHFFFAOYSA-N 0 0 326.278 5.528 50 30 EKEARN CCc1cc2c(cc1-c1csc(CC#N)n1)C(C)(C)CCC2(C)C ZINC000003161869 563475141 /nfs/dbraw/zinc/47/51/41/563475141.db2.gz LNAFKGMYCYOEKQ-UHFFFAOYSA-N 0 0 338.520 5.788 50 30 EKEARN O=[N+]([O-])c1cccc(-c2ccc(/C=N/c3ccc(Cl)cc3)o2)c1 ZINC000003166012 563475196 /nfs/dbraw/zinc/47/51/96/563475196.db2.gz BCNCKHSQDFHPJP-YBFXNURJSA-N 0 0 326.739 5.259 50 30 EKEARN CCCCOc1ccc(C(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 ZINC000003166154 520858020 /nfs/dbraw/zinc/85/80/20/520858020.db2.gz RQAJEAOWBWZHIK-CJLVFECKSA-N 0 0 349.474 5.360 50 30 EKEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000003166605 564155573 /nfs/dbraw/zinc/15/55/73/564155573.db2.gz NTFKEOAFYQTNLP-UHFFFAOYSA-N 0 0 336.479 5.702 50 30 EKEARN CCCCCCCCCCOc1ccc(C2=CC[C@@H](C)CC2)cc1 ZINC000003167998 564155580 /nfs/dbraw/zinc/15/55/80/564155580.db2.gz LLRNSSXXDNHIFJ-HXUWFJFHSA-N 0 0 328.540 7.410 50 30 EKEARN CCCCCCCCCCOc1ccc(C2=CC[C@H](C)CC2)cc1 ZINC000003167999 209971819 /nfs/dbraw/zinc/97/18/19/209971819.db2.gz LLRNSSXXDNHIFJ-FQEVSTJZSA-N 0 0 328.540 7.410 50 30 EKEARN Clc1ccc(SCC#CCSc2ccc(Cl)cc2)cc1 ZINC000003169962 563952409 /nfs/dbraw/zinc/95/24/09/563952409.db2.gz CBAZYWYWVCKUOJ-UHFFFAOYSA-N 0 0 339.312 5.881 50 30 EKEARN Clc1cccc(/N=C/Nc2cccc(Cl)c2Cl)c1Cl ZINC000003169984 563475080 /nfs/dbraw/zinc/47/50/80/563475080.db2.gz OLAHKXTWRRDIMW-UHFFFAOYSA-N 0 0 334.033 6.072 50 30 EKEARN Fc1cccc(Cl)c1CO/N=C/c1ccc(Cl)cc1Cl ZINC000003170061 563475188 /nfs/dbraw/zinc/47/51/88/563475188.db2.gz ZGAJLBPYGGHNCX-FBCYGCLPSA-N 0 0 332.589 5.337 50 30 EKEARN Clc1ccc(/C=N/OCc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000003170064 563475180 /nfs/dbraw/zinc/47/51/80/563475180.db2.gz MITYFWVWQBPHMP-FBCYGCLPSA-N 0 0 349.044 5.851 50 30 EKEARN CC(C)(C)n1cnc2cc(/N=C/c3ccc(Cl)cc3Cl)ccc21 ZINC000003173889 564034288 /nfs/dbraw/zinc/03/42/88/564034288.db2.gz DYKYIXBDJKDHQB-UFFVCSGVSA-N 0 0 346.261 5.849 50 30 EKEARN CC(C)=CCCC(C)=C=CC(C)(C)/C=N/c1cccc(C(F)(F)F)c1 ZINC000003175712 519403588 /nfs/dbraw/zinc/40/35/88/519403588.db2.gz ILNHUXVVGTYBJG-MFKUBSTISA-N 0 0 349.440 7.282 50 30 EKEARN CCSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000003176699 209973112 /nfs/dbraw/zinc/97/31/12/209973112.db2.gz HZKHVNILFWOMOU-UHFFFAOYSA-N 0 0 346.455 5.408 50 30 EKEARN Cc1ccc(C(=Nc2c(C)cc(C)cc2C)c2ccc(C)cc2)cc1 ZINC000003176950 564155676 /nfs/dbraw/zinc/15/56/76/564155676.db2.gz NIKRMDPOPLGLMY-UHFFFAOYSA-N 0 0 327.471 6.398 50 30 EKEARN N#Cc1c(SCc2ccccc2)nc2c(c1C(F)(F)F)CCCC2 ZINC000003180661 209974139 /nfs/dbraw/zinc/97/41/39/209974139.db2.gz QDAGYVMIELMCRI-UHFFFAOYSA-N 0 0 348.393 5.143 50 30 EKEARN Clc1cc(/N=C/c2cccc3ccccc23)ccc1Br ZINC000003183601 563475872 /nfs/dbraw/zinc/47/58/72/563475872.db2.gz KSZGCQZORCXQET-RGVLZGJSSA-N 0 0 344.639 6.006 50 30 EKEARN CCCCCCCCC(=O)N[C@@H](C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000003184318 519972987 /nfs/dbraw/zinc/97/29/87/519972987.db2.gz CEDNUJDFKQCKRQ-SFHVURJKSA-N 0 0 349.518 6.186 50 30 EKEARN CCCCCCCCC(=O)N[C@H](C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000003184319 519973871 /nfs/dbraw/zinc/97/38/71/519973871.db2.gz CEDNUJDFKQCKRQ-GOSISDBHSA-N 0 0 349.518 6.186 50 30 EKEARN Oc1ccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000003187169 564004107 /nfs/dbraw/zinc/00/41/07/564004107.db2.gz DFPITYDLVNVKDZ-FYJGNVAPSA-N 0 0 330.412 5.420 50 30 EKEARN CCCCCCCCCCCCN1C(=O)c2ccc(F)cc2C1=O ZINC000003188537 520008157 /nfs/dbraw/zinc/00/81/57/520008157.db2.gz SJDWPLXBBMCCCE-UHFFFAOYSA-N 0 0 333.447 5.343 50 30 EKEARN Cc1cc(C=C2C(=O)CC(C)(C)CC2=O)c(C)n1-c1ccc(C)cc1C ZINC000003193090 564155838 /nfs/dbraw/zinc/15/58/38/564155838.db2.gz HHQCBGNCDFPQFL-UHFFFAOYSA-N 0 0 349.474 5.053 50 30 EKEARN CN1c2ccccc2C(C)(C)/C1=C\C=N\c1cccc2ccccc21 ZINC000003194858 209976860 /nfs/dbraw/zinc/97/68/60/209976860.db2.gz TTZMOVMXSIIASU-JJOJRSAGSA-N 0 0 326.443 5.854 50 30 EKEARN CCCCCCCOc1ccc(-c2ccc(C#N)c(Cl)n2)cc1 ZINC000003201398 563476528 /nfs/dbraw/zinc/47/65/28/563476528.db2.gz ZQWYYVYONRBYEU-UHFFFAOYSA-N 0 0 328.843 5.623 50 30 EKEARN O=[N+]([O-])c1ccc(OC(F)F)c(/C=N/c2cccc3ccccc32)c1 ZINC000003203803 563476459 /nfs/dbraw/zinc/47/64/59/563476459.db2.gz BDXITZNUZAKRPW-SRZZPIQSSA-N 0 0 342.301 5.100 50 30 EKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000003204524 209978222 /nfs/dbraw/zinc/97/82/22/209978222.db2.gz HDWWNBHEKQCBQA-NRFANRHFSA-N 0 0 348.490 5.332 50 30 EKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000003204525 564155918 /nfs/dbraw/zinc/15/59/18/564155918.db2.gz HDWWNBHEKQCBQA-OAQYLSRUSA-N 0 0 348.490 5.332 50 30 EKEARN S[C@]12CCCC[C@H]1[C@H](c1ccccc1)C=C(c1ccccc1)S2 ZINC000003205164 563476882 /nfs/dbraw/zinc/47/68/82/563476882.db2.gz NHPGGMMMZYRZIW-ZJOUEHCJSA-N 0 0 338.541 6.374 50 30 EKEARN Cc1ccc2nc(NC(=O)c3cccc(Br)c3)sc2c1 ZINC000003214034 563476826 /nfs/dbraw/zinc/47/68/26/563476826.db2.gz ZVUDTQNSMQQXKV-UHFFFAOYSA-N 0 0 347.237 5.004 50 30 EKEARN Cc1ccc2nc(NC(=O)c3ccc(Br)cc3)sc2c1 ZINC000003214037 564125057 /nfs/dbraw/zinc/12/50/57/564125057.db2.gz UZZYQLHMGQLFMH-UHFFFAOYSA-N 0 0 347.237 5.004 50 30 EKEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccccc2SC)c1 ZINC000003214764 209978892 /nfs/dbraw/zinc/97/88/92/209978892.db2.gz KHZCKBFAKMZBNC-UHFFFAOYSA-N 0 0 340.492 5.498 50 30 EKEARN Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2c1 ZINC000003218471 563477347 /nfs/dbraw/zinc/47/73/47/563477347.db2.gz YRGXIIBHOKCSOQ-UHFFFAOYSA-N 0 0 337.231 5.548 50 30 EKEARN Cc1cc(C)c(N=C(c2ccc(F)cc2)c2ccc(F)cc2)c(C)c1 ZINC000003219783 564156113 /nfs/dbraw/zinc/15/61/13/564156113.db2.gz LRTLTOCANLQBLW-UHFFFAOYSA-N 0 0 335.397 6.059 50 30 EKEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccccc2OCC)c1 ZINC000003227682 564156279 /nfs/dbraw/zinc/15/62/79/564156279.db2.gz AQAXAEXNFBBDDD-UHFFFAOYSA-N 0 0 338.451 5.175 50 30 aggregator EKEARN O=C(c1cccs1)C1=C2SC=C(c3ccccc3)N2CCCC1 ZINC000003235368 209983730 /nfs/dbraw/zinc/98/37/30/209983730.db2.gz RXGCSQOSNMLGOU-UHFFFAOYSA-N 0 0 339.485 5.374 50 30 EKEARN Cc1ccccc1C(=O)Nc1sc2c(c1C#N)CC(C)(C)C[C@@H]2C ZINC000003235413 564156370 /nfs/dbraw/zinc/15/63/70/564156370.db2.gz PRXUBMOJTKQDOT-ZDUSSCGKSA-N 0 0 338.476 5.256 50 30 EKEARN Cc1ccccc1C(=O)Nc1sc2c(c1C#N)CC(C)(C)C[C@H]2C ZINC000003235414 564156384 /nfs/dbraw/zinc/15/63/84/564156384.db2.gz PRXUBMOJTKQDOT-CYBMUJFWSA-N 0 0 338.476 5.256 50 30 EKEARN Cc1ccsc1/C=C/C1=Cc2c(C#N)c(N)sc2C(C)(C)C1 ZINC000003246423 564156491 /nfs/dbraw/zinc/15/64/91/564156491.db2.gz RUVCLUXYAMCIRP-SNAWJCMRSA-N 0 0 326.490 5.350 50 30 EKEARN FC(F)Oc1ccc(NC(=S)NC2CCCCCCC2)cc1 ZINC000003255487 564156640 /nfs/dbraw/zinc/15/66/40/564156640.db2.gz QGMPAVYYIUZMAZ-UHFFFAOYSA-N 0 0 328.428 5.099 50 30 EKEARN C=C(C)c1cccc(C(C)(C)NC(=O)NC(C)(C)CC(C)(C)C)c1 ZINC000003257575 564156668 /nfs/dbraw/zinc/15/66/68/564156668.db2.gz SQMBAULSKZYKBD-UHFFFAOYSA-N 0 0 330.516 5.469 50 30 EKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCc1ccccc1 ZINC000003260601 564156716 /nfs/dbraw/zinc/15/67/16/564156716.db2.gz DIXNJPLJYRTWJK-UHFFFAOYSA-N 0 0 345.423 5.066 50 30 EKEARN O=C1c2ccccc2OC/C1=C/c1cccc(Oc2ccccc2)c1 ZINC000003266758 209993650 /nfs/dbraw/zinc/99/36/50/209993650.db2.gz NLPYJQRGPAMLRX-LGMDPLHJSA-N 0 0 328.367 5.138 50 30 EKEARN N#Cc1c(-c2ccc(Br)cc2)csc1N1CCCCC1 ZINC000003267825 564156811 /nfs/dbraw/zinc/15/68/11/564156811.db2.gz FEBRMUJFGFDCFK-UHFFFAOYSA-N 0 0 347.281 5.040 50 30 EKEARN O=C1c2ccccc2OC/C1=C\c1ccc(Oc2ccccc2)cc1 ZINC000003307749 210003672 /nfs/dbraw/zinc/00/36/72/210003672.db2.gz DBKJYRCKPCREBC-SAPNQHFASA-N 0 0 328.367 5.138 50 30 EKEARN O=C1c2ccccc2OC/C1=C/c1ccc(Oc2ccccc2)cc1 ZINC000003307751 527134344 /nfs/dbraw/zinc/13/43/44/527134344.db2.gz DBKJYRCKPCREBC-VKAVYKQESA-N 0 0 328.367 5.138 50 30 EKEARN O=C(CCCc1c[nH]c2ccccc12)Nc1ccc2ccccc2c1 ZINC000003314590 210004988 /nfs/dbraw/zinc/00/49/88/210004988.db2.gz HJBRHIIDJGRZBL-UHFFFAOYSA-N 0 0 328.415 5.932 50 30 EKEARN N#Cc1ccccc1Oc1ncnc2scc(-c3ccccc3)c21 ZINC000003333307 210010879 /nfs/dbraw/zinc/01/08/79/210010879.db2.gz YEKSXZODJYWUSU-UHFFFAOYSA-N 0 0 329.384 5.022 50 30 EKEARN CCOc1cccc(/C=N/c2ccc(Oc3ccccc3)cc2)c1O ZINC000003333755 521316134 /nfs/dbraw/zinc/31/61/34/521316134.db2.gz RQROQEKVISLUGU-PXLXIMEGSA-N 0 0 333.387 5.334 50 30 EKEARN Cc1nc2scc(-c3cccs3)c2c(Oc2ccccc2C#N)n1 ZINC000003354370 210016134 /nfs/dbraw/zinc/01/61/34/210016134.db2.gz NGKAYJUJUVUBPQ-UHFFFAOYSA-N 0 0 349.440 5.392 50 30 EKEARN C=CCn1c(=S)[nH]nc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000003379418 210022277 /nfs/dbraw/zinc/02/22/77/210022277.db2.gz QESHQHWJPSSAJK-LBPRGKRZSA-N 0 0 333.526 5.006 50 30 EKEARN C=CCn1c(=S)[nH]nc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000003379420 210022088 /nfs/dbraw/zinc/02/20/88/210022088.db2.gz QESHQHWJPSSAJK-GFCCVEGCSA-N 0 0 333.526 5.006 50 30 EKEARN Cc1c2ccc3ccccc3c2oc1C(=O)Nc1ccc(C#N)cc1 ZINC000003398962 210027871 /nfs/dbraw/zinc/02/78/71/210027871.db2.gz ANDDTODTQBEIQX-UHFFFAOYSA-N 0 0 326.355 5.018 50 30 EKEARN Clc1ccc(-c2onc3ccc(C#Cc4ccccc4)cc32)cc1 ZINC000003399238 202153163 /nfs/dbraw/zinc/15/31/63/202153163.db2.gz VSUUMLOTDPPXMV-UHFFFAOYSA-N 0 0 329.786 5.548 50 30 EKEARN N#Cc1oc2ccccc2c1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003419173 210034814 /nfs/dbraw/zinc/03/48/14/210034814.db2.gz QVJZZHAQWJPYMU-UHFFFAOYSA-N 0 0 346.173 5.255 50 30 EKEARN Cc1c2ccc3ccccc3c2oc1C(=O)Nc1cccc(C#N)c1 ZINC000003428943 564158090 /nfs/dbraw/zinc/15/80/90/564158090.db2.gz JCROQJDPFQPJQR-UHFFFAOYSA-N 0 0 326.355 5.018 50 30 EKEARN Clc1ccc(CC/N=C/c2cc3ccccc3nc2Cl)cc1 ZINC000003445891 205662539 /nfs/dbraw/zinc/66/25/39/205662539.db2.gz XBTJARJLGDQFFO-CIAFOILYSA-N 0 0 329.230 5.203 50 30 EKEARN CCCCCC1CCC(C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC000003466658 210048363 /nfs/dbraw/zinc/04/83/63/210048363.db2.gz NYIIMCUQDTTYJB-UHFFFAOYSA-N 0 0 337.551 7.219 50 30 EKEARN CCCCCCCCOC(=O)c1sc2nc(C)c(C)c(C)c2c1N ZINC000003625141 520040959 /nfs/dbraw/zinc/04/09/59/520040959.db2.gz IGLSGCJHCNMDGO-UHFFFAOYSA-N 0 0 348.512 5.321 50 30 EKEARN CCCSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)c1C#N ZINC000003637014 564159265 /nfs/dbraw/zinc/15/92/65/564159265.db2.gz PZASPCZHQMLFBE-UHFFFAOYSA-N 0 0 336.382 5.450 50 30 EKEARN C=CCSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)c1C#N ZINC000003637015 210070192 /nfs/dbraw/zinc/07/01/92/210070192.db2.gz OZIXEMAWEGWCLF-UHFFFAOYSA-N 0 0 334.366 5.226 50 30 EKEARN CCSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C#N ZINC000003637060 210070975 /nfs/dbraw/zinc/07/09/75/210070975.db2.gz PPWRMGYMMNTXGK-UHFFFAOYSA-N 0 0 342.773 5.404 50 30 EKEARN CCCSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)c1C#N ZINC000003637075 210070986 /nfs/dbraw/zinc/07/09/86/210070986.db2.gz PIHNTHGTWBYZJN-UHFFFAOYSA-N 0 0 340.345 5.280 50 30 EKEARN COc1ccc(Oc2ccc(NC=C3CCC[C@H](C)C3=O)cc2)cc1 ZINC000003639237 210070141 /nfs/dbraw/zinc/07/01/41/210070141.db2.gz DVXSXSKPCVQFOC-RIBQPWQFSA-N 0 0 337.419 5.172 50 30 EKEARN COc1cccc(Oc2ccc(NC=C3CCC[C@H](C)C3=O)cc2)c1 ZINC000003639248 210070509 /nfs/dbraw/zinc/07/05/09/210070509.db2.gz IJQMSUIBAFRXKE-RIBQPWQFSA-N 0 0 337.419 5.172 50 30 EKEARN COc1ccccc1Oc1ccc(NC=C2CCC[C@H](C)C2=O)cc1 ZINC000003639257 201579327 /nfs/dbraw/zinc/57/93/27/201579327.db2.gz XTIMZFFERFLWSW-RIBQPWQFSA-N 0 0 337.419 5.172 50 30 EKEARN CCCCCCCCn1c2ccccc2nc1NCc1cccs1 ZINC000003643126 210070765 /nfs/dbraw/zinc/07/07/65/210070765.db2.gz OQQJHPFXKKBQPF-UHFFFAOYSA-N 0 0 341.524 6.070 50 30 EKEARN CCCCCCCCCOC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000003657489 520027499 /nfs/dbraw/zinc/02/74/99/520027499.db2.gz IUEJPWQVRUDHFT-UHFFFAOYSA-N 0 0 327.852 5.648 50 30 EKEARN Oc1cc2ccccc2cc1/C(=N\c1ccccc1)Nc1ccccc1 ZINC000003658852 564159281 /nfs/dbraw/zinc/15/92/81/564159281.db2.gz WJUBUZLRCVNOIT-UHFFFAOYSA-N 0 0 338.410 5.736 50 30 EKEARN C=CCOc1ccc(/C=N/c2ccc(Cl)cc2)c(OCC=C)c1 ZINC000003660951 564060158 /nfs/dbraw/zinc/06/01/58/564060158.db2.gz OQEVYSVCAULBEZ-KGENOOAVSA-N 0 0 327.811 5.220 50 30 EKEARN c1ccc2c(c1)Cc1ccc(N=C3c4ccccc4-c4ccccc43)cc1-2 ZINC000003663260 210072126 /nfs/dbraw/zinc/07/21/26/210072126.db2.gz MYTDLWMPGXKVRD-UHFFFAOYSA-N 0 0 343.429 6.407 50 30 EKEARN CCCCCCCC/C=C(/Cl)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000003664477 210071908 /nfs/dbraw/zinc/07/19/08/210071908.db2.gz MGQVHIJOSALRQZ-DTQAZKPQSA-N 0 0 339.907 6.139 50 30 EKEARN CCCCCCCC/C=C(\Cl)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000003664478 210071690 /nfs/dbraw/zinc/07/16/90/210071690.db2.gz MGQVHIJOSALRQZ-SSZFMOIBSA-N 0 0 339.907 6.139 50 30 EKEARN C(#Cc1cc(-c2ccccc2)nc(-c2ccccc2)c1)c1ccccc1 ZINC000003664738 210072192 /nfs/dbraw/zinc/07/21/92/210072192.db2.gz LIRXPIGYUJYMBF-UHFFFAOYSA-N 0 0 331.418 5.815 50 30 EKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/C=C/c3ccccc3)sc2C1 ZINC000003666516 210072372 /nfs/dbraw/zinc/07/23/72/210072372.db2.gz IVFVIKAGXCYQCC-FTTFRXLKSA-N 0 0 348.515 6.186 50 30 EKEARN N#Cc1c(NCSCc2ccccc2)sc2c1CCCCC2 ZINC000003667252 210072652 /nfs/dbraw/zinc/07/26/52/210072652.db2.gz SHWTYRZNWQDFRP-UHFFFAOYSA-N 0 0 328.506 5.191 50 30 EKEARN Cc1ccc(Cl)cc1NC(=CC(=O)c1ccccc1)C(F)(F)F ZINC000003669151 564060156 /nfs/dbraw/zinc/06/01/56/564060156.db2.gz NSMJMPLVLHGDIU-MHWRWJLKSA-N 0 0 339.744 5.389 50 30 EKEARN CCCCCCCCSCSC(=NC#N)Nc1ccccc1 ZINC000003670061 520046129 /nfs/dbraw/zinc/04/61/29/520046129.db2.gz VKTLEKQKLLRTTI-UHFFFAOYSA-N 0 0 335.542 5.529 50 30 EKEARN Cc1cc(/C=N/OCc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000003670917 210073396 /nfs/dbraw/zinc/07/33/96/210073396.db2.gz WURTYIBIKWBXER-LPYMAVHISA-N 0 0 338.838 5.298 50 30 EKEARN CCc1ccc(/N=C2\c3cc(C)cc4c3N(C2=O)C(C)(C)C=C4C)cc1 ZINC000003765220 210073739 /nfs/dbraw/zinc/07/37/39/210073739.db2.gz PZLBXSPWVKVIAC-HIXSDJFHSA-N 0 0 344.458 5.220 50 30 EKEARN N#Cc1c2c(sc1/N=C/c1ccc(N3CCCCC3)cc1)CCCC2 ZINC000003772012 135660979 /nfs/dbraw/zinc/66/09/79/135660979.db2.gz PRTDKXCHRRPAOC-HZHRSRAPSA-N 0 0 349.503 5.239 50 30 EKEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@]21C ZINC000003843611 563488155 /nfs/dbraw/zinc/48/81/55/563488155.db2.gz IVXCPPFOKIYBRE-OZXBTWHLSA-N 0 0 328.540 5.420 50 30 EKEARN C#C[C@]1(O)CCC(c2ccccc2)(c2ccccc2)CC12CCCC2 ZINC000003844256 210078457 /nfs/dbraw/zinc/07/84/57/210078457.db2.gz OMUXGHBMBICLHL-DEOSSOPVSA-N 0 0 330.471 5.081 50 30 EKEARN C#C[C@@]1(O)CCC(c2ccccc2)(c2ccccc2)CC12CCCC2 ZINC000003844257 563997602 /nfs/dbraw/zinc/99/76/02/563997602.db2.gz OMUXGHBMBICLHL-XMMPIXPASA-N 0 0 330.471 5.081 50 30 EKEARN C=C(C)CCC[C@H](C)CCN(C(=O)c1ccccc1)c1ccccc1 ZINC000003845679 518589937 /nfs/dbraw/zinc/58/99/37/518589937.db2.gz ZDKVRPUJTHVKLG-FQEVSTJZSA-N 0 0 335.491 6.106 50 30 EKEARN C=C(C)CCC[C@@H](C)CCN(C(=O)c1ccccc1)c1ccccc1 ZINC000003845680 518589809 /nfs/dbraw/zinc/58/98/09/518589809.db2.gz ZDKVRPUJTHVKLG-HXUWFJFHSA-N 0 0 335.491 6.106 50 30 EKEARN Cc1nc(CC#N)sc1/N=N/c1c(Cl)cc(Cl)cc1Cl ZINC000003849315 563489826 /nfs/dbraw/zinc/48/98/26/563489826.db2.gz LJYOMWZHEPDZOI-VHEBQXMUSA-N 0 0 345.642 5.893 50 30 EKEARN C=C1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](OC(C)=O)CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000003849887 564130104 /nfs/dbraw/zinc/13/01/04/564130104.db2.gz USISGGVIAQLXQF-NWDASVTGSA-N 0 0 330.512 5.517 50 30 EKEARN C=C1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4OC(C)=O)[C@H]3CC[C@H]2C1 ZINC000003849889 564130108 /nfs/dbraw/zinc/13/01/08/564130108.db2.gz USISGGVIAQLXQF-BZDFKLGJSA-N 0 0 330.512 5.517 50 30 EKEARN CC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000003881394 210084064 /nfs/dbraw/zinc/08/40/64/210084064.db2.gz NOSSBHBMUGGCBX-OTAQKNNKSA-N 0 0 342.523 5.360 50 30 EKEARN Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2Cl)cc1 ZINC000003882459 210083263 /nfs/dbraw/zinc/08/32/63/210083263.db2.gz QJCSIRGIDBQVKK-UHFFFAOYSA-N 0 0 345.833 5.220 50 30 EKEARN S[C@]12CCCC[C@@H]1[C@H](c1ccccc1)C=C(c1ccccc1)S2 ZINC000003893918 210085225 /nfs/dbraw/zinc/08/52/25/210085225.db2.gz NHPGGMMMZYRZIW-ZVDOUQERSA-N 0 0 338.541 6.374 50 30 EKEARN S[C@]12CCCC[C@@H]1[C@@H](c1ccccc1)C=C(c1ccccc1)S2 ZINC000003893919 210084944 /nfs/dbraw/zinc/08/49/44/210084944.db2.gz NHPGGMMMZYRZIW-SBHAEUEKSA-N 0 0 338.541 6.374 50 30 EKEARN O=C1/C(=C/c2cccc(Cl)c2)CCC/C1=C\c1cccc(Cl)c1 ZINC000003894978 210086095 /nfs/dbraw/zinc/08/60/95/210086095.db2.gz YLYVKSBWJVLOJI-OTYYAQKOSA-N 0 0 343.253 6.213 50 30 EKEARN CCc1ccc(/C=C2/CCC/C(=C/c3ccc(CC)cc3)C2=O)cc1 ZINC000003895163 210086566 /nfs/dbraw/zinc/08/65/66/210086566.db2.gz BIHYZRUJHRAMAR-IDUDEYGOSA-N 0 0 330.471 6.031 50 30 EKEARN CC(C)(C)/C(=N/C(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000003895233 210086332 /nfs/dbraw/zinc/08/63/32/210086332.db2.gz RXCUZDSOMINZSC-CAPFRKAQSA-N 0 0 344.252 5.125 50 30 EKEARN CCn1c2ccccc2c2cc(/C=C3\Cc4ccccc4C3=O)ccc21 ZINC000003895312 564057871 /nfs/dbraw/zinc/05/78/71/564057871.db2.gz GSBCMJJABAJSOT-QGOAFFKASA-N 0 0 337.422 5.637 50 30 EKEARN CCCCOc1ccc(/C=C2\Cc3ccccc3C2=O)cc1OCC ZINC000003895313 520854781 /nfs/dbraw/zinc/85/47/81/520854781.db2.gz ODRSJSSMVLVQRX-QGOAFFKASA-N 0 0 336.431 5.087 50 30 EKEARN CCCCCOc1ccc(/C=C2\CC[C@H](C3CCCC3)C2=O)cc1 ZINC000003895346 520250169 /nfs/dbraw/zinc/25/01/69/520250169.db2.gz LYVHQZHGZPSUJM-WEIUTZTHSA-N 0 0 326.480 5.808 50 30 EKEARN CCCCCOc1ccc(/C=C2\CC[C@@H](C3CCCC3)C2=O)cc1 ZINC000003895347 520248129 /nfs/dbraw/zinc/24/81/29/520248129.db2.gz LYVHQZHGZPSUJM-HCUHUEOSSA-N 0 0 326.480 5.808 50 30 EKEARN Cc1cc(/C=C2\CC[C@H](C3CCCC3)C2=O)c(C)n1-c1ccccc1 ZINC000003895351 210086013 /nfs/dbraw/zinc/08/60/13/210086013.db2.gz BSNBVVHNBFFNFL-JIKIWWBOSA-N 0 0 333.475 5.647 50 30 EKEARN Cc1cc(/C=C2\CC[C@@H](C3CCCC3)C2=O)c(C)n1-c1ccccc1 ZINC000003895352 210086648 /nfs/dbraw/zinc/08/66/48/210086648.db2.gz BSNBVVHNBFFNFL-SIWPHUPXSA-N 0 0 333.475 5.647 50 30 EKEARN Cc1cc(/C=C2\CCc3ccccc3C2=O)c(C)n1-c1ccccc1 ZINC000003895358 564057859 /nfs/dbraw/zinc/05/78/59/564057859.db2.gz OWSDSLMFNILWNR-XDJHFCHBSA-N 0 0 327.427 5.307 50 30 EKEARN CCC(C)(C)C1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000003895380 210086437 /nfs/dbraw/zinc/08/64/37/210086437.db2.gz VZZROCBHGWVRQZ-YHARCJFQSA-N 0 0 344.498 6.569 50 30 EKEARN CCC1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000003895408 210086180 /nfs/dbraw/zinc/08/61/80/210086180.db2.gz IMOYZFIOSADEFO-JIBZRZDWSA-N 0 0 338.397 5.821 50 30 EKEARN CCC1C/C(=C\c2ccc(C)cc2)C(=O)/C(=C/c2ccc(C)cc2)C1 ZINC000003895409 210085967 /nfs/dbraw/zinc/08/59/67/210085967.db2.gz URMRNVDSTOWYGD-QAOSGDJLSA-N 0 0 330.471 6.160 50 30 EKEARN CCC1C/C(=C\c2sccc2C)C(=O)/C(=C/c2sccc2C)C1 ZINC000003895439 210085951 /nfs/dbraw/zinc/08/59/51/210085951.db2.gz MIXQPXXGAGXHSL-MAEUFBSDSA-N 0 0 342.529 6.283 50 30 EKEARN O=C1/C(=C/c2ccc(F)c(F)c2)CC/C1=C\c1ccc(F)c(F)c1 ZINC000003895443 210086752 /nfs/dbraw/zinc/08/67/52/210086752.db2.gz LQAJSJHJZPIQBH-FNCQTZNRSA-N 0 0 332.296 5.073 50 30 EKEARN O=C1/C(=C/c2ccc(F)c(F)c2)CCC/C1=C\c1ccc(F)c(F)c1 ZINC000003895444 210086183 /nfs/dbraw/zinc/08/61/83/210086183.db2.gz ZHPULSQZIKIASZ-VOMDNODZSA-N 0 0 346.323 5.463 50 30 EKEARN CN(C)c1ccc(C(=O)/C=C/c2ccc3oc4ccccc4c3c2)cc1 ZINC000003895494 210086925 /nfs/dbraw/zinc/08/69/25/210086925.db2.gz BCTZMSUOZDAOTJ-NTUHNPAUSA-N 0 0 341.410 5.548 50 30 EKEARN Oc1ccccc1/C=N/c1ccc(CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000003896888 210086281 /nfs/dbraw/zinc/08/62/81/210086281.db2.gz PGKNAJDJAFFSAL-PCLIKHOPSA-N 0 0 345.486 5.902 50 30 EKEARN Clc1cc(Cl)c(N=NC(Cl)c2ccccc2)c(Cl)c1 ZINC000003896957 210086745 /nfs/dbraw/zinc/08/67/45/210086745.db2.gz QVMATSPQIBFRPZ-UYRXBGFRSA-N 0 0 334.033 5.659 50 30 EKEARN c1ccc2c(c1)-c1ccccc1C2=Nn1c2ccccc2c2ccccc21 ZINC000003897037 210086843 /nfs/dbraw/zinc/08/68/43/210086843.db2.gz RTRDRDBYGBZOHP-UHFFFAOYSA-N 0 0 344.417 6.076 50 30 EKEARN COc1ccc(N=NC(N=Nc2ccccc2)c2ccccc2)cc1 ZINC000003897308 564057884 /nfs/dbraw/zinc/05/78/84/564057884.db2.gz CCCNXDPMLWXWML-JVVTXYFXSA-N 0 0 330.391 5.253 50 30 EKEARN Clc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000003897831 564125087 /nfs/dbraw/zinc/12/50/87/564125087.db2.gz UYHZYEPUVNIGGO-CNHKJKLMSA-N 0 0 334.033 5.746 50 30 EKEARN O=[N+]([O-])c1cccc(C=NNc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000003897833 210087606 /nfs/dbraw/zinc/08/76/06/210087606.db2.gz UFXVZXGQTWHRLS-REZTVBANSA-N 0 0 344.585 5.001 50 30 EKEARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccccc2)cc1 ZINC000003897911 210087531 /nfs/dbraw/zinc/08/75/31/210087531.db2.gz KYKDUQLDJWKYBL-OVCLIPMQSA-N 0 0 345.354 5.283 50 30 EKEARN O=C(/C=C/c1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000003897912 210088258 /nfs/dbraw/zinc/08/82/58/210088258.db2.gz MGTSFUGVJYPJBE-OVCLIPMQSA-N 0 0 334.802 6.028 50 30 EKEARN COc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000003898577 564159630 /nfs/dbraw/zinc/15/96/30/564159630.db2.gz JCTILXXPVIHINY-QGMBQPNBSA-N 0 0 329.614 5.101 50 30 EKEARN O=C(/C=C/c1ccc(Cl)cc1)c1ccc(Nc2ccccc2)cc1 ZINC000003898790 210087640 /nfs/dbraw/zinc/08/76/40/210087640.db2.gz OTYMBEUTMYYVGC-OVCLIPMQSA-N 0 0 333.818 5.980 50 30 EKEARN C=CCN1N=C(c2ccccc2)SC(C)=C1c1ccc(Cl)cc1 ZINC000003898900 564159628 /nfs/dbraw/zinc/15/96/28/564159628.db2.gz RVTCUEDXALZMNK-UHFFFAOYSA-N 0 0 340.879 5.625 50 30 EKEARN CC1(C)Cc2nc(-c3ccccc3)c(-c3ccccc3)cc2/C(=N/O)C1 ZINC000003902395 210088605 /nfs/dbraw/zinc/08/86/05/210088605.db2.gz GJHWDFOLLWNIQM-NJNXFGOHSA-N 0 0 342.442 5.566 50 30 EKEARN CC(C)(C)c1ccc(NN=C(c2ccccc2)c2ccccn2)cc1 ZINC000003908902 210091408 /nfs/dbraw/zinc/09/14/08/210091408.db2.gz RNDJCRBJIBPMPM-DAFNUICNSA-N 0 0 329.447 5.244 50 30 EKEARN CC(C)(C)c1ccc(NN=C(c2ccccc2)c2ccncc2)cc1 ZINC000003908906 564057918 /nfs/dbraw/zinc/05/79/18/564057918.db2.gz BTHJMWMERPMQJR-DAFNUICNSA-N 0 0 329.447 5.244 50 30 EKEARN Cc1cccc(NN=C(c2ccccc2)c2ccc(Cl)cc2)c1C ZINC000003909000 210090827 /nfs/dbraw/zinc/09/08/27/210090827.db2.gz NXDHPORPBGOFBZ-DARPEHSRSA-N 0 0 334.850 5.821 50 30 EKEARN CCc1ccccc1NN=C(c1ccccc1)c1ccc(Cl)cc1 ZINC000003909094 564057936 /nfs/dbraw/zinc/05/79/36/564057936.db2.gz WEFBLNBFQYMVMK-FLFQWRMESA-N 0 0 334.850 5.767 50 30 EKEARN Cc1ccc(NN=C(c2ccccc2)c2ccc(Cl)cc2)cc1C ZINC000003909157 210090950 /nfs/dbraw/zinc/09/09/50/210090950.db2.gz DHZHZIQXZVUUFU-FLFQWRMESA-N 0 0 334.850 5.821 50 30 EKEARN CC(=NNc1ccc(F)cc1)c1sc2ccc(Cl)cc2c1C ZINC000003909189 518464843 /nfs/dbraw/zinc/46/48/43/518464843.db2.gz QKRPMJSUYDSIFN-RGVLZGJSSA-N 0 0 332.831 5.838 50 30 EKEARN Cc1ccsc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003909349 210090974 /nfs/dbraw/zinc/09/09/74/210090974.db2.gz JHHIIJCVWFYCBU-OEAKJJBVSA-N 0 0 335.516 6.275 50 30 EKEARN C(=NN=c1[nH]c2ccccc2s1)c1cccc(Oc2ccccc2)c1 ZINC000003909689 518376767 /nfs/dbraw/zinc/37/67/67/518376767.db2.gz UHEFCPUYMNTBLP-KGENOOAVSA-N 0 0 345.427 5.535 50 30 EKEARN c1coc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 ZINC000003961030 518376276 /nfs/dbraw/zinc/37/62/76/518376276.db2.gz VZJSPNXOUPOFCW-KGENOOAVSA-N 0 0 345.427 5.516 50 30 EKEARN C=C[C@@](C)(O)CC[C@H]1C(=C)C[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C ZINC000003979073 210097150 /nfs/dbraw/zinc/09/71/50/210097150.db2.gz WCNCDVQMEQJFGH-TZWCSUAMSA-N 0 0 348.527 5.044 50 30 EKEARN COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000003995759 210097621 /nfs/dbraw/zinc/09/76/21/210097621.db2.gz NYGOSCWEGSOKNR-RIYZIHGNSA-N 0 0 344.410 5.267 50 30 EKEARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 ZINC000003995762 210097841 /nfs/dbraw/zinc/09/78/41/210097841.db2.gz BEZJGFOFZTUKKT-OVCLIPMQSA-N 0 0 329.355 5.158 50 30 EKEARN N#Cc1ccc(/C=C/c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000004002815 564159948 /nfs/dbraw/zinc/15/99/48/564159948.db2.gz BISVZBNAVUGLBM-CCEZHUSRSA-N 0 0 335.410 5.127 50 30 EKEARN O=C1CCCC2=C1[C@H](c1ccc(F)cc1)Nc1ccc3ncccc3c12 ZINC000004006147 210098963 /nfs/dbraw/zinc/09/89/63/210098963.db2.gz UKAIAWABJOKUOR-QFIPXVFZSA-N 0 0 344.389 5.047 50 30 EKEARN O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)Nc1ccc3ncccc3c12 ZINC000004006148 210099009 /nfs/dbraw/zinc/09/90/09/210099009.db2.gz UKAIAWABJOKUOR-JOCHJYFZSA-N 0 0 344.389 5.047 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C1=C(C2)C(=O)CC(C)(C)C1 ZINC000004006262 564159957 /nfs/dbraw/zinc/15/99/57/564159957.db2.gz PGGGUYBAGGLYGQ-UHFFFAOYSA-N 0 0 349.474 5.183 50 30 EKEARN Cc1[nH]c2ccccc2c1C(=O)/C=C/c1ccc(Br)cc1 ZINC000004007022 210098937 /nfs/dbraw/zinc/09/89/37/210098937.db2.gz YZLIEVIAEWKVLA-DHZHZOJOSA-N 0 0 340.220 5.135 50 30 EKEARN CCN(CC)c1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004007702 210099020 /nfs/dbraw/zinc/09/90/20/210099020.db2.gz DPYWGNNUIXQONF-JXMROGBWSA-N 0 0 337.507 5.332 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccccc1F ZINC000004008124 210099248 /nfs/dbraw/zinc/09/92/48/210099248.db2.gz AIZKGDYJSUOGAD-FQEVSTJZSA-N 0 0 336.410 5.048 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccccc1F ZINC000004008125 210098646 /nfs/dbraw/zinc/09/86/46/210098646.db2.gz AIZKGDYJSUOGAD-HXUWFJFHSA-N 0 0 336.410 5.048 50 30 EKEARN Cn1nc(-c2ccccc2)c(C#N)c1Sc1ccc(C(C)(C)C)cc1 ZINC000004013255 210099779 /nfs/dbraw/zinc/09/97/79/210099779.db2.gz OXCNVFZEYSOSAL-UHFFFAOYSA-N 0 0 347.487 5.407 50 30 EKEARN COc1ccc(/C=C/C(=O)c2sc(-c3ccccc3)nc2C)cc1 ZINC000004014240 210100449 /nfs/dbraw/zinc/10/04/49/210100449.db2.gz CDWXQQCOZHDTJF-JLHYYAGUSA-N 0 0 335.428 5.023 50 30 EKEARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1cccs1 ZINC000004014263 210100294 /nfs/dbraw/zinc/10/02/94/210100294.db2.gz WIVXUXDIUSIMGS-CMDGGOBGSA-N 0 0 345.876 5.730 50 30 EKEARN C=CCc1c(C)nc(-c2ccccc2)nc1N=NC(C)c1ccccc1 ZINC000004016932 210100643 /nfs/dbraw/zinc/10/06/43/210100643.db2.gz CWZHXNXJIFCDGG-XYGWBWBKSA-N 0 0 342.446 5.017 50 30 EKEARN COc1c(Cl)cc(Cl)cc1/C=N/c1cccc2ccccc21 ZINC000004017667 210102178 /nfs/dbraw/zinc/10/21/78/210102178.db2.gz DNYDBGPVPCRMKJ-SRZZPIQSSA-N 0 0 330.214 5.906 50 30 EKEARN Clc1ccc(C=NNc2ccc(Br)cc2)c(Cl)c1 ZINC000004017778 564060909 /nfs/dbraw/zinc/06/09/09/564060909.db2.gz FIVMQCFHPILTHZ-CAOOACKPSA-N 0 0 344.039 5.202 50 30 EKEARN Cc1nc2c(cc1C(=O)/C=C/c1cccc3ccccc13)CCCC2 ZINC000004020356 563492073 /nfs/dbraw/zinc/49/20/73/563492073.db2.gz IALUVYBIDYZNGM-BUHFOSPRSA-N 0 0 327.427 5.318 50 30 EKEARN COc1ccc(/C=C/C(=O)c2ccc3[nH]c4ccccc4c3c2)cc1 ZINC000004023623 210101573 /nfs/dbraw/zinc/10/15/73/210101573.db2.gz UWJKYQVLHFRRED-MDWZMJQESA-N 0 0 327.383 5.226 50 30 EKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C\CC/C(C)=N/O ZINC000004023775 210101950 /nfs/dbraw/zinc/10/19/50/210101950.db2.gz GKFSDTRKPOZJAE-RQQLVBBRSA-N 0 0 345.571 7.142 50 30 EKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C\CC/C(C)=N/O ZINC000004023776 210101333 /nfs/dbraw/zinc/10/13/33/210101333.db2.gz GKFSDTRKPOZJAE-SUERUKRBSA-N 0 0 345.571 7.142 50 30 EKEARN O=C(C=CNCc1ccc(Cl)cc1)c1cc(Cl)sc1Cl ZINC000004025018 210101963 /nfs/dbraw/zinc/10/19/63/210101963.db2.gz XUIQWSRMZYDONB-AATRIKPKSA-N 0 0 346.666 5.195 50 30 EKEARN C=C[C@]1(C)CC[C@@H]2[C@H](O1)c1ccccc1O[C@]2(C)CCC=C(C)C ZINC000004025213 210101561 /nfs/dbraw/zinc/10/15/61/210101561.db2.gz LXELBISQABCQRG-ZHHKINOHSA-N 0 0 326.480 5.997 50 30 EKEARN C=C[C@]1(C)CC[C@@H]2[C@H](O1)c1ccccc1O[C@@]2(C)CCC=C(C)C ZINC000004025215 210101468 /nfs/dbraw/zinc/10/14/68/210101468.db2.gz LXELBISQABCQRG-NMIHRBCNSA-N 0 0 326.480 5.997 50 30 EKEARN Fc1ccc(-c2csc(N=NCc3ccc(Cl)cc3)n2)cc1 ZINC000004039984 210106368 /nfs/dbraw/zinc/10/63/68/210106368.db2.gz HQMQRYDTESVACP-DJKKODMXSA-N 0 0 331.803 5.049 50 30 EKEARN N#Cc1ccc(-c2ccccc2Cl)nc1Oc1ccccc1Cl ZINC000004050065 210107155 /nfs/dbraw/zinc/10/71/55/210107155.db2.gz MDNHLXGWSBNIGH-UHFFFAOYSA-N 0 0 341.197 5.719 50 30 EKEARN N#Cc1ccc(-c2ccccc2Cl)nc1Oc1ccc(F)cc1F ZINC000004050069 210106989 /nfs/dbraw/zinc/10/69/89/210106989.db2.gz FYPPAHHBCUIPQJ-UHFFFAOYSA-N 0 0 342.732 5.344 50 30 EKEARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1ccco1 ZINC000004050406 564160266 /nfs/dbraw/zinc/16/02/66/564160266.db2.gz IIMVBGRYFFZLCG-CMDGGOBGSA-N 0 0 329.808 5.261 50 30 EKEARN C=CCOC(=O)Nc1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000004051434 210108966 /nfs/dbraw/zinc/10/89/66/210108966.db2.gz GNOKWLWDWJTXEE-UHFFFAOYSA-N 0 0 338.794 5.290 50 30 EKEARN Cc1cc(C(F)(F)F)c(C#N)c(Oc2ccc3ccccc3c2)n1 ZINC000004052749 564061689 /nfs/dbraw/zinc/06/16/89/564061689.db2.gz PBDDZWTZNNSLLY-UHFFFAOYSA-N 0 0 328.293 5.226 50 30 EKEARN CSc1nc2ccccc2cc1/C=C/C(=O)c1ccc(Cl)cc1 ZINC000004053154 210109121 /nfs/dbraw/zinc/10/91/21/210109121.db2.gz SCIDBDXNCKIANW-DHZHZOJOSA-N 0 0 339.847 5.506 50 30 EKEARN Cc1cc(NC2=C(Cl)C(=O)c3ccccc3C2=O)ccc1C(C)C ZINC000004054504 201587702 /nfs/dbraw/zinc/58/77/02/201587702.db2.gz KGJUXGZRGUSRFN-UHFFFAOYSA-N 0 0 339.822 5.060 50 30 EKEARN N#Cc1sc2ccccc2c1OCc1ccc(Cl)c(Cl)c1 ZINC000004060188 564160254 /nfs/dbraw/zinc/16/02/54/564160254.db2.gz HPKWHPGCSMQCAU-UHFFFAOYSA-N 0 0 334.227 5.659 50 30 EKEARN COc1ccc(/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 ZINC000004064219 210111288 /nfs/dbraw/zinc/11/12/88/210111288.db2.gz LMONJZBWBMMZPU-OEAKJJBVSA-N 0 0 332.447 5.470 50 30 EKEARN Cc1ccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000004064627 524915419 /nfs/dbraw/zinc/91/54/19/524915419.db2.gz DMTBSHREHVZJEF-CCEZHUSRSA-N 0 0 327.427 5.779 50 30 EKEARN CC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000004073849 564160355 /nfs/dbraw/zinc/16/03/55/564160355.db2.gz JNABCHQTKFQDJL-OTAQKNNKSA-N 0 0 340.507 5.136 50 30 EKEARN O=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 ZINC000004076120 210113258 /nfs/dbraw/zinc/11/32/58/210113258.db2.gz DFVWAEMSSLABBF-JXMROGBWSA-N 0 0 343.209 6.150 50 30 EKEARN COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000004076129 210113884 /nfs/dbraw/zinc/11/38/84/210113884.db2.gz WUIHYZIMCGPHDB-ZRDIBKRKSA-N 0 0 338.790 5.505 50 30 EKEARN O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccs1 ZINC000004076141 210113538 /nfs/dbraw/zinc/11/35/38/210113538.db2.gz RUYFKMQDALRWSJ-SOFGYWHQSA-N 0 0 348.345 5.923 50 30 EKEARN O=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccco1 ZINC000004076146 563493568 /nfs/dbraw/zinc/49/35/68/563493568.db2.gz NMVFBKZLQQECRT-QPJJXVBHSA-N 0 0 333.170 5.743 50 30 EKEARN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccco1 ZINC000004076147 210113576 /nfs/dbraw/zinc/11/35/76/210113576.db2.gz IMJDWSVAHVZKHU-SOFGYWHQSA-N 0 0 333.170 5.743 50 30 EKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccco1 ZINC000004076149 210113127 /nfs/dbraw/zinc/11/31/27/210113127.db2.gz GIHHGYAQWRHXOP-QPJJXVBHSA-N 0 0 333.170 5.743 50 30 EKEARN O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccco1 ZINC000004076151 210113452 /nfs/dbraw/zinc/11/34/52/210113452.db2.gz ORSYIVDUJLVHHP-VQHVLOKHSA-N 0 0 343.176 5.198 50 30 EKEARN O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccco1 ZINC000004076156 563493571 /nfs/dbraw/zinc/49/35/71/563493571.db2.gz LPXJQXRHNKHUNP-SOFGYWHQSA-N 0 0 332.277 5.455 50 30 EKEARN O=C(/C=C/c1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004076343 210113584 /nfs/dbraw/zinc/11/35/84/210113584.db2.gz KTPIUKVFNGQVRL-ZZXKWVIFSA-N 0 0 345.280 5.248 50 30 EKEARN C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC[C@H](C)O ZINC000004081360 210114392 /nfs/dbraw/zinc/11/43/92/210114392.db2.gz DEFBNRDMYPYCCS-HRDRHIAYSA-N 0 0 332.572 6.673 50 30 EKEARN C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC[C@@H](C)O ZINC000004081361 210114615 /nfs/dbraw/zinc/11/46/15/210114615.db2.gz DEFBNRDMYPYCCS-IRFMZCNHSA-N 0 0 332.572 6.673 50 30 EKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC[C@H](C)O ZINC000004081362 205679981 /nfs/dbraw/zinc/67/99/81/205679981.db2.gz DEFBNRDMYPYCCS-FNBOPYFCSA-N 0 0 332.572 6.673 50 30 EKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CC[C@@H](C)O ZINC000004081365 210115231 /nfs/dbraw/zinc/11/52/31/210115231.db2.gz DEFBNRDMYPYCCS-DIEINZNXSA-N 0 0 332.572 6.673 50 30 EKEARN Cc1ccc(N=NC(N=Nc2nc3ccccc3s2)C(C)C)cc1 ZINC000004084069 525973236 /nfs/dbraw/zinc/97/32/36/525973236.db2.gz NKNQEZIKJOCOSC-QMHWDSPHSA-N 0 0 337.452 5.192 50 30 EKEARN C/C(=N\OC(=O)c1ccc(C)cc1)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000004084787 518470647 /nfs/dbraw/zinc/47/06/47/518470647.db2.gz ABRMQAQDGKDZDO-AGCNJRDRSA-N 0 0 335.447 5.455 50 30 EKEARN C/C(=N\OC(=O)c1ccc(C)cc1)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000004084788 518470305 /nfs/dbraw/zinc/47/03/05/518470305.db2.gz ABRMQAQDGKDZDO-NNYFERJJSA-N 0 0 335.447 5.455 50 30 EKEARN C/C(=N\OC(=O)c1ccc(C)cc1)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000004084791 518471081 /nfs/dbraw/zinc/47/10/81/518471081.db2.gz ABRMQAQDGKDZDO-NPKALDHYSA-N 0 0 335.447 5.455 50 30 EKEARN C/C(=N\OC(=O)c1ccc(C)cc1)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000004084796 518470902 /nfs/dbraw/zinc/47/09/02/518470902.db2.gz ABRMQAQDGKDZDO-HIZWDZHASA-N 0 0 335.447 5.455 50 30 EKEARN C/C(=N\OCc1ccccc1F)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000004084835 518472302 /nfs/dbraw/zinc/47/23/02/518472302.db2.gz FDRSCKXBTVRVSF-VSJIRZMASA-N 0 0 325.427 5.645 50 30 EKEARN C/C(=N\OCc1ccccc1F)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000004084839 518471663 /nfs/dbraw/zinc/47/16/63/518471663.db2.gz FDRSCKXBTVRVSF-RHVVXLNXSA-N 0 0 325.427 5.645 50 30 EKEARN C/C(=N\OCc1ccccc1F)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000004084848 518471941 /nfs/dbraw/zinc/47/19/41/518471941.db2.gz FDRSCKXBTVRVSF-MTAMYTDCSA-N 0 0 325.427 5.645 50 30 EKEARN C/C(=N\OC(=O)c1cccs1)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000004084864 518471093 /nfs/dbraw/zinc/47/10/93/518471093.db2.gz PLDJQHRXNHLZTA-LWYMUBTISA-N 0 0 327.449 5.208 50 30 EKEARN C/C(=N\OC(=O)c1cccs1)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000004084866 518470171 /nfs/dbraw/zinc/47/01/71/518470171.db2.gz PLDJQHRXNHLZTA-JVCUKQJDSA-N 0 0 327.449 5.208 50 30 EKEARN C/C(=N\OC(=O)c1cccs1)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000004084869 518470227 /nfs/dbraw/zinc/47/02/27/518470227.db2.gz PLDJQHRXNHLZTA-CHXORGPNSA-N 0 0 327.449 5.208 50 30 EKEARN C/C(=N\OCCOc1ccccc1)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000004084873 518472749 /nfs/dbraw/zinc/47/27/49/518472749.db2.gz ORKWGMPNXNPHAW-AVQLUFSJSA-N 0 0 337.463 5.385 50 30 EKEARN C/C(=N\OCCOc1ccccc1)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000004084874 518471584 /nfs/dbraw/zinc/47/15/84/518471584.db2.gz ORKWGMPNXNPHAW-WGEODTKDSA-N 0 0 337.463 5.385 50 30 EKEARN C/C(=N\OCCOc1ccccc1)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000004084876 518472312 /nfs/dbraw/zinc/47/23/12/518472312.db2.gz ORKWGMPNXNPHAW-DSBNWKJFSA-N 0 0 337.463 5.385 50 30 EKEARN C/C(=N\OCCOc1ccccc1)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000004084880 518471629 /nfs/dbraw/zinc/47/16/29/518471629.db2.gz ORKWGMPNXNPHAW-CPXKFIDQSA-N 0 0 337.463 5.385 50 30 EKEARN Clc1ccc(/N=C/C2=C(Cl)c3ccccc3CC2)c(Cl)c1 ZINC000004091926 258050818 /nfs/dbraw/zinc/05/08/18/258050818.db2.gz UIPUXWTUECFDLN-UFFVCSGVSA-N 0 0 336.649 6.292 50 30 EKEARN Cc1ccc(NC(=O)O/N=C/C2=C(Cl)c3ccccc3CC2)cc1 ZINC000004091928 564062046 /nfs/dbraw/zinc/06/20/46/564062046.db2.gz XKTJSZVOFDDAJK-CIAFOILYSA-N 0 0 340.810 5.126 50 30 EKEARN Cc1nc(-c2ccccc2)sc1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000004092439 210119421 /nfs/dbraw/zinc/11/94/21/210119421.db2.gz LZBRVPQAZGBJMU-FMIVXFBMSA-N 0 0 339.847 5.668 50 30 EKEARN CCCCC#Cc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000004092923 519904334 /nfs/dbraw/zinc/90/43/34/519904334.db2.gz DGZZFCLMOOJXGJ-UHFFFAOYSA-N 0 0 346.257 5.787 50 30 EKEARN CCCC(N=Nc1nc2ccccc2s1)N=Nc1cccc(C)c1 ZINC000004099385 519861300 /nfs/dbraw/zinc/86/13/00/519861300.db2.gz XCKZONVWLZTCCR-QMHWDSPHSA-N 0 0 337.452 5.336 50 30 EKEARN N#CCC(=O)c1ccccc1Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC000004105366 210120457 /nfs/dbraw/zinc/12/04/57/210120457.db2.gz DHYYXVLGMYEIMX-UHFFFAOYSA-N 0 0 339.700 5.247 50 30 EKEARN C=CCn1c(C)c(C=NN=c2[nH]c3ccccc3s2)c2ccccc21 ZINC000004107668 564062820 /nfs/dbraw/zinc/06/28/20/564062820.db2.gz FBGNZJFUIUAOKM-FYJGNVAPSA-N 0 0 346.459 5.191 50 30 EKEARN O=C(ON=C1CCCCCCCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000004114063 210123463 /nfs/dbraw/zinc/12/34/63/210123463.db2.gz JBXDSKKJJCCBSH-UHFFFAOYSA-N 0 0 346.427 5.412 50 30 EKEARN C=C(C)CC1(Nc2ccc(C)cc2C)CCC(c2ccccc2)CC1 ZINC000004114301 210123882 /nfs/dbraw/zinc/12/38/82/210123882.db2.gz FIIUMWALGONTOQ-UHFFFAOYSA-N 0 0 333.519 6.778 50 30 EKEARN COc1ccnc(CS/C(=N\c2ccccc2)Nc2ccccc2)c1 ZINC000004114674 524836368 /nfs/dbraw/zinc/83/63/68/524836368.db2.gz QADFNSCNVAPHNJ-UHFFFAOYSA-N 0 0 349.459 5.123 50 30 EKEARN C(=N/n1c2ccccc2nc1SCc1ccccc1)\c1ccccc1 ZINC000004114757 201589712 /nfs/dbraw/zinc/58/97/12/201589712.db2.gz UXXIRNNQMKZUST-PXLXIMEGSA-N 0 0 343.455 5.211 50 30 EKEARN C=C(Br)Cn1c(/C=C/c2ccccc2)nc2ccccc21 ZINC000004114872 210123956 /nfs/dbraw/zinc/12/39/56/210123956.db2.gz AVNXNCCFTIEKEW-VAWYXSNFSA-N 0 0 339.236 5.115 50 30 EKEARN N#Cc1cc2c(nc1SCc1c(Cl)cccc1Cl)CCCC2 ZINC000004116540 210122922 /nfs/dbraw/zinc/12/29/22/210122922.db2.gz KEYKQRJGLHZENB-UHFFFAOYSA-N 0 0 349.286 5.431 50 30 EKEARN N#Cc1cc2c(nc1SCc1cccc(Cl)c1)CCCCCC2 ZINC000004116541 201590004 /nfs/dbraw/zinc/59/00/04/201590004.db2.gz GKFKDAUOENSDDJ-UHFFFAOYSA-N 0 0 342.895 5.558 50 30 EKEARN CN(C)c1ccc(C=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1 ZINC000004116805 210123505 /nfs/dbraw/zinc/12/35/05/210123505.db2.gz JIQDMWDYGIPGAT-UHFFFAOYSA-N 0 0 337.507 5.664 50 30 EKEARN CCn1c2ccccc2c2cc(/C=C/C(=O)c3cccs3)ccc21 ZINC000004117054 210123716 /nfs/dbraw/zinc/12/37/16/210123716.db2.gz ADAFURAUUUCJFD-ZRDIBKRKSA-N 0 0 331.440 5.772 50 30 EKEARN COc1ccc(C(=O)ON=C2CCCCCCCCCCC2)cc1 ZINC000004118223 210124348 /nfs/dbraw/zinc/12/43/48/210124348.db2.gz WOOZHZBBQODBMS-UHFFFAOYSA-N 0 0 331.456 5.513 50 30 EKEARN O=C(ON=C1CCCCCCCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000004118224 210125356 /nfs/dbraw/zinc/12/53/56/210125356.db2.gz LRDMWGPXEPDDQR-UHFFFAOYSA-N 0 0 346.427 5.412 50 30 EKEARN O=C(ON=C1CCCCCCCCCCC1)c1ccc(Cl)cc1 ZINC000004118225 210124507 /nfs/dbraw/zinc/12/45/07/210124507.db2.gz LXLYCKVSXWVJKK-UHFFFAOYSA-N 0 0 335.875 6.158 50 30 EKEARN Cc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 ZINC000004118304 210124538 /nfs/dbraw/zinc/12/45/38/210124538.db2.gz TUIQZPQQSNCPIV-MDWZMJQESA-N 0 0 348.423 5.172 50 30 EKEARN CC(C)(C)C(=O)Oc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1 ZINC000004118381 518593146 /nfs/dbraw/zinc/59/31/46/518593146.db2.gz UPALWHXSONULHH-KPKJPENVSA-N 0 0 342.822 5.188 50 30 EKEARN Cc1cc(C)c(C#N)c(SCSCc2ccc(Cl)cc2)n1 ZINC000004123221 564160807 /nfs/dbraw/zinc/16/08/07/564160807.db2.gz NQLLPZZKJIGILS-UHFFFAOYSA-N 0 0 334.897 5.207 50 30 EKEARN Cc1cc(C)c(C#N)c(SCSc2ccc(C(C)(C)C)cc2)n1 ZINC000004123222 210126852 /nfs/dbraw/zinc/12/68/52/210126852.db2.gz GITIUJTXQCNRFG-UHFFFAOYSA-N 0 0 342.533 5.710 50 30 EKEARN C=CCSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N ZINC000004123231 210126516 /nfs/dbraw/zinc/12/65/16/210126516.db2.gz AXEUVCWSSDXLFA-UHFFFAOYSA-N 0 0 334.469 5.627 50 30 EKEARN COc1ccc(Cl)cc1Nc1nc2c(C)cc(C)cc2cc1C#N ZINC000004125499 210128016 /nfs/dbraw/zinc/12/80/16/210128016.db2.gz LJSNHOBKPLRUGL-UHFFFAOYSA-N 0 0 337.810 5.129 50 30 EKEARN C=CCn1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1=S ZINC000004127641 519284743 /nfs/dbraw/zinc/28/47/43/519284743.db2.gz VCDROWHEFPYWRS-JLHYYAGUSA-N 0 0 337.488 5.597 50 30 EKEARN C[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(C(C)(C)C)cc3)sc2C1 ZINC000004129104 210128421 /nfs/dbraw/zinc/12/84/21/210128421.db2.gz PKIXMUJHHKJGLL-JMKVTYIUSA-N 0 0 336.504 5.793 50 30 EKEARN C[C@H]1CCc2c(C#N)c(/N=C/c3ccc(C(C)(C)C)cc3)sc2C1 ZINC000004129106 210128289 /nfs/dbraw/zinc/12/82/89/210128289.db2.gz PKIXMUJHHKJGLL-WQEJZQBCSA-N 0 0 336.504 5.793 50 30 EKEARN N#CCCN1CCn2c3ccc(C4CCCCC4)cc3c3cccc1c32 ZINC000004139138 564160895 /nfs/dbraw/zinc/16/08/95/564160895.db2.gz NENJDZSKXLZPAT-UHFFFAOYSA-N 0 0 343.474 5.576 50 30 EKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)Nc3cccc(Cl)c3)sc2C1 ZINC000004144681 210132529 /nfs/dbraw/zinc/13/25/29/210132529.db2.gz ZIFICGFRTRPOHZ-SNVBAGLBSA-N 0 0 345.855 5.042 50 30 EKEARN C[C@H]1CCc2c(C#N)c(NC(=O)Nc3cccc(Cl)c3)sc2C1 ZINC000004144687 210132035 /nfs/dbraw/zinc/13/20/35/210132035.db2.gz ZIFICGFRTRPOHZ-JTQLQIEISA-N 0 0 345.855 5.042 50 30 EKEARN CN(/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccc1 ZINC000004147467 563495921 /nfs/dbraw/zinc/49/59/21/563495921.db2.gz WYBPGDJDYJFRRK-HZHRSRAPSA-N 0 0 338.495 5.458 50 30 EKEARN Cc1cccc(C=NNc2c(Cl)cc(Cl)cc2Cl)c1O ZINC000004150507 210132811 /nfs/dbraw/zinc/13/28/11/210132811.db2.gz MRQJAABNMUWMCL-CNHKJKLMSA-N 0 0 329.614 5.107 50 30 EKEARN O=C(/C=C/c1ccc(-c2ccccc2Br)o1)c1ccco1 ZINC000004152235 201591623 /nfs/dbraw/zinc/59/16/23/201591623.db2.gz RTTLGJHPUQIBJR-VQHVLOKHSA-N 0 0 343.176 5.198 50 30 EKEARN C/C(=N/N=C(/C)c1cccc2ccccc21)c1cccc2ccccc21 ZINC000004154618 210134296 /nfs/dbraw/zinc/13/42/96/210134296.db2.gz PCMMCSZMSVAZSC-MFYXSQMNSA-N 0 0 336.438 6.226 50 30 EKEARN O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2)o1)c1ccccc1 ZINC000004154679 527604600 /nfs/dbraw/zinc/60/46/00/527604600.db2.gz HSGSSYGYTKOUJK-WXUKJITCSA-N 0 0 328.367 5.072 50 30 EKEARN Clc1c(/C=N/c2cc(Cl)ccc2Cl)sc2ccccc12 ZINC000004154973 210134162 /nfs/dbraw/zinc/13/41/62/210134162.db2.gz MEULQUZQHHXICH-UFWORHAWSA-N 0 0 340.662 6.612 50 30 EKEARN COc1ccc(-c2ccc(/C=C/C(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000004158517 210134240 /nfs/dbraw/zinc/13/42/40/210134240.db2.gz SJUPIVHGCTUXEJ-ZRDIBKRKSA-N 0 0 338.790 5.505 50 30 EKEARN Cc1ccc(-c2ccc(/C=C/C(=O)c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000004158520 525742618 /nfs/dbraw/zinc/74/26/18/525742618.db2.gz FFMPFCXTUDYXFG-PKNBQFBNSA-N 0 0 333.343 5.059 50 30 EKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1 ZINC000004158524 210134176 /nfs/dbraw/zinc/13/41/76/210134176.db2.gz LWGWAIVHJAIWEJ-JXMROGBWSA-N 0 0 343.209 6.150 50 30 EKEARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(F)cc1 ZINC000004158533 210134026 /nfs/dbraw/zinc/13/40/26/210134026.db2.gz QLWGPQNGCRLFIW-PKNBQFBNSA-N 0 0 326.754 5.635 50 30 EKEARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1 ZINC000004158535 210133490 /nfs/dbraw/zinc/13/34/90/210133490.db2.gz LHMBYJNRLZGLDW-PKNBQFBNSA-N 0 0 343.209 6.150 50 30 EKEARN COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1 ZINC000004158537 523539171 /nfs/dbraw/zinc/53/91/71/523539171.db2.gz UMDFVEAHZPLLAH-ZRDIBKRKSA-N 0 0 338.790 5.505 50 30 EKEARN Clc1cc(N=NCc2ccccn2)sc1-c1ccc(Cl)cc1 ZINC000004159455 564160952 /nfs/dbraw/zinc/16/09/52/564160952.db2.gz MNKCOJFEOKNTSI-KEBDBYFISA-N 0 0 348.258 5.563 50 30 EKEARN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1 ZINC000004159708 210135299 /nfs/dbraw/zinc/13/52/99/210135299.db2.gz NLRKLPSYXOTQMT-PKNBQFBNSA-N 0 0 343.209 6.150 50 30 EKEARN O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1 ZINC000004159710 210135691 /nfs/dbraw/zinc/13/56/91/210135691.db2.gz POCLWPPQQDHDFL-PKNBQFBNSA-N 0 0 342.316 5.862 50 30 EKEARN O=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(Cl)cc1 ZINC000004159711 210135778 /nfs/dbraw/zinc/13/57/78/210135778.db2.gz VYNQKZRNEQFWIY-CSKARUKUSA-N 0 0 343.209 6.150 50 30 EKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 ZINC000004159712 210135008 /nfs/dbraw/zinc/13/50/08/210135008.db2.gz NQSFZXLHJVRJGK-PKNBQFBNSA-N 0 0 343.209 6.150 50 30 EKEARN COc1ccc(C(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000004159719 523539206 /nfs/dbraw/zinc/53/92/06/523539206.db2.gz OJBOFQBJDCGWID-PKNBQFBNSA-N 0 0 338.790 5.505 50 30 EKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 ZINC000004159723 210135313 /nfs/dbraw/zinc/13/53/13/210135313.db2.gz GJZCPUHEVXINRQ-PKNBQFBNSA-N 0 0 326.754 5.635 50 30 EKEARN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccs1 ZINC000004159726 563495961 /nfs/dbraw/zinc/49/59/61/563495961.db2.gz OILZMLRZVHTDSU-SOFGYWHQSA-N 0 0 349.238 6.211 50 30 EKEARN O=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccs1 ZINC000004159727 563496058 /nfs/dbraw/zinc/49/60/58/563496058.db2.gz QCWHSYQQFGKVLY-QPJJXVBHSA-N 0 0 349.238 6.211 50 30 EKEARN Cc1cc(C)c(NN=C(C#N)c2nc(-c3ccccc3)cs2)c(C)c1 ZINC000004175566 564161038 /nfs/dbraw/zinc/16/10/38/564161038.db2.gz RZFZLPJCFPMXOP-HAVVHWLPSA-N 0 0 346.459 5.075 50 30 EKEARN COc1ccc(C(=O)/C=C/c2cc3cc(C)ccc3nc2Cl)cc1 ZINC000004176783 210140396 /nfs/dbraw/zinc/14/03/96/210140396.db2.gz MHSSASSWLPJGFN-UXBLZVDNSA-N 0 0 337.806 5.101 50 30 EKEARN Clc1ccc(/N=C/c2ccc(Br)s2)cc1Cl ZINC000004178120 563496772 /nfs/dbraw/zinc/49/67/72/563496772.db2.gz AFUXGJUOZQVHLB-GIDUJCDVSA-N 0 0 335.053 5.568 50 30 EKEARN COc1ccc(C(=O)/C=C/c2cc3ccc(C)cc3nc2Cl)cc1 ZINC000004178956 210139522 /nfs/dbraw/zinc/13/95/22/210139522.db2.gz CUUBGNVRGLJXDQ-JXMROGBWSA-N 0 0 337.806 5.101 50 30 EKEARN FC(F)(F)c1ccc(N=NC2CCCCCCCCCCC2)nc1 ZINC000004181489 210141025 /nfs/dbraw/zinc/14/10/25/210141025.db2.gz LGFRDWNJSOGNFO-UHFFFAOYSA-N 0 0 341.421 6.173 50 30 EKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1 ZINC000004183365 564161009 /nfs/dbraw/zinc/16/10/09/564161009.db2.gz ITWOPFOSIWSCID-UHFFFAOYSA-N 0 0 333.869 5.361 50 30 EKEARN Cc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3o2)o1 ZINC000004184789 201593520 /nfs/dbraw/zinc/59/35/20/201593520.db2.gz OEHCKJORUWMPCD-GHRIWEEISA-N 0 0 329.355 5.153 50 30 EKEARN C=CCSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F ZINC000004186125 258047077 /nfs/dbraw/zinc/04/70/77/258047077.db2.gz LEPGGIZSEJRWGZ-UHFFFAOYSA-N 0 0 345.830 5.005 50 30 EKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccs1 ZINC000004193994 201593841 /nfs/dbraw/zinc/59/38/41/201593841.db2.gz UHUFNCOZBAJJFE-QPJJXVBHSA-N 0 0 349.238 6.211 50 30 EKEARN O=C(/C=C/c1c2ccccc2cc2ccccc21)c1ccc(Cl)cc1 ZINC000004194310 210143392 /nfs/dbraw/zinc/14/33/92/210143392.db2.gz ATVIOVIJBMRIAP-BUHFOSPRSA-N 0 0 342.825 6.543 50 30 EKEARN CCc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000004194409 523876793 /nfs/dbraw/zinc/87/67/93/523876793.db2.gz LLQHLFXITRPLLJ-ACCUITESSA-N 0 0 336.818 6.059 50 30 EKEARN O=C(/C=C/c1ccc(-c2cccc(Br)c2)o1)c1ccco1 ZINC000004194413 210144155 /nfs/dbraw/zinc/14/41/55/210144155.db2.gz MSOKXKYOQLKFGP-SOFGYWHQSA-N 0 0 343.176 5.198 50 30 EKEARN O=C(/C=C/c1ccc([N+](=O)[O-])s1)c1ccc(-c2ccccc2)cc1 ZINC000004194515 210143071 /nfs/dbraw/zinc/14/30/71/210143071.db2.gz VJHZAISNGFSLGD-ZRDIBKRKSA-N 0 0 335.384 5.219 50 30 EKEARN CC(=O)[C@@]1(C)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004216820 210145750 /nfs/dbraw/zinc/14/57/50/210145750.db2.gz HCFSGRMEEXUOSS-JXEXPEPMSA-N 0 0 340.507 5.280 50 30 world EKEARN N#CCCCSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000004221097 526447404 /nfs/dbraw/zinc/44/74/04/526447404.db2.gz QCCFDOVHLYLFEA-UHFFFAOYSA-N 0 0 341.867 5.134 50 30 EKEARN COc1ccc(NC=C(C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000004235468 210148765 /nfs/dbraw/zinc/14/87/65/210148765.db2.gz GRYUYEGTBDBASR-PGMHBOJBSA-N 0 0 329.399 5.031 50 30 EKEARN O=C1c2ccccc2C(=O)C1=C1C=Cc2cc(-c3ccccc3)ccc2N1 ZINC000004235734 210148015 /nfs/dbraw/zinc/14/80/15/210148015.db2.gz NHKMVOJHMIWGLQ-UHFFFAOYSA-N 0 0 349.389 5.126 50 30 EKEARN CCCS/C(=N/C#N)SCn1c2ccccc2sc1=S ZINC000004244989 564061829 /nfs/dbraw/zinc/06/18/29/564061829.db2.gz YTWFQMHVBZSCIM-QINSGFPZSA-N 0 0 339.536 5.103 50 30 EKEARN O=C(/C=C/c1ccc(-c2nc3ccccc3s2)o1)c1cccs1 ZINC000004247884 210150900 /nfs/dbraw/zinc/15/09/00/210150900.db2.gz ZIEGDSIOWFYNHA-VQHVLOKHSA-N 0 0 337.425 5.514 50 30 EKEARN COc1ccc(/C=C/C(=O)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000004252542 210154118 /nfs/dbraw/zinc/15/41/18/210154118.db2.gz LZXORKTZCZWVTF-QPJJXVBHSA-N 0 0 325.166 5.037 50 30 EKEARN O=C(/C=C/c1ccc(-c2ccc(SC(F)F)cc2)o1)c1ccco1 ZINC000004263972 527605077 /nfs/dbraw/zinc/60/50/77/527605077.db2.gz AOMMKOHUJXZASS-WEVVVXLNSA-N 0 0 346.354 5.750 50 30 EKEARN Clc1ccc(/N=C/c2nnsc2-c2ccccc2)cc1Cl ZINC000004265464 210155564 /nfs/dbraw/zinc/15/55/64/210155564.db2.gz NJIZMZFQBZFMJF-GIJQJNRQSA-N 0 0 334.231 5.263 50 30 EKEARN O=[N+]([O-])c1cc(/C=N\c2ccccc2)ccc1/C=N/c1ccccc1 ZINC000004266068 563498677 /nfs/dbraw/zinc/49/86/77/563498677.db2.gz ZXILABFIDMTWOK-BILXGNRESA-N 0 0 329.359 5.096 50 30 EKEARN C=C(C)CCC[C@H](C)CCN(/N=C/c1ccccc1)c1ccccc1 ZINC000004266400 518589550 /nfs/dbraw/zinc/58/95/50/518589550.db2.gz GJDPFZURUFCRKQ-WGHBEHPSSA-N 0 0 334.507 6.300 50 30 EKEARN C=C(C)CCC[C@@H](C)CCN(/N=C/c1ccccc1)c1ccccc1 ZINC000004266402 518590221 /nfs/dbraw/zinc/59/02/21/518590221.db2.gz GJDPFZURUFCRKQ-QBHDBVHESA-N 0 0 334.507 6.300 50 30 EKEARN O=C1Cc2ccccc2C=C1Oc1cc(Cl)c(Cl)cc1Cl ZINC000004268278 210155146 /nfs/dbraw/zinc/15/51/46/210155146.db2.gz PJYPGRSLPWUXEL-UHFFFAOYSA-N 0 0 339.605 5.192 50 30 EKEARN Cc1cc(C(=O)/C=C/c2cc(Br)cs2)ccc1Cl ZINC000004276770 210160215 /nfs/dbraw/zinc/16/02/15/210160215.db2.gz SGZVTCYTDIDUID-HWKANZROSA-N 0 0 341.657 5.369 50 30 EKEARN O=C(/C=C/c1cc(Br)cs1)c1ccc(Cl)cc1 ZINC000004276786 210160113 /nfs/dbraw/zinc/16/01/13/210160113.db2.gz PSSJEANURYCSPI-AATRIKPKSA-N 0 0 327.630 5.060 50 30 EKEARN Cc1ccc(/C=C/C(=O)c2cc(C)ccc2OC(=O)c2ccco2)cc1 ZINC000004279031 210159597 /nfs/dbraw/zinc/15/95/97/210159597.db2.gz UVIMJCWPPNPEAH-ZHACJKMWSA-N 0 0 346.382 5.012 50 30 EKEARN CCOC(=O)c1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1 ZINC000004281059 210160853 /nfs/dbraw/zinc/16/08/53/210160853.db2.gz CJRYFTPVCPURLF-XQNSMLJCSA-N 0 0 329.399 5.281 50 30 EKEARN CCCOc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000004281063 210161585 /nfs/dbraw/zinc/16/15/85/210161585.db2.gz ATECRIWYJLOAAF-BDZBAJMUSA-N 0 0 343.430 6.641 50 30 EKEARN C/C(=N\N=C(/C)c1ccc2ccccc2c1)c1ccc2ccccc2c1 ZINC000004299663 563499421 /nfs/dbraw/zinc/49/94/21/563499421.db2.gz IORKPAAAIQLYFG-RPCRKUJJSA-N 0 0 336.438 6.226 50 30 EKEARN CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cc(F)ccc1O ZINC000004300167 563499369 /nfs/dbraw/zinc/49/93/69/563499369.db2.gz VJYHTJFOVARFCR-FBCYGCLPSA-N 0 0 347.604 5.328 50 30 EKEARN CC(N=Nc1nc(C(C)(C)C)cs1)c1ccc(Cl)c(Cl)c1 ZINC000004300205 201596460 /nfs/dbraw/zinc/59/64/60/201596460.db2.gz KOYSOQGZEHSEKL-DJKKODMXSA-N 0 0 342.295 5.584 50 30 EKEARN CC(C)(C)c1csc(N=NCc2c(Cl)cccc2Cl)n1 ZINC000004300215 563499315 /nfs/dbraw/zinc/49/93/15/563499315.db2.gz BIXUYAHRMCWEFB-REZTVBANSA-N 0 0 328.268 5.193 50 30 EKEARN CC(N=Nc1nc(C(C)(C)C)cs1)c1cc2cc(Cl)ccc2o1 ZINC000004300216 210163538 /nfs/dbraw/zinc/16/35/38/210163538.db2.gz KYUMZAHPLJVDNT-KEBDBYFISA-N 0 0 347.871 5.676 50 30 EKEARN Cc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)cc3)cs2)cn1 ZINC000004300513 518466411 /nfs/dbraw/zinc/46/64/11/518466411.db2.gz RYTISTLXZSAPFL-CIAFOILYSA-N 0 0 342.855 5.003 50 30 EKEARN C/C(=N/OC(=O)C(C)(C)C)c1cc(C(C)(C)C)cc2c1CCC2(C)C ZINC000004300856 210164064 /nfs/dbraw/zinc/16/40/64/210164064.db2.gz YFCSICKELLDWGG-UCQKPKSFSA-N 0 0 343.511 5.521 50 30 EKEARN O=C(C=C(CC(=O)c1ccc(F)cc1)c1ccccc1)c1ccccc1 ZINC000004300944 527592668 /nfs/dbraw/zinc/59/26/68/527592668.db2.gz FZZCMODMGKYQGD-SILNSSARSA-N 0 0 344.385 5.365 50 30 EKEARN Cc1ccc(C(=CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1 ZINC000004300947 525939702 /nfs/dbraw/zinc/93/97/02/525939702.db2.gz OBYHSBNHYYNQJI-JWGURIENSA-N 0 0 340.422 5.534 50 30 EKEARN Cc1ccc(SC(Sc2ccc(C)cc2)=C(Cl)/C=N/O)cc1 ZINC000004301278 210163430 /nfs/dbraw/zinc/16/34/30/210163430.db2.gz VITYKUZBMMQLEA-YBFXNURJSA-N 0 0 349.908 6.056 50 30 EKEARN Cc1ccc(-c2ccc(/C=C/C(=O)c3cccs3)o2)c([N+](=O)[O-])c1 ZINC000004304292 525743156 /nfs/dbraw/zinc/74/31/56/525743156.db2.gz FRZYEYOHRJLZLY-VMPITWQZSA-N 0 0 339.372 5.121 50 30 EKEARN O=C1CCCC2=C1c1c(ccc3ccccc31)N[C@@H]2c1ccccc1 ZINC000004309467 210166406 /nfs/dbraw/zinc/16/64/06/210166406.db2.gz WKSSFICFIJWVKB-HSZRJFAPSA-N 0 0 325.411 5.513 50 30 EKEARN O=C1CCCC2=C1c1c(ccc3ccccc31)N[C@H]2c1ccccc1 ZINC000004309468 563499793 /nfs/dbraw/zinc/49/97/93/563499793.db2.gz WKSSFICFIJWVKB-QHCPKHFHSA-N 0 0 325.411 5.513 50 30 EKEARN COc1ccc(C(=O)/C=C/c2ccc(Sc3ccccc3)cc2)cc1 ZINC000004316023 523542334 /nfs/dbraw/zinc/54/23/34/523542334.db2.gz OYMKSNOOUBVAQH-CXUHLZMHSA-N 0 0 346.451 5.743 50 30 EKEARN CCCOc1ccc(/C=C/C(=O)c2oc3ccc(F)cc3c2C)cc1 ZINC000004320768 563644635 /nfs/dbraw/zinc/64/46/35/563644635.db2.gz MUHZOQIVXHILNW-UXBLZVDNSA-N 0 0 338.378 5.565 50 30 EKEARN O=C(/C=C/c1ccccc1)c1cc2ccc1CCc1ccc(cc1)CC2 ZINC000004322437 563500096 /nfs/dbraw/zinc/50/00/96/563500096.db2.gz KCNFKYAMFRLHAM-SAPNQHFASA-N 0 0 338.450 5.467 50 30 EKEARN Clc1cc(Cl)cc(/N=C/Nc2cc(Cl)cc(Cl)c2)c1 ZINC000004323025 210170089 /nfs/dbraw/zinc/17/00/89/210170089.db2.gz PYNWASBQTXFRAI-UHFFFAOYSA-N 0 0 334.033 6.072 50 30 EKEARN O=C(/C=C/c1ccc(Cl)cc1)c1ccc(-c2ccc(F)cc2F)o1 ZINC000004323384 210170053 /nfs/dbraw/zinc/17/00/53/210170053.db2.gz SBGOQLUTWYQDJZ-FPYGCLRLSA-N 0 0 344.744 5.774 50 30 EKEARN C=CCNc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000004323550 210170585 /nfs/dbraw/zinc/17/05/85/210170585.db2.gz OMFPISLDDRWTFD-UHFFFAOYSA-N 0 0 326.852 5.728 50 30 EKEARN N#CCCCSc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000004329359 526448202 /nfs/dbraw/zinc/44/82/02/526448202.db2.gz XVCVQCSOJNVSMC-UHFFFAOYSA-N 0 0 346.887 5.109 50 30 EKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccs1 ZINC000004339390 210175066 /nfs/dbraw/zinc/17/50/66/210175066.db2.gz ZHINGTWLKVIPNN-QPJJXVBHSA-N 0 0 349.238 6.211 50 30 EKEARN CCN(CC)c1ccc(/N=N/c2c(Cl)cc(C#N)cc2Cl)cc1 ZINC000004347708 210178056 /nfs/dbraw/zinc/17/80/56/210178056.db2.gz AUBYBURKVVCJET-QURGRASLSA-N 0 0 347.249 6.127 50 30 EKEARN Cc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc(Cl)cc3)cc2c1 ZINC000004349952 210177628 /nfs/dbraw/zinc/17/76/28/210177628.db2.gz HIWNWVKDNVZSIG-WEVVVXLNSA-N 0 0 342.225 5.746 50 30 EKEARN Cc1cccc2cc(/C=C/C(=O)c3ccc(Cl)cc3)c(Cl)nc12 ZINC000004349963 210177770 /nfs/dbraw/zinc/17/77/70/210177770.db2.gz CDGXILGAIGAOFF-JXMROGBWSA-N 0 0 342.225 5.746 50 30 EKEARN O=C(/C=C/c1cc2ccccc2nc1Cl)c1ccc(Cl)cc1 ZINC000004349966 210177643 /nfs/dbraw/zinc/17/76/43/210177643.db2.gz CNCILJVOBAUBPS-JXMROGBWSA-N 0 0 328.198 5.438 50 30 EKEARN COc1ccc(C(=O)/C=C/c2cc3cccc(C)c3nc2Cl)cc1 ZINC000004350087 563501099 /nfs/dbraw/zinc/50/10/99/563501099.db2.gz XRWSZXIRWZHZLI-DHZHZOJOSA-N 0 0 337.806 5.101 50 30 EKEARN C=CCn1c(SCc2cc(C)ccc2C)nnc1-c1cccc(C)c1 ZINC000004356316 519237109 /nfs/dbraw/zinc/23/71/09/519237109.db2.gz IZLRLJSDRQMFRB-UHFFFAOYSA-N 0 0 349.503 5.349 50 30 EKEARN C=CCn1c(SCc2cccc(C)c2)nnc1-c1cccc(C)c1 ZINC000004356323 519242221 /nfs/dbraw/zinc/24/22/21/519242221.db2.gz VYSOFWGMDFQJKV-UHFFFAOYSA-N 0 0 335.476 5.040 50 30 EKEARN C=CCn1c(SCc2ccc(C)c(C)c2)nnc1-c1cccc(C)c1 ZINC000004356833 519240521 /nfs/dbraw/zinc/24/05/21/519240521.db2.gz FELGYXJACDUTOY-UHFFFAOYSA-N 0 0 349.503 5.349 50 30 EKEARN C=CCn1c(SCc2ccccc2C)nnc1-c1cccc(C)c1 ZINC000004357651 519245164 /nfs/dbraw/zinc/24/51/64/519245164.db2.gz UOBGVLUBJTUDEK-UHFFFAOYSA-N 0 0 335.476 5.040 50 30 EKEARN CC(C)c1ccc(NN=Cc2cc(C#Cc3ccccc3)cs2)cc1 ZINC000004362750 210179786 /nfs/dbraw/zinc/17/97/86/210179786.db2.gz SZYVYLRISISFCL-HZHRSRAPSA-N 0 0 344.483 5.717 50 30 EKEARN Fc1ccc(NN=Cc2sccc2Oc2ccccc2)c(F)c1 ZINC000004363166 201598056 /nfs/dbraw/zinc/59/80/56/201598056.db2.gz CXBQAGORGPQZIK-RGVLZGJSSA-N 0 0 330.359 5.265 50 30 EKEARN Clc1ccc(NN=Cc2sccc2Oc2ccccc2)cc1 ZINC000004363168 210180984 /nfs/dbraw/zinc/18/09/84/210180984.db2.gz AVHNCQQZHSQXQP-XDHOZWIPSA-N 0 0 328.824 5.640 50 30 EKEARN Cc1c2ccccc2n2c1C(=NNc1ccc(C(F)(F)F)cc1)CC2 ZINC000004363175 210179740 /nfs/dbraw/zinc/17/97/40/210179740.db2.gz DVYKZDLPQRQSMS-LFVJCYFKSA-N 0 0 343.352 5.188 50 30 EKEARN Cc1c2ccccc2n2c1C(N=Nc1ccc(Cl)cc1Cl)CC2 ZINC000004363178 563501409 /nfs/dbraw/zinc/50/14/09/563501409.db2.gz YJEILTXBIWEZLR-CJLVFECKSA-N 0 0 344.245 5.476 50 30 EKEARN Cc1c2ccccc2n2c1C(=NNc1cccc(C(F)(F)F)c1)CC2 ZINC000004363181 210180640 /nfs/dbraw/zinc/18/06/40/210180640.db2.gz AIBLOGPJFMKIII-LFVJCYFKSA-N 0 0 343.352 5.188 50 30 EKEARN C=CCOc1ccccc1CN=Nc1nc(-c2ccccc2)c(C)s1 ZINC000004363648 210180999 /nfs/dbraw/zinc/18/09/99/210180999.db2.gz OVHRUOGVDAYSLN-KGENOOAVSA-N 0 0 349.459 5.129 50 30 EKEARN CN(C)c1ccc(C=[NH+][N-]c2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000004364001 210180410 /nfs/dbraw/zinc/18/04/10/210180410.db2.gz LHOPWQCIMYGYIU-DJKKODMXSA-N 0 0 342.657 5.159 50 30 EKEARN C/C(=N\OC(=O)c1ccccc1)c1sc2ccc(Cl)cc2c1C ZINC000004365625 563501444 /nfs/dbraw/zinc/50/14/44/563501444.db2.gz YRPSUPNSOWMRFE-UDWIEESQSA-N 0 0 343.835 5.444 50 30 EKEARN C/C(=N\OC(=O)c1ccccc1Cl)c1sc2ccccc2c1C ZINC000004365667 201598185 /nfs/dbraw/zinc/59/81/85/201598185.db2.gz ZEGIRLNFJUTKSE-UDWIEESQSA-N 0 0 343.835 5.444 50 30 EKEARN Cc1c(C=NNc2ccc([N+](=O)[O-])cc2)sc2ccc(Cl)cc12 ZINC000004365935 210180914 /nfs/dbraw/zinc/18/09/14/210180914.db2.gz ANIRTFPZGLQFAB-GIJQJNRQSA-N 0 0 345.811 5.217 50 30 EKEARN Cc1c2ccccc2sc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000004365990 525519176 /nfs/dbraw/zinc/51/91/76/525519176.db2.gz GQUMAGWPLAKICS-RGVLZGJSSA-N 0 0 349.484 5.779 50 30 EKEARN Clc1cc(Cl)c(NN=C2CCCc3occc32)c(Cl)c1 ZINC000004366296 210180720 /nfs/dbraw/zinc/18/07/20/210180720.db2.gz IOILGEDOXXQBPG-LDADJPATSA-N 0 0 329.614 5.392 50 30 EKEARN Clc1ccccc1-c1csc(N=NC2CCCc3occc32)n1 ZINC000004366314 210180514 /nfs/dbraw/zinc/18/05/14/210180514.db2.gz LBGIBIUEVGPVOM-ZHZULCJRSA-N 0 0 343.839 5.209 50 30 EKEARN Cc1c(C#N)c(SCc2ccc(C(C)(C)C)cc2)nc2ccccc12 ZINC000004366401 210180813 /nfs/dbraw/zinc/18/08/13/210180813.db2.gz RLJYDROYTAUWGK-UHFFFAOYSA-N 0 0 346.499 6.005 50 30 EKEARN O=C(C=C(CC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000004369258 527593108 /nfs/dbraw/zinc/59/31/08/527593108.db2.gz DNFKLFZFLOSFFB-LTGZKZEYSA-N 0 0 326.395 5.226 50 30 EKEARN Cc1ccc(C(=O)C=C(CC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000004369266 526012908 /nfs/dbraw/zinc/01/29/08/526012908.db2.gz UJEOYHZLFAXKKH-OQKWZONESA-N 0 0 340.422 5.534 50 30 EKEARN O=C(/C=C(\C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000004377886 527592334 /nfs/dbraw/zinc/59/23/34/527592334.db2.gz PNZSYMGEZQXESH-HKWRFOASSA-N 0 0 346.813 5.489 50 30 EKEARN Clc1cccc(Cl)c1C=NNc1c(Cl)cncc1Cl ZINC000004382542 210182928 /nfs/dbraw/zinc/18/29/28/210182928.db2.gz NRQUAVYOAZGFFD-JJPRUIFNSA-N 0 0 335.021 5.141 50 30 EKEARN CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1oc(C)nc1C ZINC000004389620 210185747 /nfs/dbraw/zinc/18/57/47/210185747.db2.gz WOFNYGSEMXTBIK-CNHKJKLMSA-N 0 0 332.618 5.088 50 30 EKEARN FC(F)(F)c1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1 ZINC000004390152 210186260 /nfs/dbraw/zinc/18/62/60/210186260.db2.gz COQDTRCQPZBWOC-LSFURLLWSA-N 0 0 332.247 5.170 50 30 EKEARN FC(F)(F)c1cc(Cl)c(NN=Cc2cccs2)c(Cl)c1 ZINC000004390168 210186438 /nfs/dbraw/zinc/18/64/38/210186438.db2.gz QBXZOTKIRJAZQJ-NGYBGAFCSA-N 0 0 339.169 5.520 50 30 EKEARN CC(=NNc1c(C)cccc1Cl)c1csc(-c2ccccc2)n1 ZINC000004394538 563502147 /nfs/dbraw/zinc/50/21/47/563502147.db2.gz XVMDMBREQXIRPY-FYJGNVAPSA-N 0 0 341.867 5.608 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(F)cc1 ZINC000004397111 210187644 /nfs/dbraw/zinc/18/76/44/210187644.db2.gz ZJUIKJDXRMNKLF-HXUWFJFHSA-N 0 0 336.410 5.048 50 30 EKEARN COc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1OC ZINC000004405459 210189365 /nfs/dbraw/zinc/18/93/65/210189365.db2.gz MHPXMJFCIITESD-XYUREOLFSA-N 0 0 345.402 5.870 50 30 EKEARN CCCCC(=O)C1=C(Nc2cccc3ccccc32)CC(C)(C)CC1=O ZINC000004406331 210189240 /nfs/dbraw/zinc/18/92/40/210189240.db2.gz WUTQDDMLIQWNRO-UHFFFAOYSA-N 0 0 349.474 5.654 50 30 EKEARN CCCCC(=O)C1=C(Nc2ccc3ccccc3c2)CC(C)(C)CC1=O ZINC000004406332 519905483 /nfs/dbraw/zinc/90/54/83/519905483.db2.gz WUAKOVSBXNUYRJ-UHFFFAOYSA-N 0 0 349.474 5.654 50 30 EKEARN Cc1cc(-c2csc(N=NC(C)c3ccccc3)n2)ccc1F ZINC000004410335 210188544 /nfs/dbraw/zinc/18/85/44/210188544.db2.gz JZRUVFMVMSJYOQ-FYJGNVAPSA-N 0 0 325.412 5.094 50 30 EKEARN CCCCCCOc1ccc(/C=N/N(C)c2ccccc2)cc1OC ZINC000004412937 520103863 /nfs/dbraw/zinc/10/38/63/520103863.db2.gz ZFDLMXAVXOTRRE-OQKWZONESA-N 0 0 340.467 5.125 50 30 EKEARN O=C(C=C(Nc1ccccc1)c1ccccc1)c1cccc2ccccc21 ZINC000004421939 210191287 /nfs/dbraw/zinc/19/12/87/210191287.db2.gz HHEWBLPTOPHDIB-MOHJPFBDSA-N 0 0 349.433 6.176 50 30 EKEARN Cc1ccc(-c2csc(N=NCc3ccc(Cl)cc3)n2)cc1 ZINC000004422492 563502491 /nfs/dbraw/zinc/50/24/91/563502491.db2.gz KRUKYIHWTPHPFM-VXLYETTFSA-N 0 0 327.840 5.218 50 30 EKEARN CSc1nc(Nc2ccc(C)cc2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000004426142 205711761 /nfs/dbraw/zinc/71/17/61/205711761.db2.gz ADGPWCIVZULCGH-UHFFFAOYSA-N 0 0 346.459 5.098 50 30 EKEARN Clc1ccccc1-c1nc(C=NNc2ccccc2)c2ccccn21 ZINC000004426633 210190539 /nfs/dbraw/zinc/19/05/39/210190539.db2.gz AUSBGUCAZPMGND-HYARGMPZSA-N 0 0 346.821 5.101 50 30 EKEARN C[C@H](Sc1nc(C2CC2)cc(C(F)(F)F)c1C#N)c1ccccc1 ZINC000004450407 210194047 /nfs/dbraw/zinc/19/40/47/210194047.db2.gz QEMJXDIHKMVPQV-NSHDSACASA-N 0 0 348.393 5.703 50 30 EKEARN C[C@@H](Sc1nc(C2CC2)cc(C(F)(F)F)c1C#N)c1ccccc1 ZINC000004450409 210193063 /nfs/dbraw/zinc/19/30/63/210193063.db2.gz QEMJXDIHKMVPQV-LLVKDONJSA-N 0 0 348.393 5.703 50 30 EKEARN CC(C(=O)c1ccccc1)=C(CC(=O)c1ccccc1)c1ccccc1 ZINC000004452639 518473344 /nfs/dbraw/zinc/47/33/44/518473344.db2.gz FYYVLSINTMLUQR-RELWKKBWSA-N 0 0 340.422 5.616 50 30 EKEARN CCN1c2ccc3ccccc3c2S/C1=C\C(=O)c1ccccc1 ZINC000004458329 201602002 /nfs/dbraw/zinc/60/20/02/201602002.db2.gz YEUHHHBVUBSOKZ-ZHZULCJRSA-N 0 0 331.440 5.496 50 30 EKEARN Oc1ccc2ccccc2c1CN=Nc1nc(-c2ccccc2)cs1 ZINC000004459000 526355151 /nfs/dbraw/zinc/35/51/51/526355151.db2.gz SIJKIKVQBXSCFY-CIAFOILYSA-N 0 0 345.427 5.115 50 30 EKEARN Clc1ccc(CN=Nc2nc(-c3ccccc3)cs2)c(Cl)c1 ZINC000004459090 563502962 /nfs/dbraw/zinc/50/29/62/563502962.db2.gz JGHFDLIBYHZMBE-DJKKODMXSA-N 0 0 348.258 5.563 50 30 EKEARN Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(C#Cc2ccccc2)cc1 ZINC000004460278 210195643 /nfs/dbraw/zinc/19/56/43/210195643.db2.gz LQGOIUHMTUFSBP-XQNSMLJCSA-N 0 0 340.382 5.054 50 30 EKEARN O=C(/C=C/c1ccc(F)cc1)c1ccc(/N=C/c2ccc(F)cc2)cc1 ZINC000004460282 210194504 /nfs/dbraw/zinc/19/45/04/210194504.db2.gz ZJLOOVFMVXBNIG-ULEDHRJNSA-N 0 0 347.364 5.612 50 30 EKEARN O=C1/C(=C/c2ccccc2Cl)CCC/C1=C\c1ccccc1Cl ZINC000004471920 210195199 /nfs/dbraw/zinc/19/51/99/210195199.db2.gz QLOHWWSWUAXAGS-UNZYHPAISA-N 0 0 343.253 6.213 50 30 EKEARN COc1ccccc1/C=C1\CC(C)C/C(=C\c2ccccc2OC)C1=O ZINC000004472736 210196132 /nfs/dbraw/zinc/19/61/32/210196132.db2.gz NQYKRTOCIWKIQP-PXXPDPNMSA-N 0 0 348.442 5.170 50 30 EKEARN O=C(/C=C/c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1Cl ZINC000004473074 210196339 /nfs/dbraw/zinc/19/63/39/210196339.db2.gz VDBTUGSRBUXADC-ZRDIBKRKSA-N 0 0 330.814 5.807 50 30 EKEARN Cc1cnc2c(c1)/C(=N\c1cccc3ccccc31)c1cccc(C)c1-2 ZINC000004474226 210196969 /nfs/dbraw/zinc/19/69/69/210196969.db2.gz FGPLYLTXWLABMF-RWEWTDSWSA-N 0 0 334.422 6.001 50 30 EKEARN Cc1ccc(-c2csc(N=NC(C)c3ccc(Cl)cc3)n2)cc1 ZINC000004474622 210196136 /nfs/dbraw/zinc/19/61/36/210196136.db2.gz WEDPZNVBMHUUOZ-BKUYFWCQSA-N 0 0 341.867 5.608 50 30 EKEARN CC/C=N/N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000004475471 210196965 /nfs/dbraw/zinc/19/69/65/210196965.db2.gz KNSJNQPCKBRATF-HMGLBJTLSA-N 0 0 341.867 5.156 50 30 EKEARN O=C1/C(=C/c2ccc(Cl)cc2)CCC/C1=C\c1ccc(Cl)cc1 ZINC000004482191 210199373 /nfs/dbraw/zinc/19/93/73/210199373.db2.gz MNFGLQYSNLSOHP-UNZYHPAISA-N 0 0 343.253 6.213 50 30 EKEARN O=C1/C(=C/c2ccc(Cl)cc2)CC/C1=C\c1ccc(Cl)cc1 ZINC000004482192 563503225 /nfs/dbraw/zinc/50/32/25/563503225.db2.gz HOAWLEKLGGIUDF-JOBJLJCHSA-N 0 0 329.226 5.823 50 30 EKEARN O=C1/C(=C/c2ccccc2Cl)CC/C1=C\c1ccccc1Cl ZINC000004482193 563503216 /nfs/dbraw/zinc/50/32/16/563503216.db2.gz RHVDVNSBPYATIJ-JOBJLJCHSA-N 0 0 329.226 5.823 50 30 EKEARN CCN1c2ccc3c(c2S/C1=C\C(=O)c1ccccc1)CCCC3 ZINC000004486175 210200000 /nfs/dbraw/zinc/20/00/00/210200000.db2.gz WOLLERYDKWBLEP-ZHZULCJRSA-N 0 0 335.472 5.222 50 30 EKEARN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(C(C)C)cc3)S2)cc1 ZINC000004491589 210202182 /nfs/dbraw/zinc/20/21/82/210202182.db2.gz GEQXLXDIQXGOSB-LDADJPATSA-N 0 0 336.460 5.010 50 30 EKEARN Cc1ccc(/N=C2/NC(=O)/C(=C\c3cccc4ccccc34)S2)cc1 ZINC000004491593 563733564 /nfs/dbraw/zinc/73/35/64/563733564.db2.gz AHQOCUGXGYXCKG-CPNJWEJPSA-N 0 0 344.439 5.040 50 30 EKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/C=C/c3ccccc3)sc2C1 ZINC000004491612 563733835 /nfs/dbraw/zinc/73/38/35/563733835.db2.gz IVFVIKAGXCYQCC-ZGDUXCSJSA-N 0 0 348.515 6.186 50 30 EKEARN Cc1cccc(/N=C2/NC(=O)/C(=C\c3cccc4ccccc34)S2)c1 ZINC000004491625 210202390 /nfs/dbraw/zinc/20/23/90/210202390.db2.gz JMWLMCKLDSPPQO-CPNJWEJPSA-N 0 0 344.439 5.040 50 30 EKEARN N#CC(C#N)[C@H](CC(=O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000004499423 210205701 /nfs/dbraw/zinc/20/57/01/210205701.db2.gz YBIMFCCNPQYEND-ZDUSSCGKSA-N 0 0 349.242 5.075 50 30 EKEARN Cc1ccc(N/N=C2/Sc3ccc4ccccc4c3C2=O)c(C)c1 ZINC000004499528 210204902 /nfs/dbraw/zinc/20/49/02/210204902.db2.gz QQUINUZRUCXYNB-LSDHQDQOSA-N 0 0 332.428 5.171 50 30 EKEARN O=C1c2c(ccc3ccccc23)S/C1=N/Nc1ccc(Cl)cc1 ZINC000004499531 563735034 /nfs/dbraw/zinc/73/50/34/563735034.db2.gz HZZAHHZPJYANOV-DYTRJAOYSA-N 0 0 338.819 5.207 50 30 EKEARN Cc1cccc(C)c1N/N=C1\Sc2c(ccc3ccccc23)C1=O ZINC000004499536 210205530 /nfs/dbraw/zinc/20/55/30/210205530.db2.gz SQHMSCLGCJIFTA-XDOYNYLZSA-N 0 0 332.428 5.171 50 30 EKEARN O=C1c2ccc3ccccc3c2S/C1=N\Nc1ccccc1Cl ZINC000004499537 563734928 /nfs/dbraw/zinc/73/49/28/563734928.db2.gz UQFNTDOXFSIQGN-UZYVYHOESA-N 0 0 338.819 5.207 50 30 EKEARN CC(C)C1=C/C(=C/c2ccccc2)[C@@H](C)/C(=C/c2ccccc2)C1=O ZINC000004509659 210209110 /nfs/dbraw/zinc/20/91/10/210209110.db2.gz GBDBYNWRLLDETJ-XHQQSXMBSA-N 0 0 328.455 5.955 50 30 EKEARN CC(C)C1=C/C(=C/c2ccccc2)[C@H](C)/C(=C/c2ccccc2)C1=O ZINC000004509662 210208564 /nfs/dbraw/zinc/20/85/64/210208564.db2.gz GBDBYNWRLLDETJ-JYRHWBOBSA-N 0 0 328.455 5.955 50 30 EKEARN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccccc1 ZINC000004512763 563504166 /nfs/dbraw/zinc/50/41/66/563504166.db2.gz RHTQNMZZPACPJI-SOFGYWHQSA-N 0 0 343.209 6.150 50 30 EKEARN N#Cc1ccc(N=NC2CCCCCCCCCCC2)c([N+](=O)[O-])c1 ZINC000004519769 210212754 /nfs/dbraw/zinc/21/27/54/210212754.db2.gz SCWAJGQQESYVOZ-UHFFFAOYSA-N 0 0 342.443 5.539 50 30 EKEARN CCN1c2ccccc2S/C1=C\C=C1/C(=O)C=Cc2ccccc21 ZINC000004520962 563504324 /nfs/dbraw/zinc/50/43/24/563504324.db2.gz JZFXWYPVXGMIKL-NFJCNJJMSA-N 0 0 331.440 5.140 50 30 EKEARN CCn1c2ccccc2c2cc(/C=N/N(C)c3ccccc3)ccc21 ZINC000004521062 210213714 /nfs/dbraw/zinc/21/37/14/210213714.db2.gz QYXUHIZLHNDFJT-XQNSMLJCSA-N 0 0 327.431 5.285 50 30 EKEARN Cc1ccc(NN=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 ZINC000004523588 563758153 /nfs/dbraw/zinc/75/81/53/563758153.db2.gz BNQMVXUMJXHTRL-HKOYGPOVSA-N 0 0 346.459 5.075 50 30 EKEARN C/C(=N\OC(=O)c1sc2ccccc2c1Cl)c1ccc(F)cc1 ZINC000004523801 210213541 /nfs/dbraw/zinc/21/35/41/210213541.db2.gz BIXBQIQUTLDCRC-KEBDBYFISA-N 0 0 347.798 5.275 50 30 EKEARN N#Cc1ccccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000004524474 210213277 /nfs/dbraw/zinc/21/32/77/210213277.db2.gz QCISJVRAOZUHPQ-FQEVSTJZSA-N 0 0 344.439 5.030 50 30 EKEARN N#Cc1ccccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000004524477 210213478 /nfs/dbraw/zinc/21/34/78/210213478.db2.gz QCISJVRAOZUHPQ-HXUWFJFHSA-N 0 0 344.439 5.030 50 30 EKEARN CC(N=Nc1nc2ccccc2s1)N=Nc1ccc(Cl)cc1 ZINC000004524585 210213761 /nfs/dbraw/zinc/21/37/61/210213761.db2.gz QVIOWDRKBVRBOP-GQVLRKDXSA-N 0 0 329.816 5.479 50 30 EKEARN O=C1/C(=C/c2ccccc2)CC[C@@H]2[C@@H]1CC[C@H]1c3ccccc3CC[C@H]12 ZINC000004529719 210215190 /nfs/dbraw/zinc/21/51/90/210215190.db2.gz DIYWYRFFWACTFY-IVPQLZLLSA-N 0 0 342.482 5.805 50 30 EKEARN O=C1/C(=C/c2ccccc2)CC[C@H]2[C@H]3CCc4ccccc4[C@@H]3CC[C@H]12 ZINC000004529721 201604906 /nfs/dbraw/zinc/60/49/06/201604906.db2.gz DIYWYRFFWACTFY-DRVZBVHLSA-N 0 0 342.482 5.805 50 30 EKEARN O=C(/C(=N/N=C/C=C/c1ccccc1)c1ccccc1)c1ccccc1 ZINC000004529785 257951348 /nfs/dbraw/zinc/95/13/48/257951348.db2.gz PVXHDGCGWDYKFC-SEYZKEAJSA-N 0 0 338.410 5.058 50 30 EKEARN CC(C)(C)c1cc(C(=O)/C=C\c2ccccc2)cc(C(C)(C)C)c1O ZINC000004530956 210215595 /nfs/dbraw/zinc/21/55/95/210215595.db2.gz XLMFMSKKAMNUAE-SEYXRHQNSA-N 0 0 336.475 5.883 50 30 EKEARN CC(C)(C)c1cc(/C=C\C(=O)c2ccccc2)cc(C(C)(C)C)c1O ZINC000004530958 210215292 /nfs/dbraw/zinc/21/52/92/210215292.db2.gz MQLALXSEENATJA-SEYXRHQNSA-N 0 0 336.475 5.883 50 30 EKEARN O=C1/C(=C/C=C/c2ccccc2)CCCC/C1=C\C=C\c1ccccc1 ZINC000004531650 210214896 /nfs/dbraw/zinc/21/48/96/210214896.db2.gz ONORUXCYOUKTBD-SQCMIGMYSA-N 0 0 340.466 6.409 50 30 EKEARN CC1C/C(=C\C=C\c2ccccc2)C(=O)/C(=C/C=C/c2ccccc2)C1 ZINC000004531651 210215372 /nfs/dbraw/zinc/21/53/72/210215372.db2.gz ODJVUQDVQMIDCB-MGQHZVHLSA-N 0 0 340.466 6.265 50 30 EKEARN O=C(/C=C/c1ccc(F)cc1)c1ccc(/N=C/c2ccccc2)cc1 ZINC000004534924 201604871 /nfs/dbraw/zinc/60/48/71/201604871.db2.gz AZDBXIFSGYNMRD-SQTMOLFMSA-N 0 0 329.374 5.472 50 30 EKEARN Oc1ccc(Cl)cc1/N=C/c1ccc(C#Cc2ccccc2)cc1 ZINC000004534926 210214627 /nfs/dbraw/zinc/21/46/27/210214627.db2.gz NTGJUUGNEBDILV-HZHRSRAPSA-N 0 0 331.802 5.196 50 30 EKEARN Cc1ccc(-c2csc(N=NCc3ccccc3Cl)n2)cc1 ZINC000004535079 563504717 /nfs/dbraw/zinc/50/47/17/563504717.db2.gz ZHVTYWAYWNSWFR-VXLYETTFSA-N 0 0 327.840 5.218 50 30 EKEARN O=C(/C=C/c1ccc(-c2c(Cl)cccc2Cl)o1)c1ccccc1 ZINC000004537199 563760488 /nfs/dbraw/zinc/76/04/88/563760488.db2.gz XVGRJSMOSRMBPS-PKNBQFBNSA-N 0 0 343.209 6.150 50 30 EKEARN O=C(/C=C/c1ccc(-c2c(Cl)cccc2Cl)o1)c1ccco1 ZINC000004537203 563504636 /nfs/dbraw/zinc/50/46/36/563504636.db2.gz MGMIATBMNYBFOK-SOFGYWHQSA-N 0 0 333.170 5.743 50 30 EKEARN C=CC[C@H]1Nc2ccc(C)cc2C=C1c1ccc2cc(C)ccc2n1 ZINC000004543958 210219489 /nfs/dbraw/zinc/21/94/89/210219489.db2.gz NUAXKEDDBCMELJ-JOCHJYFZSA-N 0 0 326.443 5.762 50 30 EKEARN C=CC[C@@H]1Nc2ccc(C)cc2C=C1c1ccc2cc(C)ccc2n1 ZINC000004543962 210219569 /nfs/dbraw/zinc/21/95/69/210219569.db2.gz NUAXKEDDBCMELJ-QFIPXVFZSA-N 0 0 326.443 5.762 50 30 EKEARN CC(=CC(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000004544695 210218833 /nfs/dbraw/zinc/21/88/33/210218833.db2.gz RPZDZBPWHBBVJD-PKNBQFBNSA-N 0 0 339.744 5.557 50 30 EKEARN Cc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)o1 ZINC000004544888 210219048 /nfs/dbraw/zinc/21/90/48/210219048.db2.gz GILUJSWGFKYLEA-PXLXIMEGSA-N 0 0 327.387 5.191 50 30 EKEARN O=C1/C(=C/c2cccc(Cl)c2)CC/C1=C\c1cccc(Cl)c1 ZINC000004547070 210219511 /nfs/dbraw/zinc/21/95/11/210219511.db2.gz DZXQDLISISAPAT-KAVGSWPWSA-N 0 0 329.226 5.823 50 30 EKEARN CC(=NNc1ccc(Cl)cc1)c1ccc2oc3ccccc3c2c1 ZINC000004547633 210219277 /nfs/dbraw/zinc/21/92/77/210219277.db2.gz HJZVALMFYUJSIZ-LPYMAVHISA-N 0 0 334.806 6.076 50 30 EKEARN CC(=C\c1ccccc1)/C=C1\CC/C(=C\C(C)=C\c2ccccc2)C1=O ZINC000004547642 210219181 /nfs/dbraw/zinc/21/91/81/210219181.db2.gz PGFMBHRQFRVHKD-REHGBKMDSA-N 0 0 340.466 6.409 50 30 EKEARN CC(C)(C)C1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000004547648 563505076 /nfs/dbraw/zinc/50/50/76/563505076.db2.gz MGORMIBKCGZSKY-OZNQKUEASA-N 0 0 330.471 6.179 50 30 EKEARN COC(=O)Nc1ccc(SCc2ccc(Cl)cc2Cl)cc1 ZINC000004549605 563765014 /nfs/dbraw/zinc/76/50/14/563765014.db2.gz BJNNHVOARBFMPE-UHFFFAOYSA-N 0 0 342.247 5.478 50 30 EKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000004549765 201606271 /nfs/dbraw/zinc/60/62/71/201606271.db2.gz DLCVQVUXUPBZQF-HYARGMPZSA-N 0 0 343.386 5.473 50 30 EKEARN CC(C)(C)n1cnc2cc(/N=C/c3cccc4ccccc34)ccc21 ZINC000004550095 563765051 /nfs/dbraw/zinc/76/50/51/563765051.db2.gz IWLQYTWCVYRRQE-OEAKJJBVSA-N 0 0 327.431 5.695 50 30 EKEARN CC(=NNc1ccc2ccccc2n1)c1ccc(-c2ccccc2)cc1 ZINC000004550378 563765255 /nfs/dbraw/zinc/76/52/55/563765255.db2.gz ZCILMUNBDSHFOV-KOEQRZSOSA-N 0 0 337.426 5.738 50 30 EKEARN Cc1ccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)cc1C ZINC000004550858 564111737 /nfs/dbraw/zinc/11/17/37/564111737.db2.gz AFXGAUKWCVYVOE-CCEZHUSRSA-N 0 0 327.427 5.779 50 30 EKEARN Cc1ccc(CSc2nc(-c3ccc(C)cc3)ccc2C#N)cc1 ZINC000004551323 563773900 /nfs/dbraw/zinc/77/39/00/563773900.db2.gz JIRRUCTYEUQDSH-UHFFFAOYSA-N 0 0 330.456 5.529 50 30 EKEARN CCCCCOc1ccc(C=NNc2ccc3ccccc3n2)cc1 ZINC000004561752 563782396 /nfs/dbraw/zinc/78/23/96/563782396.db2.gz CDASAOWYWKSXIA-CJLVFECKSA-N 0 0 333.435 5.250 50 30 EKEARN CCCCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000004561970 563780484 /nfs/dbraw/zinc/78/04/84/563780484.db2.gz ZPMYNYHMOSOAKK-UHFFFAOYSA-N 0 0 344.483 6.179 50 30 EKEARN CC(C)c1ccccc1NC=CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000004562019 563782431 /nfs/dbraw/zinc/78/24/31/563782431.db2.gz MLHVTRQISMEVDL-WUKNDPDISA-N 0 0 341.454 6.286 50 30 EKEARN CCCCCc1ccc(C(=O)/C=C/c2ccc(NC(C)=O)cc2)cc1 ZINC000004565469 257899803 /nfs/dbraw/zinc/89/98/03/257899803.db2.gz KYRBFXGYIUUGHL-LFIBNONCSA-N 0 0 335.447 5.274 50 30 EKEARN O=[N+]([O-])c1ccc(N=NC(N=Nc2ccccc2)c2ccccc2)cc1 ZINC000004566448 210222205 /nfs/dbraw/zinc/22/22/05/210222205.db2.gz USQPMEJHBDRXND-FACDVXMNSA-N 0 0 345.362 5.152 50 30 EKEARN O=[N+]([O-])c1cccc(N=NC(N=Nc2ccccc2)c2ccccc2)c1 ZINC000004566494 210222545 /nfs/dbraw/zinc/22/25/45/210222545.db2.gz GBRUPWJDPDSXQN-YMGPPEANSA-N 0 0 345.362 5.152 50 30 EKEARN COc1ccccc1N=NC(N=Nc1ccccc1)c1ccccc1 ZINC000004566495 563505332 /nfs/dbraw/zinc/50/53/32/563505332.db2.gz WHRLOJBDBSJHTC-JVVTXYFXSA-N 0 0 330.391 5.253 50 30 EKEARN Clc1ccc(N=NC(N=Nc2ccccc2)c2ccccc2)cc1 ZINC000004566497 563505290 /nfs/dbraw/zinc/50/52/90/563505290.db2.gz SSWHCGNJTZXDEV-IEDQNEBGSA-N 0 0 334.810 5.898 50 30 EKEARN FC(F)(F)c1ccccc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000004567554 210223894 /nfs/dbraw/zinc/22/38/94/210223894.db2.gz HLLIJGAEGDAOMP-FBHDLOMBSA-N 0 0 347.365 5.275 50 30 EKEARN Cc1sc(NC(=O)c2cccc(Oc3ccccc3)c2)c(C#N)c1C ZINC000004570311 210223844 /nfs/dbraw/zinc/22/38/44/210223844.db2.gz QSDQYWUIIMXVMY-UHFFFAOYSA-N 0 0 348.427 5.281 50 30 EKEARN Cc1sc(NC(=O)c2ccc(Oc3ccccc3)cc2)c(C#N)c1C ZINC000004570312 210223743 /nfs/dbraw/zinc/22/37/43/210223743.db2.gz BARDAVYHIUVGOC-UHFFFAOYSA-N 0 0 348.427 5.281 50 30 EKEARN Cc1sc(NC(=O)c2ccccc2Oc2ccccc2)c(C#N)c1C ZINC000004570318 563783108 /nfs/dbraw/zinc/78/31/08/563783108.db2.gz RURWXXPXYPIUMF-UHFFFAOYSA-N 0 0 348.427 5.281 50 30 EKEARN O=C1/C(=C/c2ccco2)CCC/C1=C\c1ccc(Cl)cc1Cl ZINC000004571968 201606737 /nfs/dbraw/zinc/60/67/37/201606737.db2.gz AAQBOIFIOHVUMO-UTLPMFLDSA-N 0 0 333.214 5.806 50 30 EKEARN C/C(=N\OC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C)cc1 ZINC000004575021 563505316 /nfs/dbraw/zinc/50/53/16/563505316.db2.gz RCGZSPZBCWVNQC-HAVVHWLPSA-N 0 0 329.399 5.243 50 30 EKEARN N#Cc1c2c(c(-c3cccc(C(F)(F)F)c3)[nH]c1=S)CCCC2 ZINC000004576271 210224732 /nfs/dbraw/zinc/22/47/32/210224732.db2.gz BECPHXGNOIBFML-UHFFFAOYSA-N 0 0 334.366 5.180 50 30 EKEARN CC1(C)[C@H]2CC[C@]1(C)/C(=N\OC(=O)c1ccc(-c3ccccc3)cc1)C2 ZINC000004577557 210224455 /nfs/dbraw/zinc/22/44/55/210224455.db2.gz AOWSCJKKFKCUOW-CIDYERKESA-N 0 0 347.458 5.713 50 30 EKEARN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\OC(=O)c1ccc(-c3ccccc3)cc1)C2 ZINC000004577558 210224561 /nfs/dbraw/zinc/22/45/61/210224561.db2.gz AOWSCJKKFKCUOW-SRHNDCNYSA-N 0 0 347.458 5.713 50 30 EKEARN CC1(C)[C@H]2CC[C@]1(C)/C(=N\OC(=O)c1ccc(Cl)cc1Cl)C2 ZINC000004578470 210225286 /nfs/dbraw/zinc/22/52/86/210225286.db2.gz REBJMFRQDKSDHF-CXGLGPAZSA-N 0 0 340.250 5.352 50 30 EKEARN CC(/C=C/c1ccccc1)=N\OC(=O)c1ccc(Cl)cc1Cl ZINC000004579521 210226362 /nfs/dbraw/zinc/22/63/62/210226362.db2.gz DXKCUSNXWLTQSZ-BYHMIWLJSA-N 0 0 334.202 5.240 50 30 EKEARN O=C(/C=C\c1c(Cl)cccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000004582652 210226186 /nfs/dbraw/zinc/22/61/86/210226186.db2.gz KJVUTWRGVHMSCU-ALCCZGGFSA-N 0 0 346.040 6.196 50 30 EKEARN O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000004582976 564093124 /nfs/dbraw/zinc/09/31/24/564093124.db2.gz ISDFLLZGOWAGAF-YTEMWHBBSA-N 0 0 338.406 5.479 50 30 EKEARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)ON=C1CCCCC1 ZINC000004583050 210226269 /nfs/dbraw/zinc/22/62/69/210226269.db2.gz BEGXJIIWTCJIKD-UHFFFAOYSA-N 0 0 335.618 5.515 50 30 EKEARN C=C(C)COc1cc2c(cc1C)oc(=O)cc2-c1cc2ccccc2o1 ZINC000004586222 210227498 /nfs/dbraw/zinc/22/74/98/210227498.db2.gz XNUXUJWQNVDBBE-UHFFFAOYSA-N 0 0 346.382 5.470 50 30 EKEARN C=C(C)COc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 ZINC000004586223 210227881 /nfs/dbraw/zinc/22/78/81/210227881.db2.gz WJVPAATZFXZXAM-UHFFFAOYSA-N 0 0 332.355 5.161 50 30 EKEARN CC(=NN=c1[nH]c2ccccc2s1)c1cccc(C(F)(F)F)c1 ZINC000004587160 210227411 /nfs/dbraw/zinc/22/74/11/210227411.db2.gz TWTJQDHKVSYJSD-UFFVCSGVSA-N 0 0 335.354 5.151 50 30 EKEARN CC(=NN=c1[nH]c2ccccc2s1)c1cc(F)c(Cl)cc1F ZINC000004587164 210228168 /nfs/dbraw/zinc/22/81/68/210228168.db2.gz XCDMGBVBAHOALX-DNTJNYDQSA-N 0 0 337.782 5.064 50 30 EKEARN CC(=NNc1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000004587179 210227886 /nfs/dbraw/zinc/22/78/86/210227886.db2.gz PBYMPKCTHUOFRD-OVCLIPMQSA-N 0 0 329.650 5.000 50 30 EKEARN O=C(/C=C/c1ccc(Cl)cc1Cl)c1cccc2ccccc21 ZINC000004587845 210227503 /nfs/dbraw/zinc/22/75/03/210227503.db2.gz JUFIJEPROUYJLV-PKNBQFBNSA-N 0 0 327.210 6.043 50 30 biogenic,in-vitro EKEARN CCOc1ccc(C(C)N=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000004589385 563810210 /nfs/dbraw/zinc/81/02/10/563810210.db2.gz AOEXOCBRANAYKM-KGENOOAVSA-N 0 0 337.448 5.045 50 30 EKEARN CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000004592942 210229045 /nfs/dbraw/zinc/22/90/45/210229045.db2.gz GKFQJEKJOVJPNX-RCCKNPSSSA-N 0 0 331.375 5.098 50 30 EKEARN CCCCCc1ccc(C(C)N=Nc2cc(Cl)nc(C)n2)cc1 ZINC000004595574 563505749 /nfs/dbraw/zinc/50/57/49/563505749.db2.gz XKHXAUHJIKDCLV-XKZIYDEJSA-N 0 0 330.863 5.007 50 30 EKEARN CCc1ccc(C(C)N=Nc2nc(-c3ccccc3)nc(C)c2C)cc1 ZINC000004595689 523869634 /nfs/dbraw/zinc/86/96/34/523869634.db2.gz PAOUJFRLWSMABK-KOEQRZSOSA-N 0 0 344.462 5.159 50 30 EKEARN C(=NNc1ccc2ccccc2c1)c1c2ccccc2cc2ccccc21 ZINC000004598743 210229738 /nfs/dbraw/zinc/22/97/38/210229738.db2.gz YLNWSFWJENUHPX-YZSQISJMSA-N 0 0 346.433 6.592 50 30 EKEARN Oc1c(/C=N/c2ccc(Br)cc2F)ccc2ccccc12 ZINC000004599208 210230796 /nfs/dbraw/zinc/23/07/96/210230796.db2.gz MEEOLWVLIAVORZ-KEBDBYFISA-N 0 0 344.183 5.198 50 30 EKEARN COc1ccc(C(=O)C=C(C)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000004599326 210230101 /nfs/dbraw/zinc/23/01/01/210230101.db2.gz HRGYGQNZTYSZNT-YRNVUSSQSA-N 0 0 336.218 5.201 50 30 EKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)s1 ZINC000004599770 563505783 /nfs/dbraw/zinc/50/57/83/563505783.db2.gz UCCAPMUPCMZLCE-QLEYDUCCSA-N 0 0 336.376 5.822 50 30 EKEARN COc1ccc(-c2cc(-c3ccccc3)[nH]c(=S)c2C#N)cc1C ZINC000004604718 210230482 /nfs/dbraw/zinc/23/04/82/210230482.db2.gz VEDBFQALLFYWLI-UHFFFAOYSA-N 0 0 332.428 5.267 50 30 EKEARN C(=NNc1ccc2ccccc2n1)c1c2ccccc2cc2ccccc21 ZINC000004608498 210232155 /nfs/dbraw/zinc/23/21/55/210232155.db2.gz WPUVNKVSYJGULS-PCLIKHOPSA-N 0 0 347.421 5.987 50 30 EKEARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 ZINC000004614280 201607335 /nfs/dbraw/zinc/60/73/35/201607335.db2.gz KUDUGKHMTPCYCN-NTEUORMPSA-N 0 0 329.355 5.158 50 30 EKEARN CCOc1ccccc1/C=C1\CC/C(=C\c2ccccc2OCC)C1=O ZINC000004614457 563506050 /nfs/dbraw/zinc/50/60/50/563506050.db2.gz HKVWBUFCNNHILG-MXWIWYRXSA-N 0 0 348.442 5.314 50 30 EKEARN C=CCn1c(-c2ccccc2)cs/c1=N\c1cccc2ccccc21 ZINC000004614707 210231647 /nfs/dbraw/zinc/23/16/47/210231647.db2.gz GAVRNUNWQYXBAL-FCQUAONHSA-N 0 0 342.467 5.788 50 30 EKEARN CCCSc1nc2c(c(C(F)(F)F)c1C#N)CCCCCC2 ZINC000004620404 210233900 /nfs/dbraw/zinc/23/39/00/210233900.db2.gz XXCCYHLOOAFEQX-UHFFFAOYSA-N 0 0 328.403 5.133 50 30 EKEARN CC(=NNc1cccc2cccnc21)c1ccc2c3c(cccc31)CC2 ZINC000004646441 210237422 /nfs/dbraw/zinc/23/74/22/210237422.db2.gz NIMCGIMERAGMGD-MFKUBSTISA-N 0 0 337.426 5.323 50 30 EKEARN CCSc1nc2c(c(-c3cccs3)c1C#N)-c1ccccc1C2=O ZINC000004648836 201608263 /nfs/dbraw/zinc/60/82/63/201608263.db2.gz AJDPIYHHUGSUCU-UHFFFAOYSA-N 0 0 348.452 5.005 50 30 EKEARN CCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(SC)cc2)cc1 ZINC000004649228 519877574 /nfs/dbraw/zinc/87/75/74/519877574.db2.gz VEFXKVBNRAZUAN-VGOFMYFVSA-N 0 0 339.460 5.043 50 30 aggregator EKEARN CCCOc1ccc(C(=O)O/N=C(\C)c2ccc(C(C)C)cc2)cc1 ZINC000004651778 520338742 /nfs/dbraw/zinc/33/87/42/520338742.db2.gz KMVPFWZAGAIQQW-CJLVFECKSA-N 0 0 339.435 5.180 50 30 EKEARN C/C(=N\OC(=O)c1ccc(OC(C)C)cc1)c1ccc(C(C)C)cc1 ZINC000004651779 518470057 /nfs/dbraw/zinc/47/00/57/518470057.db2.gz CWPLDPOPNNGARQ-CJLVFECKSA-N 0 0 339.435 5.178 50 30 EKEARN CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc2c(c1)CCC2 ZINC000004652645 518467540 /nfs/dbraw/zinc/46/75/40/518467540.db2.gz AVOWKNSWYWSXLD-HYARGMPZSA-N 0 0 333.460 5.135 50 30 EKEARN N#Cc1c(C(F)(F)F)cc(C23CC4CC(CC(C4)C2)C3)[nH]c1=S ZINC000004652873 563963427 /nfs/dbraw/zinc/96/34/27/563963427.db2.gz AVYUICLWHSZTAK-UHFFFAOYSA-N 0 0 338.398 5.102 50 30 EKEARN CC(C)(C)[C@@H]1CCc2[nH]c(=S)c(C#N)c(-c3cccs3)c2C1 ZINC000004655604 210238681 /nfs/dbraw/zinc/23/86/81/210238681.db2.gz SZJCKCCZTLSGAX-LLVKDONJSA-N 0 0 328.506 5.495 50 30 EKEARN CC(C)(C)[C@H]1CCc2[nH]c(=S)c(C#N)c(-c3cccs3)c2C1 ZINC000004655605 210238465 /nfs/dbraw/zinc/23/84/65/210238465.db2.gz SZJCKCCZTLSGAX-NSHDSACASA-N 0 0 328.506 5.495 50 30 EKEARN C=CCCCCCCCCC(=O)Nc1cc(Cl)ccc1Cl ZINC000004659196 518697631 /nfs/dbraw/zinc/69/76/31/518697631.db2.gz UXUKXPKAYYKWRQ-UHFFFAOYSA-N 0 0 328.283 6.239 50 30 EKEARN C=CCCCCCCCCC(=O)Nc1ccccc1C(=O)OCC ZINC000004659274 210239444 /nfs/dbraw/zinc/23/94/44/210239444.db2.gz YMZXVZBZVLSFCV-UHFFFAOYSA-N 0 0 331.456 5.109 50 30 EKEARN C=CCCCCCCCCC(=O)Nc1cccc(C(=O)OCC)c1 ZINC000004659275 210240026 /nfs/dbraw/zinc/24/00/26/210240026.db2.gz GDWUPVQSEFGCPM-UHFFFAOYSA-N 0 0 331.456 5.109 50 30 EKEARN CSC1=N/C(=C\c2c3ccccc3cc3ccccc32)C(=O)S1 ZINC000004660065 210240225 /nfs/dbraw/zinc/24/02/25/210240225.db2.gz LBCULPWZCDZDNW-BOPFTXTBSA-N 0 0 335.453 5.326 50 30 EKEARN O=C(C=C(Nc1cccc2ccccc21)c1cccs1)C(F)(F)F ZINC000004661752 210239419 /nfs/dbraw/zinc/23/94/19/210239419.db2.gz IGGOTFQNCHDLAT-PTNGSMBKSA-N 0 0 347.361 5.486 50 30 EKEARN CCCCn1c2ccccc2nc1/N=C/c1c(O)ccc2ccccc21 ZINC000004663459 563963533 /nfs/dbraw/zinc/96/35/33/563963533.db2.gz ZRDSZWIBYZBSOE-HZHRSRAPSA-N 0 0 343.430 5.446 50 30 EKEARN Cc1ccc(CNC=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000004663922 524426362 /nfs/dbraw/zinc/42/63/62/524426362.db2.gz ATIGAWCSYMZKOG-FOCLMDBBSA-N 0 0 327.427 5.148 50 30 EKEARN C=CC[C@@]1(c2ccccc2)c2ccccc2N(c2ccccc2)C1=O ZINC000004665038 210241752 /nfs/dbraw/zinc/24/17/52/210241752.db2.gz LBIZGRTVIHMCLN-HSZRJFAPSA-N 0 0 325.411 5.227 50 30 EKEARN O=C(/C=C(\SCc1ccccc1)c1ccccc1)c1ccccc1 ZINC000004666810 527592956 /nfs/dbraw/zinc/59/29/56/527592956.db2.gz XTLOTZWOPOPWJJ-JWGURIENSA-N 0 0 330.452 5.844 50 30 EKEARN COc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2C)cc1 ZINC000004670368 564065865 /nfs/dbraw/zinc/06/58/65/564065865.db2.gz HNZDBOQCYDQVMN-RGVLZGJSSA-N 0 0 342.851 5.531 50 30 EKEARN Oc1c(/C=N/c2ccc(Cl)c(C(F)(F)F)c2)ccc2ccccc12 ZINC000004670579 210243182 /nfs/dbraw/zinc/24/31/82/210243182.db2.gz PPQOKQGJKDEZAY-AUEPDCJTSA-N 0 0 349.739 5.968 50 30 EKEARN C=CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1OC ZINC000004670820 210242671 /nfs/dbraw/zinc/24/26/71/210242671.db2.gz MOWWFPYFBYXANJ-UHFFFAOYSA-N 0 0 338.234 5.179 50 30 EKEARN C=CCOc1c(Cl)cc(CNc2ccc(Cl)cc2)cc1OC ZINC000004670824 519006060 /nfs/dbraw/zinc/00/60/60/519006060.db2.gz OVLUUQVQKMFZMK-UHFFFAOYSA-N 0 0 338.234 5.179 50 30 EKEARN COc1ccc(/C=C/C(=O)c2sc(-c3cccs3)nc2C)cc1 ZINC000004671350 563507589 /nfs/dbraw/zinc/50/75/89/563507589.db2.gz UJYQMIIYJOUHHW-JXMROGBWSA-N 0 0 341.457 5.085 50 30 EKEARN Cc1ccsc1/C=C1\S/C(=N\c2ccccc2)N(C(C)C)C1=O ZINC000004673279 201610852 /nfs/dbraw/zinc/61/08/52/201610852.db2.gz DAIGAYWNXAZHEF-UGZHYMOWSA-N 0 0 342.489 5.069 50 30 EKEARN CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCC1 ZINC000004674574 201610724 /nfs/dbraw/zinc/61/07/24/201610724.db2.gz GIYUPBSLXSTFOA-UHFFFAOYSA-N 0 0 346.478 5.001 50 30 EKEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCCC1 ZINC000004675130 563963605 /nfs/dbraw/zinc/96/36/05/563963605.db2.gz PFWQNGFFTPZRIV-UHFFFAOYSA-N 0 0 346.478 5.001 50 30 EKEARN Cc1ccc(C)n1-c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000004680671 210246820 /nfs/dbraw/zinc/24/68/20/210246820.db2.gz YZBGIFCZWAPPSF-UHFFFAOYSA-N 0 0 338.410 5.893 50 30 EKEARN N#C[C@@H](c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000004685288 210247885 /nfs/dbraw/zinc/24/78/85/210247885.db2.gz SRQRABGFISPHTD-GOTSBHOMSA-N 0 0 337.426 5.103 50 30 EKEARN N#C[C@@H](c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000004685289 210247597 /nfs/dbraw/zinc/24/75/97/210247597.db2.gz SRQRABGFISPHTD-PKTZIBPZSA-N 0 0 337.426 5.103 50 30 EKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000004689448 210249278 /nfs/dbraw/zinc/24/92/78/210249278.db2.gz ASOKJDFMQHQHEZ-UHFFFAOYSA-N 0 0 348.402 5.101 50 30 EKEARN Cc1ccc(/C=C2\CCC/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000004692960 201612253 /nfs/dbraw/zinc/61/22/53/201612253.db2.gz XRVHIMKXCORZGN-JIBZRZDWSA-N 0 0 333.387 5.123 50 30 EKEARN CC(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000004693429 210249389 /nfs/dbraw/zinc/24/93/89/210249389.db2.gz BLRYANQKLDMIRG-DFEHQXHXSA-N 0 0 344.498 6.763 50 30 EKEARN O=C(C=CNc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000004695421 563508090 /nfs/dbraw/zinc/50/80/90/563508090.db2.gz AXHDWTFJIYFSBL-KTKRTIGZSA-N 0 0 341.716 5.047 50 30 EKEARN O=C1/C(=C/c2cc3ccccc3o2)CC/C1=C\c1cc2ccccc2o1 ZINC000004696589 210250157 /nfs/dbraw/zinc/25/01/57/210250157.db2.gz PYYCSKBATGPJKY-HBKJEHTGSA-N 0 0 340.378 6.009 50 30 EKEARN O=C(/C=C\c1ccccc1)c1cccc(C(=O)/C=C\c2ccccc2)c1 ZINC000004701169 527657574 /nfs/dbraw/zinc/65/75/74/527657574.db2.gz KFLSRZNJOXWKIK-RYOQUFEFSA-N 0 0 338.406 5.479 50 30 EKEARN c1ccc(CC(=NNc2ccccc2)c2cccc3ccccc32)cc1 ZINC000004701196 526462335 /nfs/dbraw/zinc/46/23/35/526462335.db2.gz PUHONFCWYSYNBO-SHHOIMCASA-N 0 0 336.438 5.899 50 30 EKEARN c1ccc(CC(=NNc2ccccc2)c2ccc3ccccc3c2)cc1 ZINC000004701197 526459893 /nfs/dbraw/zinc/45/98/93/526459893.db2.gz RVACYFKHJLTKHI-SHHOIMCASA-N 0 0 336.438 5.899 50 30 EKEARN C=CCc1ccc(OCCCCOc2cccc(C)c2C)c(OC)c1 ZINC000004702046 519135787 /nfs/dbraw/zinc/13/57/87/519135787.db2.gz UPXJZEPTNDSBQX-UHFFFAOYSA-N 0 0 340.463 5.279 50 30 EKEARN CCOc1ccc(NC=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000004706694 210254211 /nfs/dbraw/zinc/25/42/11/210254211.db2.gz AXCOALJMTIXIST-KTKRTIGZSA-N 0 0 336.218 5.201 50 30 EKEARN CC(=O)c1cccc(NC=CC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000004706712 518424014 /nfs/dbraw/zinc/42/40/14/518424014.db2.gz ILLCTVTVFREUDI-FPLPWBNLSA-N 0 0 334.202 5.005 50 30 EKEARN CC(=O)c1ccc(NC=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000004706750 563508558 /nfs/dbraw/zinc/50/85/58/563508558.db2.gz QNGVTLLHVVEKCP-HJWRWDBZSA-N 0 0 334.202 5.005 50 30 EKEARN COc1ccc2c(c1)CC/C(=C\c1ccc(Cl)cc1Cl)C2=O ZINC000004709580 210254671 /nfs/dbraw/zinc/25/46/71/210254671.db2.gz XKAFOAJDVIJIIV-MDWZMJQESA-N 0 0 333.214 5.215 50 30 EKEARN O=C1/C(=C/c2ccc(Cl)cc2)COC/C1=C\c1ccc(Cl)cc1 ZINC000004709866 210255875 /nfs/dbraw/zinc/25/58/75/210255875.db2.gz LWXYASRININMSA-KAVGSWPWSA-N 0 0 345.225 5.060 50 30 EKEARN CCCOc1ccc(/C=C2/Sc3ccccc3C2=O)cc1OCC ZINC000004714205 564013900 /nfs/dbraw/zinc/01/39/00/564013900.db2.gz QEJJMJMGNUHBMT-CPNJWEJPSA-N 0 0 340.444 5.204 50 30 EKEARN Oc1ccc2ccccc2c1/C=N/N(c1ccccc1)c1ccccc1 ZINC000004714728 210256786 /nfs/dbraw/zinc/25/67/86/210256786.db2.gz VEEUFMBFBQZWGF-JJIBRWJFSA-N 0 0 338.410 5.718 50 30 EKEARN O=C(C=CNc1ccc(Cl)c(Cl)c1)c1cccc2ccccc21 ZINC000004714853 210256885 /nfs/dbraw/zinc/25/68/85/210256885.db2.gz IXERYVLGVPLITO-ZHACJKMWSA-N 0 0 342.225 5.955 50 30 EKEARN CCOc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000004725210 563509162 /nfs/dbraw/zinc/50/91/62/563509162.db2.gz DZTCTXHMOFWICV-LICLKQGHSA-N 0 0 328.411 5.648 50 30 EKEARN CC1(C)CC(=O)C(=CNc2ccc(N=Nc3ccccc3)cc2)C(=O)C1 ZINC000004729420 201614276 /nfs/dbraw/zinc/61/42/76/201614276.db2.gz XHHQDCMXOJLYFP-WCWDXBQESA-N 0 0 347.418 5.356 50 30 EKEARN CN(C)c1ccc(N=NC(N=Nc2ccccc2)c2ccccc2)cc1 ZINC000004733260 522137916 /nfs/dbraw/zinc/13/79/16/522137916.db2.gz GVGRXNFVDRAVMJ-WQQFVFIJSA-N 0 0 343.434 5.310 50 30 EKEARN CC1(C)C/C(=N\O)[C@@H]2C=C(c3ccccc3)N(c3ccccc3)[C@@H]2C1 ZINC000004733298 210264637 /nfs/dbraw/zinc/26/46/37/210264637.db2.gz NZYZTHSCGJTRQR-NXMANWDSSA-N 0 0 332.447 5.183 50 30 EKEARN CC1(C)C/C(=N\O)[C@@H]2C=C(c3ccccc3)N(c3ccccc3)[C@H]2C1 ZINC000004733302 210263712 /nfs/dbraw/zinc/26/37/12/210263712.db2.gz NZYZTHSCGJTRQR-MPUDGSPWSA-N 0 0 332.447 5.183 50 30 EKEARN CC1(C)C/C(=N\O)[C@H]2C=C(c3ccccc3)N(c3ccccc3)[C@@H]2C1 ZINC000004733303 563971814 /nfs/dbraw/zinc/97/18/14/563971814.db2.gz NZYZTHSCGJTRQR-AOSVCMBKSA-N 0 0 332.447 5.183 50 30 EKEARN CC1(C)C/C(=N\O)[C@H]2C=C(c3ccccc3)N(c3ccccc3)[C@H]2C1 ZINC000004733306 210263627 /nfs/dbraw/zinc/26/36/27/210263627.db2.gz NZYZTHSCGJTRQR-DQTIAJCKSA-N 0 0 332.447 5.183 50 30 EKEARN CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 ZINC000004737552 210264667 /nfs/dbraw/zinc/26/46/67/210264667.db2.gz YHCDOIZGLFQUBS-RCCKNPSSSA-N 0 0 331.375 5.098 50 30 EKEARN Cc1ccccc1NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000004737763 210264848 /nfs/dbraw/zinc/26/48/48/210264848.db2.gz HJDFASLHRREGLG-SRZZPIQSSA-N 0 0 345.229 6.008 50 30 EKEARN Brc1ccc(-c2ccc(C=NNc3ccccc3)o2)cc1 ZINC000004738096 210264333 /nfs/dbraw/zinc/26/43/33/210264333.db2.gz MEPJYAICGBUJSI-XDHOZWIPSA-N 0 0 341.208 5.155 50 30 EKEARN CC(=NNc1c(Cl)cncc1Cl)c1csc2ccccc12 ZINC000004738219 210264193 /nfs/dbraw/zinc/26/41/93/210264193.db2.gz MCAKPDFSPISADD-OCKHKDLRSA-N 0 0 336.247 5.439 50 30 EKEARN Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000004738837 210263866 /nfs/dbraw/zinc/26/38/66/210263866.db2.gz QMIYLAQKKPXLLZ-MFKUBSTISA-N 0 0 344.502 6.585 50 30 EKEARN Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000004738838 563509629 /nfs/dbraw/zinc/50/96/29/563509629.db2.gz OVZQUWZTCZMLHN-LPYMAVHISA-N 0 0 347.418 5.370 50 30 EKEARN Clc1ccc(Sc2ccc(C=NNc3ccccc3)o2)cc1 ZINC000004738870 526960919 /nfs/dbraw/zinc/96/09/19/526960919.db2.gz BVYRARPQDANEAN-XDHOZWIPSA-N 0 0 328.824 5.530 50 30 EKEARN CC1(C)CC(=O)C=C(Nc2ccccc2NC(=O)Nc2ccccc2)C1 ZINC000004741318 210265500 /nfs/dbraw/zinc/26/55/00/210265500.db2.gz PCBBNFJFWPKKAL-UHFFFAOYSA-N 0 0 349.434 5.016 50 30 EKEARN Clc1ccccc1/C=N/c1nc2ccccc2n1Cc1ccccc1 ZINC000004741743 210265071 /nfs/dbraw/zinc/26/50/71/210265071.db2.gz BLPOLAVLLSCQCK-OEAKJJBVSA-N 0 0 345.833 5.489 50 30 EKEARN CN(C)/C=N/c1nc(-c2c3ccccc3cc3ccccc32)cs1 ZINC000004746585 210268524 /nfs/dbraw/zinc/26/85/24/210268524.db2.gz PYOVDFIKAZDYOR-FYJGNVAPSA-N 0 0 331.444 5.338 50 30 EKEARN C(=NN=c1[nH]c2ccccc2o1)c1cccc(Oc2ccccc2)c1 ZINC000004746677 210268651 /nfs/dbraw/zinc/26/86/51/210268651.db2.gz OJBYBJVELBTDND-KGENOOAVSA-N 0 0 329.359 5.066 50 30 EKEARN Cc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)C[C@@H](C)C3)cc1 ZINC000004747127 210269266 /nfs/dbraw/zinc/26/92/66/210269266.db2.gz HXCUOMWEFYLIDI-LHSJRXKWSA-N 0 0 335.472 5.507 50 30 EKEARN Cc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)C[C@@H](C)C3)cc1 ZINC000004747130 210269029 /nfs/dbraw/zinc/26/90/29/210269029.db2.gz HXCUOMWEFYLIDI-QKKBWIMNSA-N 0 0 335.472 5.507 50 30 EKEARN Cc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)C[C@H](C)C3)cc1 ZINC000004747131 210269035 /nfs/dbraw/zinc/26/90/35/210269035.db2.gz HXCUOMWEFYLIDI-SPLOXXLWSA-N 0 0 335.472 5.507 50 30 EKEARN Cc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)C[C@H](C)C3)cc1 ZINC000004747133 210269345 /nfs/dbraw/zinc/26/93/45/210269345.db2.gz HXCUOMWEFYLIDI-SZNDQCEHSA-N 0 0 335.472 5.507 50 30 EKEARN Cc1sc(NC(=O)CCc2ccccc2)c(C#N)c1-c1ccccc1 ZINC000004750478 563973152 /nfs/dbraw/zinc/97/31/52/563973152.db2.gz LZRGYXXDOPWLNK-UHFFFAOYSA-N 0 0 346.455 5.167 50 30 EKEARN C[C@H](/N=C/c1c(O)ccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000004750780 210270396 /nfs/dbraw/zinc/27/03/96/210270396.db2.gz RNZUDPKMBBZDPS-XZYWMSRZSA-N 0 0 333.475 5.569 50 30 EKEARN C[C@@H](/N=C/c1c(O)ccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000004750781 563973142 /nfs/dbraw/zinc/97/31/42/563973142.db2.gz RNZUDPKMBBZDPS-VNSUDANBSA-N 0 0 333.475 5.569 50 30 EKEARN CCOc1ccc(NC(=CC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000004754471 521030932 /nfs/dbraw/zinc/03/09/32/521030932.db2.gz WOSMLJUEAQOVSM-XLNRJJMWSA-N 0 0 343.426 5.421 50 30 EKEARN CCSC1=N/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)S1 ZINC000004755160 210272177 /nfs/dbraw/zinc/27/21/77/210272177.db2.gz MJNLMYOYHCCQCT-LCYFTJDESA-N 0 0 349.864 5.323 50 30 EKEARN CCSC1=N/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)S1 ZINC000004755196 563510488 /nfs/dbraw/zinc/51/04/88/563510488.db2.gz FYOVORPNCWBLQD-LCYFTJDESA-N 0 0 349.864 5.323 50 30 EKEARN CCSC1=N/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)S1 ZINC000004755447 210272382 /nfs/dbraw/zinc/27/23/82/210272382.db2.gz ZHUUZOYDTQXMMN-LCYFTJDESA-N 0 0 349.864 5.323 50 30 EKEARN Cc1cc2c(cc1C)N[C@@H](c1ccco1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004759608 210271770 /nfs/dbraw/zinc/27/17/70/210271770.db2.gz NRJFGZWTPJLJFG-FQEVSTJZSA-N 0 0 336.435 5.118 50 30 EKEARN Cc1cc2c(cc1C)N[C@H](c1ccco1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004759612 210271691 /nfs/dbraw/zinc/27/16/91/210271691.db2.gz NRJFGZWTPJLJFG-HXUWFJFHSA-N 0 0 336.435 5.118 50 30 EKEARN O=C(CCCC(=NNc1ccccc1)c1ccccc1)c1ccccc1 ZINC000004763132 526394197 /nfs/dbraw/zinc/39/41/97/526394197.db2.gz VRTHODKIAPQYRC-LVWGJNHUSA-N 0 0 342.442 5.556 50 30 EKEARN N#C[C@@H]1[C@@H](/N=C/c2ccccc2)c2ccccc2CC12CCCCC2 ZINC000004764420 563973571 /nfs/dbraw/zinc/97/35/71/563973571.db2.gz VMCKZKAPFGYVEA-UEZCRDCJSA-N 0 0 328.459 5.493 50 30 EKEARN N#C[C@H]1[C@H](/N=C/c2ccccc2)c2ccccc2CC12CCCCC2 ZINC000004764422 210273365 /nfs/dbraw/zinc/27/33/65/210273365.db2.gz VMCKZKAPFGYVEA-SBNMFCHZSA-N 0 0 328.459 5.493 50 30 EKEARN N#C[C@H]1[C@@H](/N=C/c2ccccc2)c2ccccc2CC12CCCCC2 ZINC000004764425 210273570 /nfs/dbraw/zinc/27/35/70/210273570.db2.gz VMCKZKAPFGYVEA-DKRSJTHXSA-N 0 0 328.459 5.493 50 30 EKEARN Cc1ccc(CN=Nc2nc(-c3ccc(F)cc3)cs2)c(C)c1 ZINC000004766814 563973607 /nfs/dbraw/zinc/97/36/07/563973607.db2.gz OSVQQQVHAIECEB-KEBDBYFISA-N 0 0 325.412 5.012 50 30 EKEARN Cc1sc(N=NCc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000004766819 210273881 /nfs/dbraw/zinc/27/38/81/210273881.db2.gz YILAQWWVXXCBHN-YBFXNURJSA-N 0 0 327.840 5.218 50 30 EKEARN Cc1cc(N2Cc3ccccc3C2)ccc1/N=N/c1ccc(C#N)cc1 ZINC000004774689 210275778 /nfs/dbraw/zinc/27/57/78/210275778.db2.gz GXIKGBHTMFETCI-OCOZRVBESA-N 0 0 338.414 5.802 50 30 EKEARN O=[N+]([O-])c1ccc(/N=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000004774704 210275929 /nfs/dbraw/zinc/27/59/29/210275929.db2.gz TUWBQJMDQGUWGQ-HYARGMPZSA-N 0 0 326.355 5.652 50 30 EKEARN FC(F)(F)c1ccccc1/N=C/c1c2ccccc2cc2ccccc21 ZINC000004774712 210275590 /nfs/dbraw/zinc/27/55/90/210275590.db2.gz HSUWJJNTJTWZSH-VULFUBBASA-N 0 0 349.355 6.762 50 30 EKEARN Cc1cc([N+](=O)[O-])ccc1/N=C/c1c2ccccc2cc2ccccc12 ZINC000004774785 210276007 /nfs/dbraw/zinc/27/60/07/210276007.db2.gz DTJGDQZUGNNHDV-OEAKJJBVSA-N 0 0 340.382 5.960 50 30 EKEARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000004775002 563510778 /nfs/dbraw/zinc/51/07/78/563510778.db2.gz AKYYUDMOJHBIGY-OVCLIPMQSA-N 0 0 348.829 5.815 50 30 EKEARN Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000004775305 210275534 /nfs/dbraw/zinc/27/55/34/210275534.db2.gz NRODJPGJMUQZBB-LFIBNONCSA-N 0 0 328.411 5.470 50 30 EKEARN C(=C/c1ccccc1)\C=N\c1ccc(/N=C/C=C/c2ccccc2)cc1 ZINC000004775384 210275302 /nfs/dbraw/zinc/27/53/02/210275302.db2.gz WUURTKBHJVQPTP-YVLAXRKASA-N 0 0 336.438 6.518 50 30 EKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 ZINC000004775388 210276038 /nfs/dbraw/zinc/27/60/38/210276038.db2.gz JAJKSQUGVMNZJX-LFYBBSHMSA-N 0 0 329.237 5.469 50 30 EKEARN O=C1c2ccccc2CC/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000004775562 210275324 /nfs/dbraw/zinc/27/53/24/210275324.db2.gz NPHCHRKNCBGLCF-PGMHBOJBSA-N 0 0 340.422 5.478 50 30 EKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(F)c1 ZINC000004776166 210274998 /nfs/dbraw/zinc/27/49/98/210274998.db2.gz DOHXKWZXZZOZKB-UHFFFAOYSA-N 0 0 348.402 5.101 50 30 EKEARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)ON=C1CCCCC1 ZINC000004776443 210275259 /nfs/dbraw/zinc/27/52/59/210275259.db2.gz AHIILJAWAHJMLB-UHFFFAOYSA-N 0 0 334.725 5.227 50 30 EKEARN Cc1cc(-c2oc(N)c(C#N)c2-c2cc(C)sc2C)c(C)s1 ZINC000004785101 210278099 /nfs/dbraw/zinc/27/80/99/210278099.db2.gz PGNGJYRCLRHTPG-UHFFFAOYSA-N 0 0 328.462 5.424 50 30 EKEARN CC(C)c1cc(C(C)C)c(C(=O)/C=C/c2ccccc2)c(C(C)C)c1 ZINC000004794635 210278683 /nfs/dbraw/zinc/27/86/83/210278683.db2.gz NEIYJVYRNDMKGR-OUKQBFOZSA-N 0 0 334.503 6.953 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(F)cc1 ZINC000004794832 210280273 /nfs/dbraw/zinc/28/02/73/210280273.db2.gz ZJUIKJDXRMNKLF-FQEVSTJZSA-N 0 0 336.410 5.048 50 30 EKEARN O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 ZINC000004795885 563511348 /nfs/dbraw/zinc/51/13/48/563511348.db2.gz LKRCMMSGFQSAPC-CSKARUKUSA-N 0 0 327.210 6.043 50 30 EKEARN O=C(/C(=C/c1ccc(F)cc1)c1nc2ccccc2o1)c1ccccc1 ZINC000004803433 210280075 /nfs/dbraw/zinc/28/00/75/210280075.db2.gz GFYVTCJBXRZADK-JXAWBTAJSA-N 0 0 343.357 5.390 50 30 EKEARN Cc1ccsc1/C=C(/C(=O)c1ccccc1)c1nc2ccccc2o1 ZINC000004803491 563511534 /nfs/dbraw/zinc/51/15/34/563511534.db2.gz RJQGWHUBUZVJTP-SSZFMOIBSA-N 0 0 345.423 5.621 50 30 EKEARN COc1ccc(/N=C/c2sc3ccccc3c2Cl)c([N+](=O)[O-])c1 ZINC000004805458 210281481 /nfs/dbraw/zinc/28/14/81/210281481.db2.gz AAYIVONWUUXWMB-GIJQJNRQSA-N 0 0 346.795 5.222 50 30 EKEARN Clc1ccc(-c2ccc(C=NNc3ccccc3)o2)cc1Cl ZINC000004808302 210281891 /nfs/dbraw/zinc/28/18/91/210281891.db2.gz MMPPVVTTZHVPFY-RGVLZGJSSA-N 0 0 331.202 5.699 50 30 EKEARN C(=NNc1nc2ccccc2c2ccccc21)c1c[nH]c2ccccc12 ZINC000004808446 563974901 /nfs/dbraw/zinc/97/49/01/563974901.db2.gz UBMDJTIFWLNTDY-ZVHZXABRSA-N 0 0 336.398 5.315 50 30 EKEARN O=C(/C=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 ZINC000004809015 527646933 /nfs/dbraw/zinc/64/69/33/527646933.db2.gz PJKNRGNGOCKIFF-FOCLMDBBSA-N 0 0 337.422 5.586 50 30 EKEARN COc1cc(C#N)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000004809045 210282239 /nfs/dbraw/zinc/28/22/39/210282239.db2.gz SUBDJHAEUBWRNL-UHFFFAOYSA-N 0 0 342.609 5.106 50 30 EKEARN COc1ccc(C(=O)C=C(C)Nc2cccc(Cl)c2Cl)cc1 ZINC000004811639 563511545 /nfs/dbraw/zinc/51/15/45/563511545.db2.gz GCVBDNCOYPPGRJ-ZHACJKMWSA-N 0 0 336.218 5.201 50 30 EKEARN CC(=CC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000004812641 563511559 /nfs/dbraw/zinc/51/15/59/563511559.db2.gz MFICLIKNBLUGOY-UXBLZVDNSA-N 0 0 340.637 5.845 50 30 EKEARN N#Cc1ccc(-c2ccc(NN=C3C=Cc4ccccc4C3=O)cc2)cc1 ZINC000004813936 210284833 /nfs/dbraw/zinc/28/48/33/210284833.db2.gz FLWHHTYEZKELCS-OCEACIFDSA-N 0 0 349.393 6.499 50 30 EKEARN CN(C)c1ccc(/C=C/C(=O)c2ccc(Nc3ccccc3)cc2)cc1 ZINC000004817356 522128508 /nfs/dbraw/zinc/12/85/08/522128508.db2.gz ZKKIZPSUHULGKF-LICLKQGHSA-N 0 0 342.442 5.392 50 30 EKEARN O=C(/C(=C/c1cccs1)c1nc2ccccc2o1)c1ccccc1 ZINC000004818483 527590578 /nfs/dbraw/zinc/59/05/78/527590578.db2.gz MFAWFIUAIALBNK-SSZFMOIBSA-N 0 0 331.396 5.313 50 30 EKEARN O=C(/C(=C/c1ccccc1)c1nc2ccccc2o1)c1ccccc1 ZINC000004818862 563511986 /nfs/dbraw/zinc/51/19/86/563511986.db2.gz GEWOTBHVOVAWPD-SDXDJHTJSA-N 0 0 325.367 5.251 50 30 EKEARN CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F ZINC000004819086 210286155 /nfs/dbraw/zinc/28/61/55/210286155.db2.gz KRSYJDLEIIHDDP-ZHACJKMWSA-N 0 0 339.744 5.557 50 30 EKEARN Cc1cc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)c([N+](=O)[O-])cc1C ZINC000004819124 210285783 /nfs/dbraw/zinc/28/57/83/210285783.db2.gz RUJTXVQRFCYYDG-CSKARUKUSA-N 0 0 347.370 5.368 50 30 EKEARN CC(=CC(=O)c1cccnc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000004819184 210286464 /nfs/dbraw/zinc/28/64/64/210286464.db2.gz TVUORSPKQYSZHK-JQIJEIRASA-N 0 0 330.387 5.073 50 30 EKEARN Cc1c([C@H]2[C@@H](CC#N)C2(C)C)c2ccccc2n1Cc1ccccc1 ZINC000004819825 210287660 /nfs/dbraw/zinc/28/76/60/210287660.db2.gz YBWPFPIKLZMLIK-DENIHFKCSA-N 0 0 328.459 5.651 50 30 EKEARN COc1ccc(C(=O)C=C(C)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000004819954 563512007 /nfs/dbraw/zinc/51/20/07/563512007.db2.gz ZWUPHNXEHFOYRP-PKNBQFBNSA-N 0 0 336.218 5.201 50 30 EKEARN COc1cccc(/C=C2\CC(C)C/C(=C\c3cccc(OC)c3)C2=O)c1 ZINC000004825980 210288578 /nfs/dbraw/zinc/28/85/78/210288578.db2.gz SJFIOYNCVQEMQP-KVOOEGMKSA-N 0 0 348.442 5.170 50 30 EKEARN CCOc1ccc(/C=C2\CC/C(=C\c3ccc(OCC)cc3)C2=O)cc1 ZINC000004826012 210288513 /nfs/dbraw/zinc/28/85/13/210288513.db2.gz UDQWEEICBYIJSL-MXWIWYRXSA-N 0 0 348.442 5.314 50 30 EKEARN O=C1/C(=C/c2ccco2)CC(c2ccccc2)C/C1=C\c1ccco1 ZINC000004826372 201621910 /nfs/dbraw/zinc/62/19/10/201621910.db2.gz NHMQLLNWBPNUOX-JSAVKQRWSA-N 0 0 330.383 5.486 50 30 EKEARN COc1ccc(/C=C2\CC/C(=C\CC(C)C)C2=O)cc1Br ZINC000004826705 210289233 /nfs/dbraw/zinc/28/92/33/210289233.db2.gz JRXPRLBDLOYKEP-ADKIHMAASA-N 0 0 349.268 5.177 50 30 EKEARN Cc1cccc(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)c1 ZINC000004828264 524215152 /nfs/dbraw/zinc/21/51/52/524215152.db2.gz BXKUHFRCLWGLOE-VAWYXSNFSA-N 0 0 347.439 5.205 50 30 aggregator EKEARN Cc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)cc1 ZINC000004828586 563512245 /nfs/dbraw/zinc/51/22/45/563512245.db2.gz LZSXHSUAHXJGMD-OUKQBFOZSA-N 0 0 347.439 5.205 50 30 EKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 ZINC000004832283 210291083 /nfs/dbraw/zinc/29/10/83/210291083.db2.gz DRIFKJBSZSVHBX-JXMROGBWSA-N 0 0 343.209 6.150 50 30 EKEARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)c1nc2ccccc2o1 ZINC000004834393 563984034 /nfs/dbraw/zinc/98/40/34/563984034.db2.gz YYUIDCVCZJFGLU-PKNBQFBNSA-N 0 0 349.773 5.637 50 30 EKEARN Cc1ccc2cc(C)c(NN=Cc3ccc(Cl)cc3Cl)nc2c1 ZINC000004834786 210292041 /nfs/dbraw/zinc/29/20/41/210292041.db2.gz YWVXCUMVYJPNBB-UFFVCSGVSA-N 0 0 344.245 5.604 50 30 EKEARN C=C(C(=O)c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000004836854 518584556 /nfs/dbraw/zinc/58/45/56/518584556.db2.gz NRJUDVPOGVERHI-JOCHJYFZSA-N 0 0 340.422 5.482 50 30 EKEARN Clc1ccc(Cl)c(-c2ccc(C=NNc3ccccc3)o2)c1 ZINC000004839256 210294261 /nfs/dbraw/zinc/29/42/61/210294261.db2.gz XGRBHLOXIGUEFS-RGVLZGJSSA-N 0 0 331.202 5.699 50 30 EKEARN N#Cc1ccccc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000004843327 563984586 /nfs/dbraw/zinc/98/45/86/563984586.db2.gz ZLQZTNRVGPVHOF-UHFFFAOYSA-N 0 0 344.439 5.103 50 30 EKEARN CCCCC/C(=N/c1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000004844085 519916542 /nfs/dbraw/zinc/91/65/42/519916542.db2.gz CPVDURPMVSVATN-NMWGTECJSA-N 0 0 336.504 6.200 50 30 EKEARN O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(C2CCCCC2)cc1 ZINC000004844615 210298083 /nfs/dbraw/zinc/29/80/83/210298083.db2.gz GKCFECRNPXEKRT-WUXMJOGZSA-N 0 0 334.415 5.359 50 30 EKEARN CCSC1=N/C(=C\c2cccc(Oc3ccccc3)c2)C(=O)S1 ZINC000004845109 521695280 /nfs/dbraw/zinc/69/52/80/521695280.db2.gz WHSLLKQXXOBYKD-VBKFSLOCSA-N 0 0 341.457 5.202 50 30 EKEARN O=C(/C=C1\O[C@@H](c2ccccc2)OC12CCCCC2)c1ccccc1 ZINC000004845862 210298027 /nfs/dbraw/zinc/29/80/27/210298027.db2.gz PRWMWTRXRKEELJ-OYQOIYBLSA-N 0 0 334.415 5.202 50 30 EKEARN O=C(/C=C1\O[C@H](c2ccccc2)OC12CCCCC2)c1ccccc1 ZINC000004845863 210297562 /nfs/dbraw/zinc/29/75/62/210297562.db2.gz PRWMWTRXRKEELJ-LDETYFQJSA-N 0 0 334.415 5.202 50 30 EKEARN O=C(/C(=C/c1cccs1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000004851369 563513534 /nfs/dbraw/zinc/51/35/34/563513534.db2.gz CNHFZJRGAWGWAF-SSZFMOIBSA-N 0 0 330.412 5.048 50 30 EKEARN O=C(/C(=C/c1ccc(F)cc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000004851371 210298742 /nfs/dbraw/zinc/29/87/42/210298742.db2.gz CGUMQAFNEWRLSK-JXAWBTAJSA-N 0 0 342.373 5.126 50 30 EKEARN O=C1/C(=C/c2c[nH]c3ccccc23)CC/C1=C\c1c[nH]c2ccccc12 ZINC000004854318 210302135 /nfs/dbraw/zinc/30/21/35/210302135.db2.gz XWKQDPZDSGUBDK-JOBJLJCHSA-N 0 0 338.410 5.479 50 30 EKEARN Cc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)cc1 ZINC000004857218 563992087 /nfs/dbraw/zinc/99/20/87/563992087.db2.gz LKCOMTOTVKCJHV-CYVLTUHYSA-N 0 0 339.394 5.560 50 30 EKEARN CCOc1ccc2cc(/C=C/C(=O)c3cccs3)c(Cl)nc2c1 ZINC000004859807 563992131 /nfs/dbraw/zinc/99/21/31/563992131.db2.gz MOBQUJLGRLDKRL-SOFGYWHQSA-N 0 0 343.835 5.245 50 30 EKEARN CCOc1ccc2cc(/C=C/C(=O)c3ccccc3)c(Cl)nc2c1 ZINC000004863057 563992149 /nfs/dbraw/zinc/99/21/49/563992149.db2.gz YOYALZSVFSYMNW-PKNBQFBNSA-N 0 0 337.806 5.183 50 30 EKEARN CC(C)(C)C1CCC(N=Nc2ccnc3cc(Cl)ccc23)CC1 ZINC000004863639 210304693 /nfs/dbraw/zinc/30/46/93/210304693.db2.gz TUNBPYGJWDCIDN-UHFFFAOYSA-N 0 0 329.875 5.892 50 30 EKEARN Cc1ccccc1C(=O)Oc1ccccc1/C=C/C(=O)c1ccccc1 ZINC000004865605 525065723 /nfs/dbraw/zinc/06/57/23/525065723.db2.gz UEQGDRKZHKMYKT-FOCLMDBBSA-N 0 0 342.394 5.110 50 30 EKEARN O=C(/C(=C/c1ccccn1)c1nc2ccccc2s1)c1ccccc1 ZINC000004867558 527591495 /nfs/dbraw/zinc/59/14/95/527591495.db2.gz KLAVXRBVTCFKGQ-VKAVYKQESA-N 0 0 342.423 5.115 50 30 EKEARN C=CCOc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000004868516 210308417 /nfs/dbraw/zinc/30/84/17/210308417.db2.gz XXRUQOAFFDWNQD-UHFFFAOYSA-N 0 0 329.399 5.171 50 30 EKEARN C=CCOc1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000004869364 210308724 /nfs/dbraw/zinc/30/87/24/210308724.db2.gz YASXROZGXFAXQK-UHFFFAOYSA-N 0 0 329.399 5.171 50 30 EKEARN N#Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1Cl ZINC000004876883 210310554 /nfs/dbraw/zinc/31/05/54/210310554.db2.gz AODPCPYSMDFGBZ-UHFFFAOYSA-N 0 0 347.226 5.332 50 30 EKEARN O=C1/C(=C/c2cccc(Cl)c2)CS/C1=C\c1cccc(Cl)c1 ZINC000004882769 210312079 /nfs/dbraw/zinc/31/20/79/210312079.db2.gz BMDSBTRLLYMQPL-WEDCBCPPSA-N 0 0 347.266 5.734 50 30 EKEARN CCc1ccc(/C=C2\CS/C(=C\c3ccc(CC)cc3)C2=O)cc1 ZINC000004882782 563992258 /nfs/dbraw/zinc/99/22/58/563992258.db2.gz KMGRQWCPYZSTMI-NAWSQEDCSA-N 0 0 334.484 5.552 50 30 EKEARN O=C1/C(=C/c2ccc(Cl)cc2)CS/C1=C\c1ccc(Cl)cc1 ZINC000004882839 210311253 /nfs/dbraw/zinc/31/12/53/210311253.db2.gz BSSCJJQRYUKUGR-CCJRVLTRSA-N 0 0 347.266 5.734 50 30 EKEARN O=C(/C=C/c1ccc(-c2ccccc2)o1)c1cc(Cl)ccc1Cl ZINC000004891172 210313502 /nfs/dbraw/zinc/31/35/02/210313502.db2.gz WBIGMXBORNGNIL-JXMROGBWSA-N 0 0 343.209 6.150 50 30 EKEARN Cc1[nH]c2ccccc2c1/C=C/C(=O)c1ccc(Br)cc1 ZINC000004899019 210316098 /nfs/dbraw/zinc/31/60/98/210316098.db2.gz FYFBEBUIIBYCFK-ZHACJKMWSA-N 0 0 340.220 5.135 50 30 EKEARN O=C1/C(=C\c2ccco2)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000004899132 210316734 /nfs/dbraw/zinc/31/67/34/210316734.db2.gz KOFGKLPEEQNMBI-SXFBWKAHSA-N 0 0 346.411 5.088 50 30 EKEARN Cc1cccc(C)c1/N=C1\Oc2ccccc2N[C@]1(C)c1ccccn1 ZINC000004901649 563992350 /nfs/dbraw/zinc/99/23/50/563992350.db2.gz XZRRANSIAMLXES-KEPZKYLNSA-N 0 0 343.430 5.148 50 30 EKEARN Cc1cccc(C)c1/N=C1\Oc2ccccc2N[C@@]1(C)c1ccccn1 ZINC000004901654 201625208 /nfs/dbraw/zinc/62/52/08/201625208.db2.gz XZRRANSIAMLXES-JDSGXEOOSA-N 0 0 343.430 5.148 50 30 EKEARN Clc1ccc(NN=C2c3ccccc3-c3ccccc32)cc1Cl ZINC000004921516 210324124 /nfs/dbraw/zinc/32/41/24/210324124.db2.gz PNWOSWAGFNJWTL-UHFFFAOYSA-N 0 0 339.225 5.838 50 30 EKEARN N#Cc1cccc(Nc2c3cc(Cl)ccc3nc3c2CCCC3)c1 ZINC000004924053 563992545 /nfs/dbraw/zinc/99/25/45/563992545.db2.gz VTPYMOKGSNZXHP-UHFFFAOYSA-N 0 0 333.822 5.382 50 30 EKEARN N#Cc1cccc(Nc2c3ccc(Cl)cc3nc3c2CCCC3)c1 ZINC000004924529 201626794 /nfs/dbraw/zinc/62/67/94/201626794.db2.gz UFUMKUGLZFQGRX-UHFFFAOYSA-N 0 0 333.822 5.382 50 30 EKEARN CC(C)(C)C1CCC(N=Nc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000004933248 210327942 /nfs/dbraw/zinc/32/79/42/210327942.db2.gz VIZPMAQETIKTJR-UHFFFAOYSA-N 0 0 347.812 5.758 50 30 EKEARN O=[N+]([O-])c1ccc(C(N=Nc2ccccc2)N=Nc2ccccc2)cc1 ZINC000004950430 210337365 /nfs/dbraw/zinc/33/73/65/210337365.db2.gz DLARSDSEYVUIBT-FACDVXMNSA-N 0 0 345.362 5.152 50 30 EKEARN Clc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000004953504 210339648 /nfs/dbraw/zinc/33/96/48/210339648.db2.gz DNKBHUSJDBZVTC-DJKKODMXSA-N 0 0 348.258 5.563 50 30 EKEARN CC1(C)Cc2nc(-c3ccccc3)cc(-c3ccccc3)c2/C(=N/O)C1 ZINC000004955326 210339083 /nfs/dbraw/zinc/33/90/83/210339083.db2.gz XHLLTBFLUMRXKQ-NJNXFGOHSA-N 0 0 342.442 5.566 50 30 EKEARN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccco1 ZINC000004955372 563516250 /nfs/dbraw/zinc/51/62/50/563516250.db2.gz BTOBZVXXHLUXFM-QPJJXVBHSA-N 0 0 333.170 5.743 50 30 EKEARN COc1ccc(-c2ccc(/C=C/C(=O)c3cc4ccccc4o3)o2)cc1 ZINC000004956340 210339378 /nfs/dbraw/zinc/33/93/78/210339378.db2.gz CFPRIFASVUYTQM-ZRDIBKRKSA-N 0 0 344.366 5.598 50 30 EKEARN N#Cc1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c32)cc1 ZINC000004966538 210341586 /nfs/dbraw/zinc/34/15/86/210341586.db2.gz ATWSDYGCJVLFRC-UHFFFAOYSA-N 0 0 347.374 5.161 50 30 EKEARN Cc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000004973570 563516570 /nfs/dbraw/zinc/51/65/70/563516570.db2.gz KMAAFXAKUMWMJX-OAQYLSRUSA-N 0 0 332.447 5.217 50 30 EKEARN Cc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2 ZINC000004973571 210345030 /nfs/dbraw/zinc/34/50/30/210345030.db2.gz KMAAFXAKUMWMJX-NRFANRHFSA-N 0 0 332.447 5.217 50 30 EKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1O ZINC000004975291 518467439 /nfs/dbraw/zinc/46/74/39/518467439.db2.gz OPELZXOVPRCKHZ-RGVLZGJSSA-N 0 0 343.839 5.005 50 30 EKEARN CCOc1ccc2nc(Cl)c(/C=C/C(=O)c3ccccc3)cc2c1 ZINC000004981737 210347711 /nfs/dbraw/zinc/34/77/11/210347711.db2.gz QLHSZEYBRZCSAI-DHZHZOJOSA-N 0 0 337.806 5.183 50 30 EKEARN Clc1ccc(-c2csc(N=NCc3ccccc3Cl)n2)cc1 ZINC000004985246 210349839 /nfs/dbraw/zinc/34/98/39/210349839.db2.gz OZCBDHRAOWOSMS-DJKKODMXSA-N 0 0 348.258 5.563 50 30 EKEARN C=CCOc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000004985884 210349806 /nfs/dbraw/zinc/34/98/06/210349806.db2.gz ABAMEXFVSODJKT-UHFFFAOYSA-N 0 0 343.835 5.372 50 30 EKEARN O=[N+]([O-])c1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000004989804 210351037 /nfs/dbraw/zinc/35/10/37/210351037.db2.gz PUXWMNDTPDDFOH-REZTVBANSA-N 0 0 344.585 5.001 50 30 EKEARN Cc1ccc(-c2nc3ccccc3c(N=NCc3ccccc3)n2)cc1 ZINC000004989965 210350704 /nfs/dbraw/zinc/35/07/04/210350704.db2.gz FTSXGLGWAKVFMO-HZHRSRAPSA-N 0 0 338.414 5.051 50 30 EKEARN C(=NNc1ccccc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004991754 210353333 /nfs/dbraw/zinc/35/33/33/210353333.db2.gz LCDHYHOAMBPKMN-LFVJCYFKSA-N 0 0 330.475 5.600 50 30 EKEARN CN(C)c1ccc(C=[NH+][N-]c2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000004992034 563517877 /nfs/dbraw/zinc/51/78/77/563517877.db2.gz ATLSVEJAWPDLNJ-DJKKODMXSA-N 0 0 342.657 5.159 50 30 EKEARN N#Cc1nc(-c2ccccc2Cl)oc1NCc1ccccc1Cl ZINC000004994356 210352682 /nfs/dbraw/zinc/35/26/82/210352682.db2.gz SUNUZRZBMSLLPS-UHFFFAOYSA-N 0 0 344.201 5.132 50 30 EKEARN Cc1ccc2nc(N=NCc3ccccc3)nc(-c3ccccc3)c2c1 ZINC000004995931 210354728 /nfs/dbraw/zinc/35/47/28/210354728.db2.gz IVULPGNTHVXZOV-HZHRSRAPSA-N 0 0 338.414 5.051 50 30 EKEARN O/N=C(\CCCCCCC/C(=N/O)c1ccccc1)c1ccccc1 ZINC000004996316 527589920 /nfs/dbraw/zinc/58/99/20/527589920.db2.gz UBIWNCMEYOFBBM-KEEJTVGESA-N 0 0 338.451 5.474 50 30 EKEARN Cc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000004996861 526015145 /nfs/dbraw/zinc/01/51/45/526015145.db2.gz KGMRZKJOVPYEFY-ZRDIBKRKSA-N 0 0 333.343 5.059 50 30 aggregator EKEARN CCCCCCC1CCC(c2ccc(-c3ccc(C#N)cc3)nc2)CC1 ZINC000005003314 563993751 /nfs/dbraw/zinc/99/37/51/563993751.db2.gz WAXSSXFESDLULO-UHFFFAOYSA-N 0 0 346.518 6.864 50 30 EKEARN CCCCCCc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005003355 520137633 /nfs/dbraw/zinc/13/76/33/520137633.db2.gz DLNXDMDKUHYNOL-LFIBNONCSA-N 0 0 337.419 5.614 50 30 EKEARN COc1cccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000005010255 563518554 /nfs/dbraw/zinc/51/85/54/563518554.db2.gz VVNGGLPXEBQLQO-QGMBQPNBSA-N 0 0 329.614 5.101 50 30 EKEARN O=C1c2ccccc2S/C1=C\c1c2ccccc2nc2ccccc21 ZINC000005016751 563519047 /nfs/dbraw/zinc/51/90/47/563519047.db2.gz RQAXHCNCZCILSB-BKUYFWCQSA-N 0 0 339.419 5.718 50 30 EKEARN Cc1cc(NN=Cc2ccc(Cl)cc2Cl)nc2ccccc12 ZINC000005023798 210365002 /nfs/dbraw/zinc/36/50/02/210365002.db2.gz IEWDUMVHMRUKCS-KEBDBYFISA-N 0 0 330.218 5.296 50 30 EKEARN O=C(/C=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 ZINC000005024257 527653832 /nfs/dbraw/zinc/65/38/32/527653832.db2.gz DFVWAEMSSLABBF-YFHOEESVSA-N 0 0 343.209 6.150 50 30 EKEARN CC(=C\c1ccccc1)/C=C1\S/C(=N/c2cccc(C)c2C)NC1=O ZINC000005024434 210365179 /nfs/dbraw/zinc/36/51/79/210365179.db2.gz UFSNEYYOAOEWOZ-VAWAYFNOSA-N 0 0 348.471 5.141 50 30 EKEARN CC(=C\c1ccccc1)/C=C1\S/C(=N/c2ccc(C)c(C)c2)NC1=O ZINC000005024775 563993843 /nfs/dbraw/zinc/99/38/43/563993843.db2.gz GBYGLZPVJFPIGF-JKLBGJETSA-N 0 0 348.471 5.141 50 30 EKEARN CC(=CC(=O)c1ccc(C)o1)Nc1ccc(Nc2ccccc2)cc1 ZINC000005041414 518431254 /nfs/dbraw/zinc/43/12/54/518431254.db2.gz BKALQDSQQWCJPF-CCEZHUSRSA-N 0 0 332.403 5.530 50 30 EKEARN O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1 ZINC000005048771 210374450 /nfs/dbraw/zinc/37/44/50/210374450.db2.gz RTGUXEXVBZWXHI-PKNBQFBNSA-N 0 0 326.754 5.635 50 30 EKEARN C=CCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccccc1 ZINC000005050724 210376232 /nfs/dbraw/zinc/37/62/32/210376232.db2.gz PZJXCTIGKPWIAG-UHFFFAOYSA-N 0 0 347.439 5.140 50 30 EKEARN Clc1ccc(-c2csc(N=NCc3ccco3)n2)c(Cl)c1 ZINC000005054315 210377720 /nfs/dbraw/zinc/37/77/20/210377720.db2.gz XSKCOAUCRQODPF-REZTVBANSA-N 0 0 338.219 5.156 50 30 EKEARN N#Cc1c2c(sc1N=Cc1c[nH]nc1-c1ccccc1)CCCCC2 ZINC000005054396 210377155 /nfs/dbraw/zinc/37/71/55/210377155.db2.gz ZTMXSRBWXIQJRO-WSDLNYQXSA-N 0 0 346.459 5.029 50 30 EKEARN Cc1ccc([C@@]2(CC/N=C/c3ccco3)CCO[C@@H](C(C)C)C2)cc1 ZINC000005055042 210376958 /nfs/dbraw/zinc/37/69/58/210376958.db2.gz FLNVWIKRXYKORZ-ZBWFQAOJSA-N 0 0 339.479 5.170 50 30 EKEARN O=C(/C=C/c1ccc(-c2c(Cl)cccc2Cl)o1)c1cccs1 ZINC000005059518 210379149 /nfs/dbraw/zinc/37/91/49/210379149.db2.gz RCBRGYZJWVPSHK-SOFGYWHQSA-N 0 0 349.238 6.211 50 30 EKEARN CCc1ccc(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000005061068 523876841 /nfs/dbraw/zinc/87/68/41/523876841.db2.gz KDBNVSMBCFOZFF-ZRDIBKRKSA-N 0 0 347.370 5.313 50 30 EKEARN CCc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000005061180 523876811 /nfs/dbraw/zinc/87/68/11/523876811.db2.gz NWWZYMJSLWSMBV-ACCUITESSA-N 0 0 347.370 5.313 50 30 EKEARN Cc1ccc(/C=N/c2nc3c(s2)CCCCCCCCCC3)cc1 ZINC000005065801 210382333 /nfs/dbraw/zinc/38/23/33/210382333.db2.gz BKLBENSVNWHQII-CJLVFECKSA-N 0 0 340.536 6.422 50 30 EKEARN Cc1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)cc1 ZINC000005067854 210382377 /nfs/dbraw/zinc/38/23/77/210382377.db2.gz YOOXNRPFUBCZNB-JOCHJYFZSA-N 0 0 339.438 5.713 50 30 EKEARN Cc1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)cc1 ZINC000005067858 564093203 /nfs/dbraw/zinc/09/32/03/564093203.db2.gz YOOXNRPFUBCZNB-QFIPXVFZSA-N 0 0 339.438 5.713 50 30 EKEARN COc1cccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1 ZINC000005068752 525779921 /nfs/dbraw/zinc/77/99/21/525779921.db2.gz YRUQZSMVYPPMEO-NTCAYCPXSA-N 0 0 344.410 5.170 50 30 EKEARN O=C(/C=C/c1ccccc1OCc1ccccc1)c1ccc(Cl)cc1 ZINC000005068874 527636837 /nfs/dbraw/zinc/63/68/37/527636837.db2.gz YWLQQYFFDZWNCM-NTCAYCPXSA-N 0 0 348.829 5.815 50 30 EKEARN O=C1CCCC2=C1[C@@H]([C@H]1CC=CCC1)c1c(ccc3ncccc31)N2 ZINC000005069044 210383242 /nfs/dbraw/zinc/38/32/42/210383242.db2.gz CQGOXDIORDYSRO-XOBRGWDASA-N 0 0 330.431 5.107 50 30 EKEARN O=C1CCCC2=C1[C@H]([C@H]1CC=CCC1)c1c(ccc3ncccc31)N2 ZINC000005069047 564093221 /nfs/dbraw/zinc/09/32/21/564093221.db2.gz CQGOXDIORDYSRO-VBKZILBWSA-N 0 0 330.431 5.107 50 30 EKEARN O=C1CCCC2=C1[C@@H]([C@@H]1CC=CCC1)c1c(ccc3ncccc31)N2 ZINC000005069050 210383390 /nfs/dbraw/zinc/38/33/90/210383390.db2.gz CQGOXDIORDYSRO-VLIAUNLRSA-N 0 0 330.431 5.107 50 30 EKEARN Cc1ccsc1[C@@H]1c2c(ccc3ccccc32)NC2=C1C(=O)CCC2 ZINC000005069306 205749880 /nfs/dbraw/zinc/74/98/80/205749880.db2.gz XRMOWYONSKPSAX-OAQYLSRUSA-N 0 0 345.467 5.774 50 30 EKEARN Cc1ccsc1[C@H]1c2c(ccc3ccccc32)NC2=C1C(=O)CCC2 ZINC000005069308 210383105 /nfs/dbraw/zinc/38/31/05/210383105.db2.gz XRMOWYONSKPSAX-NRFANRHFSA-N 0 0 345.467 5.774 50 30 EKEARN Cc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2)cc1 ZINC000005073031 526014586 /nfs/dbraw/zinc/01/45/86/526014586.db2.gz NNUJTBWECNKXIC-FOCLMDBBSA-N 0 0 328.411 5.470 50 30 EKEARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000005073235 210384269 /nfs/dbraw/zinc/38/42/69/210384269.db2.gz IWXGPHFRFJTQNH-OVCLIPMQSA-N 0 0 332.374 5.301 50 30 EKEARN CC(=CC(=O)c1ccc(C)cc1)Nc1ccc(Br)c(C)c1 ZINC000005090772 563520811 /nfs/dbraw/zinc/52/08/11/563520811.db2.gz LOWHSODEAVURBK-SDNWHVSQSA-N 0 0 344.252 5.265 50 30 EKEARN COc1ccc(C(=O)/C=C/c2ccc3c(c2)c2ccccc2n3C)cc1 ZINC000005090827 210388011 /nfs/dbraw/zinc/38/80/11/210388011.db2.gz FQKXCRZRAOQLNF-RIYZIHGNSA-N 0 0 341.410 5.236 50 30 EKEARN C(=NNc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000005092970 210387879 /nfs/dbraw/zinc/38/78/79/210387879.db2.gz LIFAGXWKNDHBKS-HZHRSRAPSA-N 0 0 325.415 5.136 50 30 EKEARN CCOc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1OC ZINC000005102856 258051451 /nfs/dbraw/zinc/05/14/51/258051451.db2.gz OCJULMIJMQUBCL-XYOKQWHBSA-N 0 0 332.399 5.143 50 30 EKEARN O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc2ccccc2c1 ZINC000005102890 210390330 /nfs/dbraw/zinc/39/03/30/210390330.db2.gz PASUGDUIAYHSJM-JXMROGBWSA-N 0 0 337.762 5.298 50 30 EKEARN COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)cc(Cl)c1O ZINC000005112191 210391048 /nfs/dbraw/zinc/39/10/48/210391048.db2.gz BSRJDLJRSWFHBO-RMKNXTFCSA-N 0 0 338.790 5.104 50 30 EKEARN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 ZINC000005123991 210394926 /nfs/dbraw/zinc/39/49/26/210394926.db2.gz YRVXLZXCGBCIDL-ZZEZOPTASA-N 0 0 326.852 5.288 50 30 EKEARN O=C1c2ccccc2CC/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000005124086 210394855 /nfs/dbraw/zinc/39/48/55/210394855.db2.gz FVXCIWGEVPQKCT-FYWRMAATSA-N 0 0 345.354 5.067 50 30 EKEARN Cc1cc(C)c(C(=O)/C=C/c2ccc(Br)cc2)c(C)c1 ZINC000005125437 210394588 /nfs/dbraw/zinc/39/45/88/210394588.db2.gz MPWTXJOUZYFHNU-RMKNXTFCSA-N 0 0 329.237 5.270 50 30 EKEARN O=C(/C=C/c1ccc(Br)s1)c1cc2ccccc2o1 ZINC000005129532 210395863 /nfs/dbraw/zinc/39/58/63/210395863.db2.gz FDZFHCUHQNIXDU-FNORWQNLSA-N 0 0 333.206 5.153 50 30 EKEARN N#Cc1cccc(NC(=O)c2cc3c(s2)-c2ccccc2SC3)c1 ZINC000005141800 210399030 /nfs/dbraw/zinc/39/90/30/210399030.db2.gz ZOXBLPUJRAAPGZ-UHFFFAOYSA-N 0 0 348.452 5.145 50 30 EKEARN Cc1sc(NC(=O)c2ccc(Cc3ccccc3)cc2)c(C#N)c1C ZINC000005144850 563994644 /nfs/dbraw/zinc/99/46/44/563994644.db2.gz ZQYCRHUTLAZWQA-UHFFFAOYSA-N 0 0 346.455 5.080 50 30 EKEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O ZINC000005145152 201361428 /nfs/dbraw/zinc/36/14/28/201361428.db2.gz RELHOQWWZLPAFQ-NVMNQCDNSA-N 0 0 344.769 5.050 50 30 EKEARN CC(C)=CCOc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O ZINC000005150121 201361616 /nfs/dbraw/zinc/36/16/16/201361616.db2.gz OJHKHQMBKMNFTA-ODLFYWEKSA-N 0 0 340.806 5.301 50 30 EKEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)(C)C)cc1)C2=O ZINC000005162939 563996496 /nfs/dbraw/zinc/99/64/96/563996496.db2.gz LTSHSCXICDLPHW-MTJSOVHGSA-N 0 0 348.442 5.555 50 30 EKEARN CCCCOc1ccc2c(c1)C(=NO)c1cc(OCCCC)ccc1-2 ZINC000005171873 563999873 /nfs/dbraw/zinc/99/98/73/563999873.db2.gz CRBSRYMZHQAFMK-UHFFFAOYSA-N 0 0 339.435 5.251 50 30 EKEARN Cn1c2ccccc2c2cc(/C=C/C(=O)c3ccc(Cl)cc3)ccc21 ZINC000005174146 210406101 /nfs/dbraw/zinc/40/61/01/210406101.db2.gz DSMPNIZUTDJLQA-NTUHNPAUSA-N 0 0 345.829 5.881 50 30 EKEARN Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)c1 ZINC000005176003 201361694 /nfs/dbraw/zinc/36/16/94/201361694.db2.gz TVAAAWAMLBLPJR-MTJSOVHGSA-N 0 0 346.382 5.092 50 30 EKEARN Clc1ccc(-c2csc(N=NCc3ccco3)n2)c(Cl)c1 ZINC000005181837 210407387 /nfs/dbraw/zinc/40/73/87/210407387.db2.gz XSKCOAUCRQODPF-IDUWFGFVSA-N 0 0 338.219 5.156 50 30 EKEARN C/C(=N\Oc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 ZINC000005184364 564000098 /nfs/dbraw/zinc/00/00/98/564000098.db2.gz NKFZFCOBICEMJC-ODCIPOBUSA-N 0 0 349.139 5.210 50 30 EKEARN CCOc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O ZINC000005186322 564000161 /nfs/dbraw/zinc/00/01/61/564000161.db2.gz BMHQLYJCEGUNNX-SXGWCWSVSA-N 0 0 335.186 5.008 50 30 EKEARN CC(C)(C)c1cc(/C=C/C(=O)c2ccccc2)cc(C(C)(C)C)c1O ZINC000005187258 210409637 /nfs/dbraw/zinc/40/96/37/210409637.db2.gz MQLALXSEENATJA-OUKQBFOZSA-N 0 0 336.475 5.883 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@H]2c1ccco1 ZINC000005190675 563522387 /nfs/dbraw/zinc/52/23/87/563522387.db2.gz RSOVGCLHZWBTBU-SFHVURJKSA-N 0 0 342.826 5.155 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1N[C@@H]2c1ccco1 ZINC000005190807 563522392 /nfs/dbraw/zinc/52/23/92/563522392.db2.gz RSOVGCLHZWBTBU-GOSISDBHSA-N 0 0 342.826 5.155 50 30 EKEARN CC(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](C)C3)cc1 ZINC000005211442 563522924 /nfs/dbraw/zinc/52/29/24/563522924.db2.gz PXIQEZHPJJXQRS-CMJOXMDJSA-N 0 0 346.474 5.642 50 30 EKEARN CC(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](C)C3)cc1 ZINC000005211448 210413981 /nfs/dbraw/zinc/41/39/81/210413981.db2.gz PXIQEZHPJJXQRS-IQMFZBJNSA-N 0 0 346.474 5.642 50 30 EKEARN CC(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](C)C3)cc1 ZINC000005211748 563522953 /nfs/dbraw/zinc/52/29/53/563522953.db2.gz PXIQEZHPJJXQRS-WNSKOXEYSA-N 0 0 346.474 5.642 50 30 EKEARN CC(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](C)C3)cc1 ZINC000005211753 563522933 /nfs/dbraw/zinc/52/29/33/563522933.db2.gz PXIQEZHPJJXQRS-NPMXOYFQSA-N 0 0 346.474 5.642 50 30 EKEARN O=C(/C=C/c1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000005214792 564001128 /nfs/dbraw/zinc/00/11/28/564001128.db2.gz FSDNSCPTYVCIPR-IZZDOVSWSA-N 0 0 335.384 5.219 50 30 EKEARN Cc1ccc(C(=O)C/C=N/OCc2ccc(Cl)cc2Cl)cc1 ZINC000005217296 564001154 /nfs/dbraw/zinc/00/11/54/564001154.db2.gz ZBUFQGDQMPOVDN-AWQFTUOYSA-N 0 0 336.218 5.077 50 30 EKEARN Cc1ccc(C(=O)Oc2ccc(C(=O)/C=C/c3cccs3)cc2)cc1 ZINC000005217372 564001151 /nfs/dbraw/zinc/00/11/51/564001151.db2.gz HNCQAPPYHNPTOV-OUKQBFOZSA-N 0 0 348.423 5.172 50 30 EKEARN C/C(=N\OCc1ccc(Cl)cc1Cl)c1ccc(CC#N)s1 ZINC000005223226 563523222 /nfs/dbraw/zinc/52/32/22/563523222.db2.gz ROJZISSPOAVJLL-VXLYETTFSA-N 0 0 339.247 5.062 50 30 EKEARN O=C1C=C(Nc2ccc(OC(F)(F)F)cc2)C[C@@H](c2ccccc2)C1 ZINC000005224614 563523275 /nfs/dbraw/zinc/52/32/75/563523275.db2.gz DEBQXYKYKLYOKB-CQSZACIVSA-N 0 0 347.336 5.028 50 30 EKEARN O=C1C=C(Nc2cccc(C(F)(F)F)c2)C[C@@H](c2ccccc2)C1 ZINC000005224618 563523225 /nfs/dbraw/zinc/52/32/25/563523225.db2.gz NQSXKROUNCILHA-CQSZACIVSA-N 0 0 331.337 5.148 50 30 EKEARN O=C1C=C(Nc2ccc(OC(F)(F)F)cc2)C[C@H](c2ccccc2)C1 ZINC000005224668 201642976 /nfs/dbraw/zinc/64/29/76/201642976.db2.gz DEBQXYKYKLYOKB-AWEZNQCLSA-N 0 0 347.336 5.028 50 30 EKEARN O=C1C=C(Nc2cccc(C(F)(F)F)c2)C[C@H](c2ccccc2)C1 ZINC000005224670 201643121 /nfs/dbraw/zinc/64/31/21/201643121.db2.gz NQSXKROUNCILHA-AWEZNQCLSA-N 0 0 331.337 5.148 50 30 EKEARN Cc1ccc(NC(=S)N[C@@H]2CCSc3ccccc32)cc1C ZINC000005225384 564005870 /nfs/dbraw/zinc/00/58/70/564005870.db2.gz ARPHMXMCCZACNG-MRXNPFEDSA-N 0 0 328.506 5.238 50 30 EKEARN Cc1ccc(NC(=S)N[C@H]2CCSc3ccccc32)cc1C ZINC000005225387 564005869 /nfs/dbraw/zinc/00/58/69/564005869.db2.gz ARPHMXMCCZACNG-INIZCTEOSA-N 0 0 328.506 5.238 50 30 EKEARN Cc1ccc(CN=Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000005234211 257927953 /nfs/dbraw/zinc/92/79/53/257927953.db2.gz CWMXVMMSMFIANC-LPYMAVHISA-N 0 0 343.455 5.718 50 30 EKEARN CCCCCCNc1cc(CCC)c(C#N)c2nc3ccccc3n21 ZINC000005248715 564001455 /nfs/dbraw/zinc/00/14/55/564001455.db2.gz NMGXFBGYGLFMNA-UHFFFAOYSA-N 0 0 334.467 5.304 50 30 EKEARN C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCCCC ZINC000005248732 564001436 /nfs/dbraw/zinc/00/14/36/564001436.db2.gz YTTGPVZTXCQMGX-UHFFFAOYSA-N 0 0 346.478 5.388 50 30 EKEARN CCCc1c(C)c(C#N)c2nc3ccccc3n2c1NC1CCCCC1 ZINC000005248842 564001490 /nfs/dbraw/zinc/00/14/90/564001490.db2.gz JHQLPQZFPFQERX-UHFFFAOYSA-N 0 0 346.478 5.365 50 30 EKEARN Cc1ccc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)o1 ZINC000005254498 564001605 /nfs/dbraw/zinc/00/16/05/564001605.db2.gz OXOJIKOXGJXKQN-MTJSOVHGSA-N 0 0 346.382 5.092 50 30 EKEARN O=C(/C=C/c1ccc(Cl)cc1)c1ccc2[nH]c3ccccc3c2c1 ZINC000005258828 564031887 /nfs/dbraw/zinc/03/18/87/564031887.db2.gz NLAZOVZLSSIIMC-KPKJPENVSA-N 0 0 331.802 5.871 50 30 EKEARN CCCCOc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000005261204 564001781 /nfs/dbraw/zinc/00/17/81/564001781.db2.gz IWOSYECDEJZJJR-UHFFFAOYSA-N 0 0 328.415 5.466 50 30 EKEARN O=C1c2ccccc2[C@@H](c2ccccc2)/C1=C/c1cc(F)ccc1F ZINC000005279746 210432211 /nfs/dbraw/zinc/43/22/11/210432211.db2.gz YHCOALRWQXAFKV-CNSVBDKNSA-N 0 0 332.349 5.377 50 30 EKEARN O=C1c2ccccc2[C@H](c2ccccc2)/C1=C/c1cc(F)ccc1F ZINC000005279850 564002333 /nfs/dbraw/zinc/00/23/33/564002333.db2.gz YHCOALRWQXAFKV-FNGUVFISSA-N 0 0 332.349 5.377 50 30 EKEARN C=C[C@@](C)(O)CC[C@H]1C(=C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]21C ZINC000005291889 564130103 /nfs/dbraw/zinc/13/01/03/564130103.db2.gz WCNCDVQMEQJFGH-JIWOIOHBSA-N 0 0 348.527 5.044 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccco1)Nc1cc3ccccc3cc12 ZINC000005302916 205766115 /nfs/dbraw/zinc/76/61/15/205766115.db2.gz ROJDAHAPADYHSV-QFIPXVFZSA-N 0 0 343.426 5.742 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)[C@H](c1ccco1)Nc1cc3ccccc3cc12 ZINC000005302925 564005905 /nfs/dbraw/zinc/00/59/05/564005905.db2.gz ROJDAHAPADYHSV-JOCHJYFZSA-N 0 0 343.426 5.742 50 30 EKEARN O=C1C=CC(=[NH+][N-]c2cccc(Cl)c2)C=C1C=Nc1cccnc1 ZINC000005331304 564002703 /nfs/dbraw/zinc/00/27/03/564002703.db2.gz BISUYKRYJXWOQR-PEAGZHFBSA-N 0 0 336.782 5.607 50 30 EKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1-c1ccccc1 ZINC000005332091 201647517 /nfs/dbraw/zinc/64/75/17/201647517.db2.gz HSDQLZKUXLRZGE-UHFFFAOYSA-N 0 0 332.406 5.954 50 30 EKEARN CN(C)c1ccc(CC=C(N=Nc2ccccc2)c2ccccc2)cc1 ZINC000005333909 522129259 /nfs/dbraw/zinc/12/92/59/522129259.db2.gz PGXVQLMSRMMTSF-LXFXVVTESA-N 0 0 341.458 5.282 50 30 EKEARN O=C1c2ccccc2S/C1=C/c1c2ccccc2nc2ccccc21 ZINC000005338575 563527563 /nfs/dbraw/zinc/52/75/63/563527563.db2.gz RQAXHCNCZCILSB-FYJGNVAPSA-N 0 0 339.419 5.718 50 30 EKEARN Clc1ccc(-c2ccc(C=NNc3cccc4cccnc43)o2)cc1 ZINC000005344601 210443667 /nfs/dbraw/zinc/44/36/67/210443667.db2.gz VOLPMHKYRFRKJE-YDZHTSKRSA-N 0 0 347.805 5.594 50 30 EKEARN COc1ccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000005358880 524378701 /nfs/dbraw/zinc/37/87/01/524378701.db2.gz IDFFZMXMENBGAE-FOCLMDBBSA-N 0 0 329.399 5.171 50 30 EKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 ZINC000005370621 210450261 /nfs/dbraw/zinc/45/02/61/210450261.db2.gz UPVNDJQRTTXLIG-UDWIEESQSA-N 0 0 327.840 5.300 50 30 EKEARN Cc1cc(C)c(/C=N/c2ccccc2C(=O)c2ccccc2)c(C)c1 ZINC000005378740 563530478 /nfs/dbraw/zinc/53/04/78/563530478.db2.gz SAYUEUKMRDTYDN-BUVRLJJBSA-N 0 0 327.427 5.593 50 30 EKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C/CCC(C)=O ZINC000005380774 564003422 /nfs/dbraw/zinc/00/34/22/564003422.db2.gz RUJSTMILPJJENL-ZJCKWPSLSA-N 0 0 330.556 6.881 50 30 EKEARN C=CCOc1c(C(F)(F)F)nn(-c2ccccc2)c1-c1ccccc1 ZINC000005382799 564003281 /nfs/dbraw/zinc/00/32/81/564003281.db2.gz QXCNIEPFCWWXKB-UHFFFAOYSA-N 0 0 344.336 5.123 50 30 EKEARN O=C(/C=C/c1ccc(Cl)cc1)c1ccc(N2CCCCC2)cc1 ZINC000005394819 563531173 /nfs/dbraw/zinc/53/11/73/563531173.db2.gz BYPSHHNCEGHNKJ-AWNIVKPZSA-N 0 0 325.839 5.226 50 30 EKEARN O=C(/C=C/c1cccc2ccccc12)c1ccc(N2CCCCC2)cc1 ZINC000005395251 527628837 /nfs/dbraw/zinc/62/88/37/527628837.db2.gz QNYCXVRBWYQCTP-DTQAZKPQSA-N 0 0 341.454 5.726 50 30 EKEARN N#Cc1ccc(-c2ccc(OCCOc3ccccc3Cl)cc2)cc1 ZINC000005406369 564003680 /nfs/dbraw/zinc/00/36/80/564003680.db2.gz GYGLYDAILWJMSC-UHFFFAOYSA-N 0 0 349.817 5.336 50 30 EKEARN CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)cc1 ZINC000005409340 521460257 /nfs/dbraw/zinc/46/02/57/521460257.db2.gz YAVWJHZVMNKIOQ-WYMLVPIESA-N 0 0 346.382 5.019 50 30 EKEARN CC(=CN=Nc1nc2ccccc2s1)Cc1ccc(C(C)C)cc1 ZINC000005413341 563531559 /nfs/dbraw/zinc/53/15/59/563531559.db2.gz WZDJLAPCPCLJID-XLLHXKPXSA-N 0 0 335.476 5.921 50 30 EKEARN CC(C)c1ccc(/C=N/c2ccc(-c3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000005413556 210458808 /nfs/dbraw/zinc/45/88/08/210458808.db2.gz JWCJRRZQNGVKJE-HZHRSRAPSA-N 0 0 344.414 6.136 50 30 EKEARN Cc1ccc(CO/N=C/c2ccc(Sc3ccc(C)cc3)nc2)cc1 ZINC000005413921 524626681 /nfs/dbraw/zinc/62/66/81/524626681.db2.gz RBSDYRFPTJOGSC-OEAKJJBVSA-N 0 0 348.471 5.400 50 30 EKEARN Clc1cc(Cl)c(NN=Cc2ccccc2Cl)c(Cl)c1 ZINC000005417303 563531980 /nfs/dbraw/zinc/53/19/80/563531980.db2.gz JPLWDDKXZWMJQW-CNHKJKLMSA-N 0 0 334.033 5.746 50 30 EKEARN CCCCCC(=NOC(=O)Nc1ccccc1)c1cc(C)ccc1O ZINC000005417788 519916219 /nfs/dbraw/zinc/91/62/19/519916219.db2.gz MKQNSTGKLDXAMG-RELWKKBWSA-N 0 0 340.423 5.234 50 30 EKEARN CCCOC(=O)c1ccc(/N=C/c2cccc(Cl)c2Cl)cc1 ZINC000005431159 563532388 /nfs/dbraw/zinc/53/23/88/563532388.db2.gz UEOXOGYQNCKOBM-RGVLZGJSSA-N 0 0 336.218 5.311 50 30 EKEARN CCCc1ccc(O)c(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000005432167 521401480 /nfs/dbraw/zinc/40/14/80/521401480.db2.gz JCNNQUDYEAMTPG-LPYMAVHISA-N 0 0 339.822 6.009 50 30 EKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NC1CCCCCCC1 ZINC000005444476 564004084 /nfs/dbraw/zinc/00/40/84/564004084.db2.gz KPYAYOGIFRVQPX-UHFFFAOYSA-N 0 0 329.322 5.126 50 30 EKEARN FC(F)Oc1ccccc1/C=N/CCC12CC3CC(CC(C3)C1)C2 ZINC000005445222 564005985 /nfs/dbraw/zinc/00/59/85/564005985.db2.gz XEJMNJSJCJDMDJ-YDZHTSKRSA-N 0 0 333.422 5.313 50 30 EKEARN CCCC1CCC(N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000005445295 210465653 /nfs/dbraw/zinc/46/56/53/210465653.db2.gz XQRDQMNBZTUFJY-UHFFFAOYSA-N 0 0 343.349 5.372 50 30 EKEARN c1ccc(C2CCC(=NN=C3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000005446410 564004085 /nfs/dbraw/zinc/00/40/85/564004085.db2.gz QBGVIZAMKUGZNR-UHFFFAOYSA-N 0 0 344.502 6.499 50 30 EKEARN Cc1cc(SCCc2ccccc2)n2c3ccccc3nc2c1C#N ZINC000005454714 564004196 /nfs/dbraw/zinc/00/41/96/564004196.db2.gz ZKOYEGXSZMBNGY-UHFFFAOYSA-N 0 0 343.455 5.002 50 30 EKEARN CCCc1cc(Nc2ccc(C)cc2)n2c3ccccc3nc2c1C#N ZINC000005454816 564004237 /nfs/dbraw/zinc/00/42/37/564004237.db2.gz VNUPRCJFKIVYES-UHFFFAOYSA-N 0 0 340.430 5.364 50 30 EKEARN CCOc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2s1 ZINC000005466714 563533605 /nfs/dbraw/zinc/53/36/05/563533605.db2.gz RQVKQNTZDMLAGF-FYJGNVAPSA-N 0 0 347.443 5.294 50 30 EKEARN CCc1ccc2c(c1)/C(=N\c1ccc3c(c1)oc1ccccc13)C(=O)N2 ZINC000005471520 563534004 /nfs/dbraw/zinc/53/40/04/563534004.db2.gz ZGHJEFICWMSZMZ-UHFFFAOYSA-N 0 0 340.382 5.221 50 30 EKEARN CCc1ccc2oc(-c3cccc(/N=C/c4ccccc4O)c3)nc2c1 ZINC000005477396 563534318 /nfs/dbraw/zinc/53/43/18/563534318.db2.gz QDKDFGTYIYPXRO-OEAKJJBVSA-N 0 0 342.398 5.513 50 30 EKEARN CC(=NN=c1[nH]c2ccccc2s1)c1ccc2c3c(cccc31)CC2 ZINC000005480204 563534241 /nfs/dbraw/zinc/53/42/41/563534241.db2.gz SXCWHWSQJLXODS-YDZHTSKRSA-N 0 0 343.455 5.384 50 30 EKEARN C=CCN(C(C)=O)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000005480881 564004631 /nfs/dbraw/zinc/00/46/31/564004631.db2.gz UTLXKDFEFJLNQM-UHFFFAOYSA-N 0 0 340.492 5.397 50 30 EKEARN C=C1C[C@@H](OC(=O)c2ccc(Cl)cc2)C(C)(C)CC2=C(C)CC[C@H]21 ZINC000005482550 564004619 /nfs/dbraw/zinc/00/46/19/564004619.db2.gz LIEDCQPGOXPJSJ-PKOBYXMFSA-N 0 0 344.882 5.968 50 30 EKEARN C=C1C[C@@H](OC(=O)c2ccc(Cl)cc2)C(C)(C)CC2=C(C)CC[C@@H]21 ZINC000005482551 564004622 /nfs/dbraw/zinc/00/46/22/564004622.db2.gz LIEDCQPGOXPJSJ-IEBWSBKVSA-N 0 0 344.882 5.968 50 30 EKEARN C=C1C[C@H](OC(=O)c2ccc(Cl)cc2)C(C)(C)CC2=C(C)CC[C@H]21 ZINC000005482552 210473472 /nfs/dbraw/zinc/47/34/72/210473472.db2.gz LIEDCQPGOXPJSJ-HKUYNNGSSA-N 0 0 344.882 5.968 50 30 EKEARN C=C1C[C@H](OC(=O)c2ccc(Cl)cc2)C(C)(C)CC2=C(C)CC[C@@H]21 ZINC000005482553 564004615 /nfs/dbraw/zinc/00/46/15/564004615.db2.gz LIEDCQPGOXPJSJ-MJGOQNOKSA-N 0 0 344.882 5.968 50 30 EKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)c(O)c1-c1ccccc1 ZINC000005490759 564077389 /nfs/dbraw/zinc/07/73/89/564077389.db2.gz GARXUMFGCOPWSH-UHFFFAOYSA-N 0 0 347.417 6.265 50 30 EKEARN O=C1c2cccc3cccc(c23)/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000005491047 564004708 /nfs/dbraw/zinc/00/47/08/564004708.db2.gz UAJIQGFXSYNTFB-XQNSMLJCSA-N 0 0 332.402 6.244 50 30 EKEARN C/C(=N\NC(=S)Nc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000005494699 563534951 /nfs/dbraw/zinc/53/49/51/563534951.db2.gz PCMZJOWELXDYSV-XQNSMLJCSA-N 0 0 345.471 5.064 50 30 EKEARN C/C(=N\c1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl ZINC000005494758 563535026 /nfs/dbraw/zinc/53/50/26/563535026.db2.gz ADESCFXAANFLCI-ZVBGSRNCSA-N 0 0 332.152 6.153 50 30 EKEARN CC(C)(C)C1CCC(N=Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000005495978 564004712 /nfs/dbraw/zinc/00/47/12/564004712.db2.gz MRKMCZUPZRYTSM-UHFFFAOYSA-N 0 0 347.717 6.651 50 30 EKEARN CSc1nc(Nc2cc(C)cc(C)c2)c(C#N)c(-c2ccccc2)n1 ZINC000005509603 564004823 /nfs/dbraw/zinc/00/48/23/564004823.db2.gz AERMPXARXACZTR-UHFFFAOYSA-N 0 0 346.459 5.098 50 30 EKEARN Clc1ccc(-c2csc(N=NC3CCCC3)n2)cc1Cl ZINC000005511904 210479402 /nfs/dbraw/zinc/47/94/02/210479402.db2.gz MFCKJBFBXMJGLU-UHFFFAOYSA-N 0 0 326.252 5.459 50 30 EKEARN COc1ccccc1/C=N\c1ccccc1/N=C\c1ccccc1OC ZINC000005514990 524325769 /nfs/dbraw/zinc/32/57/69/524325769.db2.gz BCOAYYXZJUIOQY-MPKYGIEOSA-N 0 0 344.414 5.205 50 30 EKEARN N#Cc1cc(N=Nc2ccccc2)ccc1OCC(=O)c1ccccc1 ZINC000005515487 564004912 /nfs/dbraw/zinc/00/49/12/564004912.db2.gz GXKJTXPIDGQAPK-WCWDXBQESA-N 0 0 341.370 5.235 50 30 EKEARN Cc1cc(Nc2ccc(C#N)cc2)c2ccc(C(F)(F)F)cc2n1 ZINC000005520796 564005039 /nfs/dbraw/zinc/00/50/39/564005039.db2.gz MTIZAVWZBQDRCS-UHFFFAOYSA-N 0 0 327.309 5.177 50 30 EKEARN CC(C)c1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1 ZINC000005522973 564005027 /nfs/dbraw/zinc/00/50/27/564005027.db2.gz JWYOFGIKNRRFNG-UHFFFAOYSA-N 0 0 347.443 5.057 50 30 EKEARN CO/N=C(/CSCc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000005526062 522736753 /nfs/dbraw/zinc/73/67/53/522736753.db2.gz QBLJFMMRNJLOOO-MNDPQUGUSA-N 0 0 340.275 5.277 50 30 EKEARN CO/N=C(/CSc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000005526064 564005003 /nfs/dbraw/zinc/00/50/03/564005003.db2.gz PMXOGNLLYJVTHJ-SDXDJHTJSA-N 0 0 326.248 5.136 50 30 EKEARN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(C(C)C)cc3)S2)cc1 ZINC000005531837 205775634 /nfs/dbraw/zinc/77/56/34/205775634.db2.gz GEQXLXDIQXGOSB-PDGQHHTCSA-N 0 0 336.460 5.010 50 30 EKEARN Cc1cccc(/N=C2\NC(=O)/C(=C/c3cccc4ccccc34)S2)c1 ZINC000005533035 564005129 /nfs/dbraw/zinc/00/51/29/564005129.db2.gz JMWLMCKLDSPPQO-UYRXBGFRSA-N 0 0 344.439 5.040 50 30 EKEARN Cc1ccc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000005543164 210485234 /nfs/dbraw/zinc/48/52/34/210485234.db2.gz LGEZGFFYOAHLCP-DHZHZOJOSA-N 0 0 333.343 5.059 50 30 EKEARN Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000005543177 526014517 /nfs/dbraw/zinc/01/45/17/526014517.db2.gz DBZGHSLUMNSMLI-PKNBQFBNSA-N 0 0 336.818 6.113 50 30 EKEARN Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1 ZINC000005543179 526015242 /nfs/dbraw/zinc/01/52/42/526015242.db2.gz GGBSHCCMGTUTDY-DHZHZOJOSA-N 0 0 347.370 5.368 50 30 EKEARN Cc1ccc(CN=Nc2nc(-c3cccc4ccccc43)cs2)cc1 ZINC000005548540 525964836 /nfs/dbraw/zinc/96/48/36/525964836.db2.gz RIVQSXDBJPVMFR-LPYMAVHISA-N 0 0 343.455 5.718 50 30 EKEARN C=C(C)CSc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn21 ZINC000005556587 564005401 /nfs/dbraw/zinc/00/54/01/564005401.db2.gz QTILNQCIPGPDOH-UHFFFAOYSA-N 0 0 343.883 5.335 50 30 EKEARN C=CCSc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn21 ZINC000005557037 564005416 /nfs/dbraw/zinc/00/54/16/564005416.db2.gz GEOZCCZADNKGOG-UHFFFAOYSA-N 0 0 337.492 5.280 50 30 EKEARN C=CCN(CC=C)c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000005560471 564005356 /nfs/dbraw/zinc/00/53/56/564005356.db2.gz NBZZHIJPXOXSMR-UHFFFAOYSA-N 0 0 341.867 5.190 50 30 EKEARN Cc1ccc2nc(-c3ccc(NC4=CC(=O)CCC4)cc3)sc2c1 ZINC000005571152 564005738 /nfs/dbraw/zinc/00/57/38/564005738.db2.gz UVQIUNSFDBDYGO-UHFFFAOYSA-N 0 0 334.444 5.321 50 30 EKEARN O=C(/C(=C/c1ccncc1)c1ccc2ccccc2n1)c1ccccc1 ZINC000005572002 210491791 /nfs/dbraw/zinc/49/17/91/210491791.db2.gz XRNGPCIQCFFDAB-CAPFRKAQSA-N 0 0 336.394 5.053 50 30 EKEARN O=C(/C(=C/c1ccco1)c1nc2ccccc2s1)c1ccccc1 ZINC000005578567 201656098 /nfs/dbraw/zinc/65/60/98/201656098.db2.gz BSYOEVZUHHRLRD-SSZFMOIBSA-N 0 0 331.396 5.313 50 30 EKEARN O=C(/C(=C/c1cccs1)c1nc2ccccc2s1)c1ccccc1 ZINC000005578569 527591505 /nfs/dbraw/zinc/59/15/05/527591505.db2.gz WFUMVGQWMDJKHZ-SSZFMOIBSA-N 0 0 347.464 5.781 50 30 EKEARN O=C(/C(=C/c1ccccc1)c1nc2ccccc2s1)c1ccccc1 ZINC000005578574 210494763 /nfs/dbraw/zinc/49/47/63/210494763.db2.gz FXZGIAFCYKFCDE-SDXDJHTJSA-N 0 0 341.435 5.720 50 30 EKEARN O=C(C=CNc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000005589092 210496569 /nfs/dbraw/zinc/49/65/69/210496569.db2.gz PVEUNPJUYVWEFX-MDZDMXLPSA-N 0 0 325.717 5.167 50 30 EKEARN CCCCOc1ccc(C(=O)O/N=C(\C)c2ccc(C)c(C)c2)cc1 ZINC000005597175 520872114 /nfs/dbraw/zinc/87/21/14/520872114.db2.gz ANRCBMVRCHVRNE-OQKWZONESA-N 0 0 339.435 5.063 50 30 EKEARN CCCCc1ccc(/N=C/c2cc(Br)ccc2O)cc1 ZINC000005597372 563541835 /nfs/dbraw/zinc/54/18/35/563541835.db2.gz UPCKHINKYVHUJM-XDHOZWIPSA-N 0 0 332.241 5.248 50 30 EKEARN Cc1coc(C)c1C(=O)/C=C/c1cc2ccc(C)cc2nc1Cl ZINC000005603676 210498814 /nfs/dbraw/zinc/49/88/14/210498814.db2.gz NSKKBNUHFIIUMA-VOTSOKGWSA-N 0 0 325.795 5.303 50 30 EKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1 ZINC000005612527 564006427 /nfs/dbraw/zinc/00/64/27/564006427.db2.gz ITWOPFOSIWSCID-ZDLGFXPLSA-N 0 0 333.869 5.361 50 30 EKEARN CC(C)(C)C1CCC(=NOC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000005613632 564006421 /nfs/dbraw/zinc/00/64/21/564006421.db2.gz DWGMHPSYKDRVCZ-UHFFFAOYSA-N 0 0 342.266 5.743 50 30 EKEARN CN(C)/C=C/C(=O)/C=C/c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000005613794 564006435 /nfs/dbraw/zinc/00/64/35/564006435.db2.gz OSDAYWNBUJFOFZ-JDHQLRNLSA-N 0 0 349.474 5.434 50 30 EKEARN CCCC1C/C(=C\c2cccc(C)c2)C(=O)/C(=C\c2cccc(C)c2)C1 ZINC000005614680 564006105 /nfs/dbraw/zinc/00/61/05/564006105.db2.gz YRYBYZCFBUHJJQ-JVBWRSBESA-N 0 0 344.498 6.550 50 30 EKEARN Cc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(CCC#N)c21 ZINC000005615536 564006423 /nfs/dbraw/zinc/00/64/23/564006423.db2.gz IAIYWUPQUPTHMC-UHFFFAOYSA-N 0 0 336.438 6.197 50 30 EKEARN C=CCn1c2ccccc2nc1SCc1ncc(-c2ccccc2)o1 ZINC000005619048 519268686 /nfs/dbraw/zinc/26/86/86/519268686.db2.gz WNVHTUMHPLUHLI-UHFFFAOYSA-N 0 0 347.443 5.170 50 30 EKEARN Cc1ccccc1NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000005620282 564006513 /nfs/dbraw/zinc/00/65/13/564006513.db2.gz JXKOAHKHNXBGST-SRZZPIQSSA-N 0 0 345.229 6.008 50 30 EKEARN N#Cc1c(=S)[nH]c(-c2ccccc2)c(C#N)c1-c1ccccc1Cl ZINC000005647846 210508833 /nfs/dbraw/zinc/50/88/33/210508833.db2.gz SVMILBGAWITQCM-UHFFFAOYSA-N 0 0 347.830 5.475 50 30 EKEARN Clc1ccc(/C=N/CCCC/N=C\c2ccc(Cl)cc2)cc1 ZINC000005671888 526938216 /nfs/dbraw/zinc/93/82/16/526938216.db2.gz CWGFYCFZQFABTB-VOKWCDJLSA-N 0 0 333.262 5.312 50 30 EKEARN C[C@H](/N=C(\c1ccccc1)C(F)(F)F)c1cccc2ccccc21 ZINC000005671949 563544833 /nfs/dbraw/zinc/54/48/33/563544833.db2.gz SHMRNPQGQUEYRX-FEWXFKJYSA-N 0 0 327.349 5.952 50 30 EKEARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1ccc(Cl)s1 ZINC000005677900 210515038 /nfs/dbraw/zinc/51/50/38/210515038.db2.gz HAISEIOOXKWIME-CMDGGOBGSA-N 0 0 342.851 5.100 50 30 EKEARN O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2)s1)c1ccccc1 ZINC000005681115 527604525 /nfs/dbraw/zinc/60/45/25/527604525.db2.gz VIQHSHAWEBVVRY-WXUKJITCSA-N 0 0 344.435 5.540 50 30 EKEARN CC(Nc1ccccc1)=C1C(=O)C=C(c2ccco2)C[C@H]1c1ccco1 ZINC000005685553 564018596 /nfs/dbraw/zinc/01/85/96/564018596.db2.gz QELOBNYLDIRBTB-FSTGKYBXSA-N 0 0 345.398 6.048 50 30 EKEARN CC(Nc1ccccc1)=C1C(=O)C=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000005685554 564018616 /nfs/dbraw/zinc/01/86/16/564018616.db2.gz QELOBNYLDIRBTB-MMTNMYCKSA-N 0 0 345.398 6.048 50 30 EKEARN O=C(N=C(Nc1ccccc1)Nc1ccccc1)c1ccccc1Cl ZINC000005689668 527448586 /nfs/dbraw/zinc/44/85/86/527448586.db2.gz DQVHYMTZLZNVOU-UHFFFAOYSA-N 0 0 349.821 5.060 50 30 EKEARN C=C(Cl)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 ZINC000005704356 518653222 /nfs/dbraw/zinc/65/32/22/518653222.db2.gz ZZHFMJZXSSBIKS-UHFFFAOYSA-N 0 0 325.890 5.250 50 30 EKEARN C=CCSc1ccc(SCC(=O)Nc2c(C)cccc2C)s1 ZINC000005711383 519078539 /nfs/dbraw/zinc/07/85/39/519078539.db2.gz LVFKIDQDSZYZOT-UHFFFAOYSA-N 0 0 349.546 5.374 50 30 EKEARN CCCCC1COC(c2ccc(-c3ccc(C#N)cc3)s2)OC1 ZINC000005711605 564020877 /nfs/dbraw/zinc/02/08/77/564020877.db2.gz VOTYPPXTQJAXEZ-UHFFFAOYSA-N 0 0 327.449 5.139 50 30 EKEARN CCCCCOc1ccc(C#CC#Cc2ccc(OCC)cc2)cc1 ZINC000005712285 564020851 /nfs/dbraw/zinc/02/08/51/564020851.db2.gz DGMFAMMFLPTHIE-UHFFFAOYSA-N 0 0 332.443 5.058 50 30 EKEARN CC(C)COc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000005727162 564024070 /nfs/dbraw/zinc/02/40/70/564024070.db2.gz NZAKSQJDQPVAGC-UHFFFAOYSA-N 0 0 328.415 5.322 50 30 EKEARN Clc1ccc(-c2csc(N=NCc3ccccc3)n2)cc1Cl ZINC000005734679 563548150 /nfs/dbraw/zinc/54/81/50/563548150.db2.gz LEXRAEXNWSCQKN-DJKKODMXSA-N 0 0 348.258 5.563 50 30 EKEARN O/N=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000005738543 564024731 /nfs/dbraw/zinc/02/47/31/564024731.db2.gz DCPSYTJQIQIBDJ-HZHRSRAPSA-N 0 0 339.398 5.014 50 30 EKEARN O=C(/C=C/c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 ZINC000005739870 210528726 /nfs/dbraw/zinc/52/87/26/210528726.db2.gz KIXIGEDPGLNJAJ-PKNBQFBNSA-N 0 0 327.210 6.043 50 30 EKEARN Cc1cccc(C(=O)C=CNc2ccccc2C(=O)c2ccccc2)c1 ZINC000005740536 205776417 /nfs/dbraw/zinc/77/64/17/205776417.db2.gz RNYFBFQHKQWLEL-CCEZHUSRSA-N 0 0 341.410 5.035 50 30 EKEARN c1ccc(N=C(Nc2nc3ccccc3s2)Nc2ccccc2)cc1 ZINC000005741052 564024955 /nfs/dbraw/zinc/02/49/55/564024955.db2.gz DVHMMMKJEYDBQO-UHFFFAOYSA-N 0 0 344.443 5.508 50 30 EKEARN Fc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000005750214 563549168 /nfs/dbraw/zinc/54/91/68/563549168.db2.gz BUKMJIKFMNFLHC-DJKKODMXSA-N 0 0 331.803 5.049 50 30 EKEARN COc1ccc(C=Nc2ccccc2NC2=CC(=O)CC(C)(C)C2)cc1 ZINC000005764720 563549396 /nfs/dbraw/zinc/54/93/96/563549396.db2.gz ZUKQUTBTLYENAM-HZHRSRAPSA-N 0 0 348.446 5.131 50 30 EKEARN O=C(N=C(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000005772567 563549722 /nfs/dbraw/zinc/54/97/22/563549722.db2.gz JTQPXGHUZBRRTR-UHFFFAOYSA-N 0 0 343.470 5.267 50 30 EKEARN C=C1C[C@@H](OC(=O)Nc2ccccc2)C(C)(C)CC2=C(C)CC[C@H]21 ZINC000005791602 564070611 /nfs/dbraw/zinc/07/06/11/564070611.db2.gz DDIANFAJRRTYHK-PKOBYXMFSA-N 0 0 325.452 5.706 50 30 EKEARN C=C1C[C@@H](OC(=O)Nc2ccccc2)C(C)(C)CC2=C(C)CC[C@@H]21 ZINC000005791603 564070636 /nfs/dbraw/zinc/07/06/36/564070636.db2.gz DDIANFAJRRTYHK-IEBWSBKVSA-N 0 0 325.452 5.706 50 30 EKEARN C=C1C[C@H](OC(=O)Nc2ccccc2)C(C)(C)CC2=C(C)CC[C@H]21 ZINC000005791605 210537573 /nfs/dbraw/zinc/53/75/73/210537573.db2.gz DDIANFAJRRTYHK-HKUYNNGSSA-N 0 0 325.452 5.706 50 30 EKEARN C=C1C[C@H](OC(=O)Nc2ccccc2)C(C)(C)CC2=C(C)CC[C@@H]21 ZINC000005791606 564070620 /nfs/dbraw/zinc/07/06/20/564070620.db2.gz DDIANFAJRRTYHK-MJGOQNOKSA-N 0 0 325.452 5.706 50 30 EKEARN C/C(C/C(C)=N/c1c(C)cc(C)cc1C)=N\c1c(C)cc(C)cc1C ZINC000005796952 210539441 /nfs/dbraw/zinc/53/94/41/210539441.db2.gz BQPOGAGYMSGBNZ-CTWPWMDCSA-N 0 0 334.507 6.812 50 30 EKEARN CCN(/N=C/c1ccc2c(c1)c1ccccc1n2CC)c1ccccc1 ZINC000005797425 519897123 /nfs/dbraw/zinc/89/71/23/519897123.db2.gz IPCPWEQNRXADBE-JJIBRWJFSA-N 0 0 341.458 5.675 50 30 EKEARN Cc1ccc(NC(Nc2ccc(C)cc2)=[NH+]c2ccccc2[O-])cc1 ZINC000005798812 564052239 /nfs/dbraw/zinc/05/22/39/564052239.db2.gz QYXDFNCBYQGCLF-UHFFFAOYSA-N 0 0 331.419 5.221 50 30 EKEARN Cc1cccc(C)c1NC1=NC(=S)N(c2ccccc2)C12CCCC2 ZINC000005804288 210540205 /nfs/dbraw/zinc/54/02/05/210540205.db2.gz OVKYYYPUEMJVPE-UHFFFAOYSA-N 0 0 349.503 5.041 50 30 EKEARN C=C1C(=O)c2ccccc2C(=O)C1C=CCC1=C(C)CCCC1(C)C ZINC000005824330 564056522 /nfs/dbraw/zinc/05/65/22/564056522.db2.gz DIAHBPBITDQZNB-GHXNOFRVSA-N 0 0 334.459 5.855 50 30 EKEARN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1 ZINC000005824482 564056533 /nfs/dbraw/zinc/05/65/33/564056533.db2.gz SRHKGEZDUNWYSJ-BKUYFWCQSA-N 0 0 344.366 5.118 50 30 EKEARN CC(C)=CCOc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O ZINC000005824840 201362185 /nfs/dbraw/zinc/36/21/85/201362185.db2.gz UHLHSUGIPNYEPF-CRVGVPJFSA-N 0 0 332.399 5.204 50 30 EKEARN CCCCCCOc1ccc(Br)cc1/C=C\C(C)=O ZINC000005826024 563551803 /nfs/dbraw/zinc/55/18/03/563551803.db2.gz SUMRCILWOQTWLK-FPLPWBNLSA-N 0 0 325.246 5.010 50 30 EKEARN C=CCCCCCCCCc1nc(SC/C=C(\C)Cl)n[nH]1 ZINC000005828243 564070673 /nfs/dbraw/zinc/07/06/73/564070673.db2.gz RKJFXCRHEBNJTP-WYMLVPIESA-N 0 0 327.925 5.499 50 30 EKEARN C=CCCCCCCCCc1nnc(SCc2ccccc2)[nH]1 ZINC000005830628 518700188 /nfs/dbraw/zinc/70/01/88/518700188.db2.gz RBKNSIMVIVZFAH-UHFFFAOYSA-N 0 0 329.513 5.556 50 30 EKEARN CC1CCC(=NN2C(=O)c3ccccc3NC23CCC(C)CC3)CC1 ZINC000005867929 564056714 /nfs/dbraw/zinc/05/67/14/564056714.db2.gz UHGNTNPIANCEIO-UHFFFAOYSA-N 0 0 339.483 5.027 50 30 EKEARN O=C(C=CNc1cc(Cl)ccc1O)c1ccc(Cl)c(Cl)c1 ZINC000005889699 201666689 /nfs/dbraw/zinc/66/66/89/201666689.db2.gz GKKBGPXONHFYCS-WAYWQWQTSA-N 0 0 342.609 5.161 50 30 EKEARN O=C(/C=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccccc1 ZINC000005899520 527653541 /nfs/dbraw/zinc/65/35/41/527653541.db2.gz RHTQNMZZPACPJI-VURMDHGXSA-N 0 0 343.209 6.150 50 30 EKEARN CCOc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O ZINC000005900656 210556180 /nfs/dbraw/zinc/55/61/80/210556180.db2.gz QVXACPBXLYIXGS-HMAPJEAMSA-N 0 0 342.394 5.369 50 30 EKEARN O=[N+]([O-])c1cccc(-c2ccc(/C=N/c3cccc4ccccc43)o2)c1 ZINC000005904682 563553560 /nfs/dbraw/zinc/55/35/60/563553560.db2.gz RKTQDQBCAVNXAM-HYARGMPZSA-N 0 0 342.354 5.759 50 30 EKEARN COc1ccc2c(c1)C(=O)/C(=C\c1ccc(Cl)cc1Cl)CC2 ZINC000005908876 564056937 /nfs/dbraw/zinc/05/69/37/564056937.db2.gz VLTCRRWZBODPMY-JYRVWZFOSA-N 0 0 333.214 5.215 50 30 EKEARN C(=NNc1nc2ccccc2[nH]1)c1c2ccccc2cc2ccccc21 ZINC000005909088 563553962 /nfs/dbraw/zinc/55/39/62/563553962.db2.gz IWJXYYQXQHZLFL-OEAKJJBVSA-N 0 0 336.398 5.315 50 30 EKEARN COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000005916373 523399107 /nfs/dbraw/zinc/39/91/07/523399107.db2.gz UTIBSRWRTRNAAD-FYWRMAATSA-N 0 0 344.410 5.267 50 30 EKEARN C[C@@H]1CCc2sc(NC(=O)c3cccc4ccccc43)c(C#N)c2C1 ZINC000005919962 564057007 /nfs/dbraw/zinc/05/70/07/564057007.db2.gz TVYMBOMENTWZLU-CYBMUJFWSA-N 0 0 346.455 5.150 50 30 EKEARN C[C@H]1CCc2sc(NC(=O)c3cccc4ccccc43)c(C#N)c2C1 ZINC000005920806 205784936 /nfs/dbraw/zinc/78/49/36/205784936.db2.gz TVYMBOMENTWZLU-ZDUSSCGKSA-N 0 0 346.455 5.150 50 30 EKEARN Cc1ccc(C(C)N=Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000005928038 210560325 /nfs/dbraw/zinc/56/03/25/210560325.db2.gz BRQRLDYQGDYLQC-VXLYETTFSA-N 0 0 327.642 5.791 50 30 EKEARN Cc1c2ccc3ccccc3c2oc1C(=O)Nc1sccc1C#N ZINC000005937030 564057103 /nfs/dbraw/zinc/05/71/03/564057103.db2.gz FAPCVAZIKCEKOI-UHFFFAOYSA-N 0 0 332.384 5.080 50 30 EKEARN Cc1ccc2c(Cl)cc(Cl)c(OCc3ccc(C#N)cc3)c2n1 ZINC000005939310 564057122 /nfs/dbraw/zinc/05/71/22/564057122.db2.gz BSGXPIJUJYHWQU-UHFFFAOYSA-N 0 0 343.213 5.301 50 30 EKEARN C=CCSc1nc2ccsc2c(Sc2ccc(C)cc2)n1 ZINC000005942447 210564088 /nfs/dbraw/zinc/56/40/88/210564088.db2.gz CDZWKIRLTPPHPY-UHFFFAOYSA-N 0 0 330.503 5.429 50 30 EKEARN Cc1ccc([C@H]2CC(=O)C=C(Nc3cc(Cl)cc(Cl)c3)C2)cc1 ZINC000005942457 563554674 /nfs/dbraw/zinc/55/46/74/563554674.db2.gz FSJPHKSMVDIBEH-CQSZACIVSA-N 0 0 346.257 5.744 50 30 EKEARN Cc1ccc([C@@H]2CC(=O)C=C(Nc3cc(Cl)cc(Cl)c3)C2)cc1 ZINC000005942475 563554687 /nfs/dbraw/zinc/55/46/87/563554687.db2.gz FSJPHKSMVDIBEH-AWEZNQCLSA-N 0 0 346.257 5.744 50 30 EKEARN N#Cc1ccc(OP(=O)(Nc2ccccc2)Nc2ccccc2)cc1 ZINC000005947422 564057267 /nfs/dbraw/zinc/05/72/67/564057267.db2.gz UEJUZDABEALCCO-UHFFFAOYSA-N 0 0 349.330 5.269 50 30 EKEARN CCOc1ccc2ccccc2c1/C=N/c1cc(Cl)ccc1Cl ZINC000005953767 564130112 /nfs/dbraw/zinc/13/01/12/564130112.db2.gz AWWQZUUWEVKZHF-WSDLNYQXSA-N 0 0 344.241 6.296 50 30 EKEARN O=C(Nc1ccc(/N=C/c2cccs2)cc1)c1ccccc1Cl ZINC000005998251 563556739 /nfs/dbraw/zinc/55/67/39/563556739.db2.gz KISHJZFFUWAKOZ-UDWIEESQSA-N 0 0 340.835 5.404 50 30 EKEARN Cc1ccc(C(=Nc2ccccc2)Nc2nc3ccccc3s2)cc1 ZINC000006009036 210577097 /nfs/dbraw/zinc/57/70/97/210577097.db2.gz KNFPZMHXUWFWSX-UHFFFAOYSA-N 0 0 343.455 5.795 50 30 EKEARN CCOc1ccc(NC2=CC(=O)C[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000006026631 563557576 /nfs/dbraw/zinc/55/75/76/563557576.db2.gz FLBQALSQYVUAHO-HNNXBMFYSA-N 0 0 341.838 5.181 50 30 EKEARN CCOc1ccc(NC2=CC(=O)C[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000006026632 563557641 /nfs/dbraw/zinc/55/76/41/563557641.db2.gz FLBQALSQYVUAHO-OAHLLOKOSA-N 0 0 341.838 5.181 50 30 EKEARN CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000006031567 564111829 /nfs/dbraw/zinc/11/18/29/564111829.db2.gz KMGUZSMFRZSYPE-KATBZLDRSA-N 0 0 342.523 5.216 50 30 EKEARN N#Cc1ccc(COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000006044999 564072541 /nfs/dbraw/zinc/07/25/41/564072541.db2.gz HHRSAYYUQICABJ-UHFFFAOYSA-N 0 0 343.470 5.605 50 30 EKEARN N#Cc1c(C(F)(F)F)cc(C2CC2)nc1SCc1ccccc1 ZINC000006045558 201672279 /nfs/dbraw/zinc/67/22/79/201672279.db2.gz ADNQXZYLSFBFBW-UHFFFAOYSA-N 0 0 334.366 5.142 50 30 EKEARN Cc1ccc(C(=O)/C=C/c2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000006047865 564006290 /nfs/dbraw/zinc/00/62/90/564006290.db2.gz NNFQQLRLRQSGKD-BQYQJAHWSA-N 0 0 336.174 5.106 50 30 EKEARN O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc(OC(F)F)cc1 ZINC000006047869 257898855 /nfs/dbraw/zinc/89/88/55/257898855.db2.gz UEKZHTUNRZLKET-RMKNXTFCSA-N 0 0 343.156 5.491 50 30 EKEARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)-c1ccccc1C2 ZINC000006048003 205797774 /nfs/dbraw/zinc/79/77/74/205797774.db2.gz APORDFYOPGMDGC-DHZHZOJOSA-N 0 0 341.366 5.062 50 30 EKEARN Cc1ccc(C(=O)/C=C/c2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000006048016 564006307 /nfs/dbraw/zinc/00/63/07/564006307.db2.gz PUDXXWQTIDAHNF-BQYQJAHWSA-N 0 0 336.174 5.106 50 30 EKEARN O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc2c(c1)-c1ccccc1C2 ZINC000006048018 564006300 /nfs/dbraw/zinc/00/63/00/564006300.db2.gz BQTXHPARSNIFFQ-VAWYXSNFSA-N 0 0 341.366 5.062 50 30 EKEARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccccc1OC(F)F ZINC000006048171 564006310 /nfs/dbraw/zinc/00/63/10/564006310.db2.gz OZVWYFYTHWYPCV-SOFGYWHQSA-N 0 0 343.156 5.491 50 30 EKEARN O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc(OC(F)F)cc1 ZINC000006048230 564006317 /nfs/dbraw/zinc/00/63/17/564006317.db2.gz ZBEZMFCTDQREEX-RUDMXATFSA-N 0 0 342.263 5.203 50 30 EKEARN O=C(/C=C/c1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl ZINC000006048379 564033117 /nfs/dbraw/zinc/03/31/17/564033117.db2.gz XMZHTNRNPVKDBZ-QPJJXVBHSA-N 0 0 345.147 5.908 50 30 EKEARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C2CCCCC2)cc1 ZINC000006048967 210581410 /nfs/dbraw/zinc/58/14/10/210581410.db2.gz RWIAUIGMIZEYBY-OVCLIPMQSA-N 0 0 335.403 5.539 50 30 EKEARN O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccccc1OC(F)F ZINC000006049135 564006312 /nfs/dbraw/zinc/00/63/12/564006312.db2.gz KVBYQYOIGYHPBL-SOFGYWHQSA-N 0 0 343.156 5.491 50 30 EKEARN COc1ccc(/C=C2\CCCCC(=C(SC)SC)C2=O)cc1 ZINC000006051860 210580739 /nfs/dbraw/zinc/58/07/39/210580739.db2.gz UUIKMRNFDDUKCW-WYMLVPIESA-N 0 0 334.506 5.159 50 30 EKEARN CSC(SC)=C1CCCC/C(=C/c2ccc(Cl)cc2)C1=O ZINC000006051862 564073042 /nfs/dbraw/zinc/07/30/42/564073042.db2.gz ZCPFZKBOWMUFAX-QBFSEMIESA-N 0 0 338.925 5.804 50 30 EKEARN CCCOC(=O)Nc1ccccc1[NH+]=C1CCCC1=Cc1ccccc1 ZINC000006052258 564073060 /nfs/dbraw/zinc/07/30/60/564073060.db2.gz TWVWNSUCYZBHSW-AJVCOWBVSA-N 0 0 348.446 5.985 50 30 EKEARN Cc1ccccc1N=C1NC(=Nc2ccccc2C)c2ccccc21 ZINC000006079606 563558705 /nfs/dbraw/zinc/55/87/05/563558705.db2.gz GLRLYVKHSBPQTR-UHFFFAOYSA-N 0 0 325.415 5.254 50 30 EKEARN Cc1ccc(-c2csc(/C=C/c3ccccc3OCC#N)n2)cc1 ZINC000006087430 258051755 /nfs/dbraw/zinc/05/17/55/258051755.db2.gz JEKRTELINOVTLW-ZHACJKMWSA-N 0 0 332.428 5.191 50 30 EKEARN N#Cc1cccc(/C=C/c2ccc(/C=C/c3ccccc3C#N)cc2)c1 ZINC000006095120 210588313 /nfs/dbraw/zinc/58/83/13/210588313.db2.gz JRVKAPLKKVWGKU-SQIWNDBBSA-N 0 0 332.406 5.771 50 30 EKEARN Cc1cc(C)c(N=NC(N=Nc2ccccc2)c2ccccc2)c(C)c1 ZINC000006188600 563560625 /nfs/dbraw/zinc/56/06/25/563560625.db2.gz XZYJUXFCEGWRRA-XZJQYRMUSA-N 0 0 342.446 6.169 50 30 EKEARN Clc1cnc(N=NC2CCCCCCCCCCC2)c(Cl)c1 ZINC000006224210 201676406 /nfs/dbraw/zinc/67/64/06/201676406.db2.gz QPARMBBJRJABOJ-UHFFFAOYSA-N 0 0 342.314 6.461 50 30 EKEARN CCc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000006225208 201676486 /nfs/dbraw/zinc/67/64/86/201676486.db2.gz MOMPVYUBUXUIOH-UHFFFAOYSA-N 0 0 327.383 5.007 50 30 EKEARN FC(F)Oc1ccccc1/C=N/n1c2ccccc2c2ccccc21 ZINC000006226852 563561761 /nfs/dbraw/zinc/56/17/61/563561761.db2.gz MXJZFVXPNXYTBP-YDZHTSKRSA-N 0 0 336.341 5.278 50 30 EKEARN O=C(/C(=C\c1ccccc1)c1nc2ccccc2s1)c1ccccc1 ZINC000006227349 201676519 /nfs/dbraw/zinc/67/65/19/201676519.db2.gz FXZGIAFCYKFCDE-OBGWFSINSA-N 0 0 341.435 5.720 50 30 EKEARN N#Cc1cc([N+](=O)[O-])ccc1Nc1ccc(Oc2ccccc2)cc1 ZINC000006250475 564083189 /nfs/dbraw/zinc/08/31/89/564083189.db2.gz UUUDRVZQOIBAER-UHFFFAOYSA-N 0 0 331.331 5.002 50 30 EKEARN CC(=Cc1ccccc1)C=C1SC(=Nc2ccc(O)cc2)NC1=O ZINC000006261730 564083363 /nfs/dbraw/zinc/08/33/63/564083363.db2.gz XQKVPVVOIZKNPR-YMGXUNRSSA-N 0 0 336.416 5.070 50 30 EKEARN C=CCCCCCCCCC(=O)Oc1ccc2oc(=O)cc(C)c2c1 ZINC000006280340 564083512 /nfs/dbraw/zinc/08/35/12/564083512.db2.gz PNPHORKSUKRNLQ-UHFFFAOYSA-N 0 0 342.435 5.314 50 30 EKEARN S=C(NN=C1CCCCCCCCCCC1)NC1CCCCC1 ZINC000006312790 210615973 /nfs/dbraw/zinc/61/59/73/210615973.db2.gz NRGYUWQUYBAVFM-UHFFFAOYSA-N 0 0 337.577 5.444 50 30 EKEARN C=CCN(CC=C)C(=O)c1cc(-c2ccccc2C)nc2ccccc21 ZINC000006319188 210617914 /nfs/dbraw/zinc/61/79/14/210617914.db2.gz FGRHLICMTSZINQ-UHFFFAOYSA-N 0 0 342.442 5.024 50 30 EKEARN Cc1cc(N=NC2CCC(c3ccccc3)CC2)nc2ccccc12 ZINC000006330587 564085166 /nfs/dbraw/zinc/08/51/66/564085166.db2.gz FHEYAUJCGUXIHN-UHFFFAOYSA-N 0 0 329.447 5.669 50 30 EKEARN COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000006338324 564085217 /nfs/dbraw/zinc/08/52/17/564085217.db2.gz KBXSWFNNDZUAPP-XNTDXEJSSA-N 0 0 344.410 5.267 50 30 EKEARN O=C(/C=C/c1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000006339763 564085105 /nfs/dbraw/zinc/08/51/05/564085105.db2.gz JLCNNUYXZWOJIW-ZZXKWVIFSA-N 0 0 327.630 5.060 50 30 EKEARN CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000006340091 564085108 /nfs/dbraw/zinc/08/51/08/564085108.db2.gz SOGUCNWXZRLUPH-CXUHLZMHSA-N 0 0 347.458 5.589 50 30 EKEARN COc1cc(CC#N)c(OCC[C@@H](C)CCCC(C)C)cc1CC#N ZINC000006357855 210622359 /nfs/dbraw/zinc/62/23/59/210622359.db2.gz QRSBGAFJARYUJE-KRWDZBQOSA-N 0 0 342.483 5.059 50 30 EKEARN CCOc1ccc(-c2cc(-c3ccc(C)cc3)nc(OC)c2C#N)cc1 ZINC000006393645 564085493 /nfs/dbraw/zinc/08/54/93/564085493.db2.gz JWVFJSDVRYDJAL-UHFFFAOYSA-N 0 0 344.414 5.003 50 30 EKEARN CC(C)[C@]1(C)CC[C@@H](C)/C(=C\c2cccc(Cl)c2Cl)C1=O ZINC000006415517 564085617 /nfs/dbraw/zinc/08/56/17/564085617.db2.gz GGHFMFVEFSJANJ-AMASQTPZSA-N 0 0 325.279 6.038 50 30 EKEARN O=C1/C(=C/c2ccc(F)cc2)c2ccccc2/C1=C\c1ccc(F)cc1 ZINC000006455470 526940616 /nfs/dbraw/zinc/94/06/16/526940616.db2.gz KYXLZZSYWPELOU-JFMUQQRKSA-N 0 0 344.360 5.629 50 30 EKEARN CCCCCC1CCC(c2ccc(C(=O)OCCC#N)cc2)CC1 ZINC000006471860 564089455 /nfs/dbraw/zinc/08/94/55/564089455.db2.gz BNMRRCLOZYFYGG-UHFFFAOYSA-N 0 0 327.468 5.611 50 30 EKEARN S=C(NCc1ccccc1)NN=C1CCCCCCCCCCC1 ZINC000006475139 564089499 /nfs/dbraw/zinc/08/94/99/564089499.db2.gz MXOXIRHURAKQJG-UHFFFAOYSA-N 0 0 345.556 5.311 50 30 EKEARN Cc1ccc(-c2csc(C(C#N)=NNc3ccc(C)cc3C)n2)cc1 ZINC000006477768 210637600 /nfs/dbraw/zinc/63/76/00/210637600.db2.gz RKLUAILYXBUIDZ-MOHJPFBDSA-N 0 0 346.459 5.075 50 30 EKEARN CCn1ncc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c1C ZINC000006490057 523688392 /nfs/dbraw/zinc/68/83/92/523688392.db2.gz SDXXPNRREFSANR-CSKARUKUSA-N 0 0 340.810 5.021 50 30 EKEARN CCn1cc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c(C)n1 ZINC000006490238 523313957 /nfs/dbraw/zinc/31/39/57/523313957.db2.gz QNGYHTXWUPBZEC-CSKARUKUSA-N 0 0 340.810 5.021 50 30 EKEARN CC(=CC(=O)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000006492603 518431991 /nfs/dbraw/zinc/43/19/91/518431991.db2.gz LDZKRBFETSJMEK-WUKNDPDISA-N 0 0 329.399 5.678 50 30 EKEARN O=C1c2c(ccc3ccccc23)S/C1=C/c1ccccc1[N+](=O)[O-] ZINC000006496526 564090841 /nfs/dbraw/zinc/09/08/41/564090841.db2.gz LFRZIRQRGALBEI-GZTJUZNOSA-N 0 0 333.368 5.078 50 30 EKEARN CCC(=O)c1cc(Cl)cc(Cl)c1OCc1ccc(C#N)cc1 ZINC000006509670 564091205 /nfs/dbraw/zinc/09/12/05/564091205.db2.gz DYNLTMBFZCSWSG-UHFFFAOYSA-N 0 0 334.202 5.037 50 30 EKEARN N#Cc1ccccc1CSc1nc2ccccc2n1-c1ccccc1 ZINC000006509785 201683709 /nfs/dbraw/zinc/68/37/09/201683709.db2.gz CAPWLWHFNBUTEL-UHFFFAOYSA-N 0 0 341.439 5.189 50 30 EKEARN N#CC(C#N)[C@@H](CC(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000006528814 564117400 /nfs/dbraw/zinc/11/74/00/564117400.db2.gz ZRXHJFAPJYKPSF-OAHLLOKOSA-N 0 0 343.213 5.013 50 30 EKEARN Cc1ccc2c(Cl)cc(Cl)c(OCc3ccccc3C#N)c2n1 ZINC000006549431 564091879 /nfs/dbraw/zinc/09/18/79/564091879.db2.gz OEHASUXDRZLQON-UHFFFAOYSA-N 0 0 343.213 5.301 50 30 EKEARN O=C1c2ccccc2CC/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000006566305 564079308 /nfs/dbraw/zinc/07/93/08/564079308.db2.gz NPHCHRKNCBGLCF-LTGZKZEYSA-N 0 0 340.422 5.478 50 30 EKEARN COc1ccc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc1O ZINC000006582613 523399388 /nfs/dbraw/zinc/39/93/88/523399388.db2.gz FDXUZGHOUPSGBG-NTUHNPAUSA-N 0 0 336.431 5.345 50 30 EKEARN N#Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000006584007 210658645 /nfs/dbraw/zinc/65/86/45/210658645.db2.gz PGRMDJCVTJNRQM-UHFFFAOYSA-N 0 0 340.597 5.162 50 30 EKEARN Clc1ccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000006584390 563573997 /nfs/dbraw/zinc/57/39/97/563573997.db2.gz BRNUEXOVZCGXCA-LPYMAVHISA-N 0 0 348.858 6.367 50 30 EKEARN O=C(/C(=C\c1ccccc1)c1nc2ccccc2o1)c1ccccc1 ZINC000006594009 564092537 /nfs/dbraw/zinc/09/25/37/564092537.db2.gz GEWOTBHVOVAWPD-OBGWFSINSA-N 0 0 325.367 5.251 50 30 EKEARN N#Cc1ccc(Oc2ncnc3cc(-c4ccc(F)cc4)sc32)cc1 ZINC000006610474 564094473 /nfs/dbraw/zinc/09/44/73/564094473.db2.gz RYSJQQXLQQRSEI-UHFFFAOYSA-N 0 0 347.374 5.161 50 30 EKEARN C(=N/c1ccc(Nc2ccccc2)cc1)\c1ccc(-c2ccccc2)cc1 ZINC000006616219 564094529 /nfs/dbraw/zinc/09/45/29/564094529.db2.gz FCVPPKWZEGCTJJ-LGUFXXKBSA-N 0 0 348.449 6.848 50 30 EKEARN Cc1ccc(-c2nc(S[C@H](C)C#N)[nH]c2-c2ccc(C)cc2)cc1 ZINC000006622078 564094570 /nfs/dbraw/zinc/09/45/70/564094570.db2.gz UUMQDZYHDXXNJZ-OAHLLOKOSA-N 0 0 333.460 5.365 50 30 EKEARN COc1ccc(/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1 ZINC000006646138 564095043 /nfs/dbraw/zinc/09/50/43/564095043.db2.gz JZZMOMMWXXLMTJ-UDWIEESQSA-N 0 0 349.415 5.066 50 30 EKEARN COc1ccc2c(c1)CC/C(=C/c1ccc(Cl)c(Cl)c1)C2=O ZINC000006646641 563575925 /nfs/dbraw/zinc/57/59/25/563575925.db2.gz HSGZWEQLSBNSAG-JYRVWZFOSA-N 0 0 333.214 5.215 50 30 EKEARN CCOc1cc(/C=C/C(=O)c2cc3ccccc3o2)cc(Cl)c1O ZINC000006646956 564095054 /nfs/dbraw/zinc/09/50/54/564095054.db2.gz IPTGDUZGGKGYFH-BQYQJAHWSA-N 0 0 342.778 5.087 50 30 EKEARN N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000006648817 564095292 /nfs/dbraw/zinc/09/52/92/564095292.db2.gz JTOJDLDHTLXISW-UHFFFAOYSA-N 0 0 348.789 5.256 50 30 EKEARN C=CCN(C(=O)c1ccc2ccccc2c1)c1nc2c(s1)CCCC2 ZINC000006649722 564095177 /nfs/dbraw/zinc/09/51/77/564095177.db2.gz SXYIIAKTEPINPV-UHFFFAOYSA-N 0 0 348.471 5.008 50 30 EKEARN Cc1nc(SCc2ccc(C#N)cc2)n(C2CCCCC2)c1C ZINC000006657531 564095520 /nfs/dbraw/zinc/09/55/20/564095520.db2.gz LHSSIGSACSTCSQ-UHFFFAOYSA-N 0 0 325.481 5.169 50 30 EKEARN CC1(C)Cc2c(cc(-c3ccccc3)n2C2CCCCC2)/C(=N/O)C1 ZINC000006663698 564095590 /nfs/dbraw/zinc/09/55/90/564095590.db2.gz KHWJQFMKVPBHKA-FCDQGJHFSA-N 0 0 336.479 5.811 50 30 EKEARN COc1ccc(Oc2ccc(NC=C3CCC[C@@H](C)C3=O)cc2)cc1 ZINC000006714033 210689009 /nfs/dbraw/zinc/68/90/09/210689009.db2.gz DVXSXSKPCVQFOC-VZHUHSAUSA-N 0 0 337.419 5.172 50 30 EKEARN COc1cccc(Oc2ccc(NC=C3CCC[C@@H](C)C3=O)cc2)c1 ZINC000006714035 564096335 /nfs/dbraw/zinc/09/63/35/564096335.db2.gz IJQMSUIBAFRXKE-VZHUHSAUSA-N 0 0 337.419 5.172 50 30 EKEARN COc1ccccc1Oc1ccc(NC=C2CCC[C@@H](C)C2=O)cc1 ZINC000006714039 210688846 /nfs/dbraw/zinc/68/88/46/210688846.db2.gz XTIMZFFERFLWSW-VZHUHSAUSA-N 0 0 337.419 5.172 50 30 EKEARN N#Cc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1SC2 ZINC000006752014 564097213 /nfs/dbraw/zinc/09/72/13/564097213.db2.gz MFFHRAIHADMIIT-UHFFFAOYSA-N 0 0 348.452 5.145 50 30 EKEARN Cc1cccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCCCC2)c1 ZINC000006768500 564097434 /nfs/dbraw/zinc/09/74/34/564097434.db2.gz HVUIJCQCKQMNIA-UHFFFAOYSA-N 0 0 347.466 5.034 50 30 EKEARN Cc1ccc(C)c(NC2=C(c3ccccc3)C(=O)c3ccccc32)c1 ZINC000006793664 563586789 /nfs/dbraw/zinc/58/67/89/563586789.db2.gz MVHFJGVOJKCTIP-UHFFFAOYSA-N 0 0 325.411 5.480 50 30 EKEARN Cc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc1C ZINC000006793680 563586737 /nfs/dbraw/zinc/58/67/37/563586737.db2.gz PWRWTTPBEOTYNG-UHFFFAOYSA-N 0 0 325.411 5.480 50 30 EKEARN Cc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)c(C)c1 ZINC000006793788 564098062 /nfs/dbraw/zinc/09/80/62/564098062.db2.gz PDWJCYZOZWSQME-UHFFFAOYSA-N 0 0 325.411 5.480 50 30 EKEARN COc1ccc(C)cc1NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC000006794079 210714367 /nfs/dbraw/zinc/71/43/67/210714367.db2.gz WULDBSQHAAYOQZ-UHFFFAOYSA-N 0 0 341.410 5.180 50 30 EKEARN O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccc(Cl)cc1Cl ZINC000006828956 210725100 /nfs/dbraw/zinc/72/51/00/210725100.db2.gz AOQIRKXRNMRFGP-FPYGCLRLSA-N 0 0 343.156 5.491 50 30 EKEARN O=C(NC1CCCCC1)c1ccsc1/N=C/c1ccc(Cl)cc1 ZINC000006828969 564098956 /nfs/dbraw/zinc/09/89/56/564098956.db2.gz SOEDQXOJVDLJNY-UDWIEESQSA-N 0 0 346.883 5.215 50 30 EKEARN O=C(/C=C/c1ccccc1OC(F)F)c1ccc(Cl)cc1Cl ZINC000006829278 527636507 /nfs/dbraw/zinc/63/65/07/527636507.db2.gz WEXBRRHRYDNDSO-VMPITWQZSA-N 0 0 343.156 5.491 50 30 EKEARN COc1ccccc1C=C1SC(=Nc2ccccc2Cl)NC1=O ZINC000006848981 201702060 /nfs/dbraw/zinc/70/20/60/201702060.db2.gz KFHPWPVHEFLMIH-GDNBJRDFSA-N 0 0 344.823 5.081 50 30 EKEARN O=C(c1ccc(Cl)s1)[C@@H]1O[C@@H]1c1ccc(Cl)cc1Cl ZINC000006861806 564100056 /nfs/dbraw/zinc/10/00/56/564100056.db2.gz CGTUJJRYSORRQM-OLZOCXBDSA-N 0 0 333.623 5.031 50 30 EKEARN O=C(c1ccc(Cl)s1)[C@H]1O[C@@H]1c1ccc(Cl)cc1Cl ZINC000006861807 564100055 /nfs/dbraw/zinc/10/00/55/564100055.db2.gz CGTUJJRYSORRQM-CHWSQXEVSA-N 0 0 333.623 5.031 50 30 EKEARN O=C(c1ccc(Cl)s1)[C@@H]1O[C@H]1c1ccc(Cl)cc1Cl ZINC000006861809 564100016 /nfs/dbraw/zinc/10/00/16/564100016.db2.gz CGTUJJRYSORRQM-STQMWFEESA-N 0 0 333.623 5.031 50 30 EKEARN O=C(c1ccc(Cl)s1)[C@H]1O[C@H]1c1ccc(Cl)cc1Cl ZINC000006861810 564100034 /nfs/dbraw/zinc/10/00/34/564100034.db2.gz CGTUJJRYSORRQM-QWHCGFSZSA-N 0 0 333.623 5.031 50 30 EKEARN O=C(/C=C/c1ccccc1OC(=O)C1CCC1)c1cc2ccccc2o1 ZINC000006886014 527635155 /nfs/dbraw/zinc/63/51/55/527635155.db2.gz YULPXGUBVJSXLX-OUKQBFOZSA-N 0 0 346.382 5.034 50 30 EKEARN COc1ccc(-c2ccc(C#N)c(SCc3ccccc3C)n2)cc1 ZINC000006898403 564100974 /nfs/dbraw/zinc/10/09/74/564100974.db2.gz BDMYFPAXHDBMPE-UHFFFAOYSA-N 0 0 346.455 5.230 50 30 EKEARN CCCCCCCCCCCCCCCCCCCCCCO ZINC000006920384 210744969 /nfs/dbraw/zinc/74/49/69/210744969.db2.gz NOPFSRXAKWQILS-UHFFFAOYSA-N 0 0 326.609 7.801 50 30 fda EKEARN CCCCCCCCCCCCCCCCCCOC[C@H](O)CO ZINC000006920397 564087241 /nfs/dbraw/zinc/08/72/41/564087241.db2.gz OGBUMNBNEWYMNJ-OAQYLSRUSA-N 0 0 344.580 5.618 50 30 in-man EKEARN CCCCCCCC/C=C/CCCCCCCCCCCC(N)=O ZINC000006920408 564066385 /nfs/dbraw/zinc/06/63/85/564066385.db2.gz UAUDZVJPLUQNMU-MDZDMXLPSA-N 0 0 337.592 7.070 50 30 EKEARN CCCCCCCCCCCCCCCCCCCCCCCC ZINC000006920417 563591641 /nfs/dbraw/zinc/59/16/41/563591641.db2.gz POOSGDOYLQNASK-UHFFFAOYSA-N 0 0 338.664 9.608 50 30 endogenous,in-man EKEARN CCCCCCCCCCCCCCCCCC(=O)c1ccccc1 ZINC000006920443 519993159 /nfs/dbraw/zinc/99/31/59/519993159.db2.gz DBLXXVQTWJFJFI-UHFFFAOYSA-N 0 0 344.583 8.131 50 30 EKEARN Cc1nc2c(c(-c3cccc4ccccc43)c1C#N)C(=O)c1ccccc1-2 ZINC000006920978 564133770 /nfs/dbraw/zinc/13/37/70/564133770.db2.gz HZXXURHQUNGKTE-UHFFFAOYSA-N 0 0 346.389 5.293 50 30 EKEARN O=C1NC(=Nc2cccc(Cl)c2Cl)SC1=Cc1ccco1 ZINC000006925653 201706979 /nfs/dbraw/zinc/70/69/79/201706979.db2.gz BHQRPHQIVPXTCQ-YRNVUSSQSA-N 0 0 339.203 5.318 50 30 EKEARN O=C1NC(=Nc2ccc(Cl)cc2)SC1=Cc1cccc(F)c1 ZINC000006926037 201706045 /nfs/dbraw/zinc/70/60/45/201706045.db2.gz YKNRDFREVJUMQN-ZROIWOOFSA-N 0 0 332.787 5.211 50 30 EKEARN O=C1c2[nH]c3ccccc3c2CC/C1=C/c1ccccc1C(F)(F)F ZINC000006926822 210745225 /nfs/dbraw/zinc/74/52/25/210745225.db2.gz ODWSLKJDDARPHO-QBFSEMIESA-N 0 0 341.332 5.399 50 30 EKEARN O=C1c2[nH]c3ccccc3c2CC/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000006941669 563592020 /nfs/dbraw/zinc/59/20/20/563592020.db2.gz SZTKXEYPKPTESW-FMIVXFBMSA-N 0 0 342.225 5.687 50 30 EKEARN CSc1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 ZINC000006948838 210749451 /nfs/dbraw/zinc/74/94/51/210749451.db2.gz JIIBFLPIODWPEU-JXMROGBWSA-N 0 0 333.250 5.067 50 30 EKEARN COc1ccc(/N=C/C=C/c2ccc(Cl)cc2Cl)cc1Cl ZINC000006995685 563593102 /nfs/dbraw/zinc/59/31/02/563593102.db2.gz QDBJCHQOEXCLBR-JUZSNXDQSA-N 0 0 340.637 6.071 50 30 EKEARN CCCOc1ccc(/C=N/c2ccc3c(c2)C(=O)c2ccccc2-3)cc1 ZINC000006995764 563593165 /nfs/dbraw/zinc/59/31/65/563593165.db2.gz ZTGZUISOHQHTHS-BUVRLJJBSA-N 0 0 341.410 5.437 50 30 EKEARN CCCCCC#CC#CCOc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000006996780 564102763 /nfs/dbraw/zinc/10/27/63/564102763.db2.gz PQCCGKGADTVRHS-UHFFFAOYSA-N 0 0 327.427 5.191 50 30 EKEARN O=C(/C=C/c1ccc(Cl)cc1)c1ccc(/N=C/c2ccccc2)cc1 ZINC000006999022 563593436 /nfs/dbraw/zinc/59/34/36/563593436.db2.gz OVMPFSNUAOZFLY-SQTMOLFMSA-N 0 0 345.829 5.987 50 30 EKEARN C[C@H](/N=C\c1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000007037059 563593790 /nfs/dbraw/zinc/59/37/90/563593790.db2.gz IRTLACODQRXYTJ-FDDMDDHYSA-N 0 0 336.306 6.017 50 30 EKEARN O=C(/C=C/c1cccnc1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000007039497 208574431 /nfs/dbraw/zinc/57/44/31/208574431.db2.gz VQNWBJKUMLJKES-FPYGCLRLSA-N 0 0 325.820 5.360 50 30 EKEARN C=CCN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O ZINC000007044118 564070827 /nfs/dbraw/zinc/07/08/27/564070827.db2.gz DAPZTLKETHWTFP-CPNJWEJPSA-N 0 0 345.423 5.215 50 30 EKEARN C=CCSC1=Nc2ccccc2C1(c1ccccc1)c1ccccc1 ZINC000007044838 564103609 /nfs/dbraw/zinc/10/36/09/564103609.db2.gz BAZOBQWZXPPPQW-UHFFFAOYSA-N 0 0 341.479 5.984 50 30 EKEARN O=C(c1ccccc1)c1ccc(C#Cc2cc3ccccc3s2)cc1 ZINC000007078310 564104775 /nfs/dbraw/zinc/10/47/75/564104775.db2.gz YJGMKCAETNIQDR-UHFFFAOYSA-N 0 0 338.431 5.532 50 30 EKEARN O=C(/C=C/c1cccc(F)c1)c1ccc(Cl)c(Cl)c1Cl ZINC000007141239 210762440 /nfs/dbraw/zinc/76/24/40/210762440.db2.gz GYQUQIRMIFZSSC-QPJJXVBHSA-N 0 0 329.585 5.682 50 30 EKEARN Cc1ccc(-c2csc3ncnc(SCCCC#N)c23)cc1 ZINC000007234088 210771196 /nfs/dbraw/zinc/77/11/96/210771196.db2.gz BSPACTABTNPLTK-UHFFFAOYSA-N 0 0 325.462 5.063 50 30 EKEARN CCc1cccc(NC(=O)c2ccccc2-c2ccccc2C#N)c1 ZINC000007278351 564106180 /nfs/dbraw/zinc/10/61/80/564106180.db2.gz YIHSSUJCLJBRLX-UHFFFAOYSA-N 0 0 326.399 5.040 50 30 EKEARN Cc1ccccc1-c1nc(-c2cn(CCC#N)c3ccccc23)cs1 ZINC000007278967 564106463 /nfs/dbraw/zinc/10/64/63/564106463.db2.gz NOTVXBQEPDPOHS-UHFFFAOYSA-N 0 0 343.455 5.654 50 30 EKEARN N#CCCn1cc(-c2csc(-c3ccc(O)cc3)n2)c2ccccc21 ZINC000007321512 210784412 /nfs/dbraw/zinc/78/44/12/210784412.db2.gz AYTSPPSLTYFJAB-UHFFFAOYSA-N 0 0 345.427 5.051 50 30 EKEARN C=CCSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000007654621 258018344 /nfs/dbraw/zinc/01/83/44/258018344.db2.gz UNNXVINSSXSOIA-UHFFFAOYSA-N 0 0 341.461 5.352 50 30 EKEARN Cc1ccc(Sc2ccc(Sc3ccc(C)cc3)c(C#N)c2)cc1 ZINC000007714366 210836047 /nfs/dbraw/zinc/83/60/47/210836047.db2.gz IXJWHBOLMZFAEQ-UHFFFAOYSA-N 0 0 347.508 6.478 50 30 EKEARN O=C(/C=C/c1cccc(Oc2ccc(Cl)cc2)c1)c1ccccc1 ZINC000007714906 210837639 /nfs/dbraw/zinc/83/76/39/210837639.db2.gz SANQMGJQDWWTDE-NTEUORMPSA-N 0 0 334.802 6.028 50 30 EKEARN COc1ccc2c(c1)nc(SCCCC#N)cc2-c1ccccc1 ZINC000007738036 210841759 /nfs/dbraw/zinc/84/17/59/210841759.db2.gz JKBDNCBPIPQDIP-UHFFFAOYSA-N 0 0 334.444 5.306 50 30 EKEARN O=C(/C=C/c1cccc(Br)c1)c1cc2ccccc2o1 ZINC000007779486 210845656 /nfs/dbraw/zinc/84/56/56/210845656.db2.gz SLEZQOBINNLLSL-CMDGGOBGSA-N 0 0 327.177 5.091 50 30 EKEARN Cc1ccc(C(=O)/C=C/c2cccc(/C=C/C(=O)c3ccc(C)o3)c2)o1 ZINC000007779807 262519766 /nfs/dbraw/zinc/51/97/66/262519766.db2.gz RKOWHYKJCVTAPZ-GFULKKFKSA-N 0 0 346.382 5.282 50 30 EKEARN N#CCCn1cc(-c2csc(NC3CCCC3)n2)c2ccccc21 ZINC000007843300 210854779 /nfs/dbraw/zinc/85/47/79/210854779.db2.gz PFQAAXINAXYTNA-UHFFFAOYSA-N 0 0 336.464 5.033 50 30 EKEARN N#CCCn1cc(-c2csc(-c3cccs3)n2)c2ccccc21 ZINC000007844738 210855111 /nfs/dbraw/zinc/85/51/11/210855111.db2.gz RQGBEAKYLUKVEE-UHFFFAOYSA-N 0 0 335.457 5.407 50 30 EKEARN O=C(/C(=C/c1ccccc1)c1nc2ccccc2[nH]1)c1cccs1 ZINC000007985533 210875274 /nfs/dbraw/zinc/87/52/74/210875274.db2.gz KKOKJOPSPLDIHI-SQFISAMPSA-N 0 0 330.412 5.048 50 30 EKEARN CSc1nc(Nc2ccc(C)c(C)c2)c(C#N)c(-c2ccccc2)n1 ZINC000007995227 210879930 /nfs/dbraw/zinc/87/99/30/210879930.db2.gz WOCBSEMMOOQYRP-UHFFFAOYSA-N 0 0 346.459 5.098 50 30 EKEARN CCc1ccc(Nc2nc(SC)nc(-c3ccccc3)c2C#N)cc1 ZINC000007995229 564162023 /nfs/dbraw/zinc/16/20/23/564162023.db2.gz QFNAJSAIAOCKRM-UHFFFAOYSA-N 0 0 346.459 5.043 50 30 EKEARN CCCCCCCC/C=C\CCCCCCCC(=O)NCCO ZINC000008034993 563619684 /nfs/dbraw/zinc/61/96/84/563619684.db2.gz BOWVQLFMWHZBEF-KTKRTIGZSA-N 0 0 325.537 5.132 50 30 endogenous,in-man EKEARN Cc1ccc(-c2csc3ncnc(Oc4ccc(C#N)cc4)c23)cc1 ZINC000008080693 564162627 /nfs/dbraw/zinc/16/26/27/564162627.db2.gz KSPWFGJUYJBEDB-UHFFFAOYSA-N 0 0 343.411 5.331 50 30 EKEARN N#CCCn1cc(-c2csc(-c3ccsc3)n2)c2ccccc21 ZINC000008102726 564162678 /nfs/dbraw/zinc/16/26/78/564162678.db2.gz GMIASCJWZMOLNG-UHFFFAOYSA-N 0 0 335.457 5.407 50 30 EKEARN Cc1ccc(-c2csc3ncnc(Oc4ccccc4C#N)c23)cc1 ZINC000008177774 564163306 /nfs/dbraw/zinc/16/33/06/564163306.db2.gz FIZQOJIUSLBWTF-UHFFFAOYSA-N 0 0 343.411 5.331 50 30 EKEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](C)O ZINC000008214447 210912396 /nfs/dbraw/zinc/91/23/96/210912396.db2.gz FKOKUHFZNIUSLW-HXUWFJFHSA-N 0 0 342.564 6.172 50 30 endogenous,in-man EKEARN CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO ZINC000008214965 210914664 /nfs/dbraw/zinc/91/46/64/210914664.db2.gz OGBUMNBNEWYMNJ-NRFANRHFSA-N 0 0 344.580 5.618 50 30 endogenous,in-man EKEARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C\c1cccc(F)c1 ZINC000008312667 210931873 /nfs/dbraw/zinc/93/18/73/210931873.db2.gz XFKAWZFXULGSBV-DJAVKIJBSA-N 0 0 330.358 5.226 50 30 EKEARN C=CCn1c(C)cc(C(=O)c2oc3c(ccc4ccccc34)c2C)c1C ZINC000008315875 564035315 /nfs/dbraw/zinc/03/53/15/564035315.db2.gz HYUOWIHRYNEVIC-UHFFFAOYSA-N 0 0 343.426 5.730 50 30 EKEARN O=C(/C=C/c1c(F)cccc1Cl)c1ccc(Br)cc1 ZINC000008376667 563628232 /nfs/dbraw/zinc/62/82/32/563628232.db2.gz PMHCDJXDHLAVEC-CMDGGOBGSA-N 0 0 339.591 5.138 50 30 EKEARN CCCCCCCCCCCCCCc1ccc(NC(C)=O)cc1 ZINC000008384726 563628609 /nfs/dbraw/zinc/62/86/09/563628609.db2.gz DTODVLUOZMBPON-UHFFFAOYSA-N 0 0 331.544 6.889 50 30 EKEARN CCCCCCCCOc1ccc(/C=C\C(=O)N(CC)CC)cc1 ZINC000008385823 564164823 /nfs/dbraw/zinc/16/48/23/564164823.db2.gz WZIWGOJLFJQNKS-VKAVYKQESA-N 0 0 331.500 5.308 50 30 EKEARN CCCCCCCCCCCCNC(=O)c1c(OC)cccc1OC ZINC000008387024 563629050 /nfs/dbraw/zinc/62/90/50/563629050.db2.gz YNQLPKRJJMIQGO-UHFFFAOYSA-N 0 0 349.515 5.355 50 30 EKEARN CCCCCCCCCCCCCC(=O)Nc1nnc(CC)s1 ZINC000008387027 564117923 /nfs/dbraw/zinc/11/79/23/564117923.db2.gz ZVJOUCSAPLPOCV-UHFFFAOYSA-N 0 0 339.549 5.740 50 30 EKEARN CCCCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000008396377 210949177 /nfs/dbraw/zinc/94/91/77/210949177.db2.gz ZPSNHYCBDDUZGV-UHFFFAOYSA-N 0 0 330.497 5.889 50 30 EKEARN CCCCCCCCC(=O)Nc1c(C)c(CC)nc2ccccc21 ZINC000008397686 563629379 /nfs/dbraw/zinc/62/93/79/563629379.db2.gz SXZNSJPLMOVRDF-UHFFFAOYSA-N 0 0 326.484 5.795 50 30 EKEARN CCCCCCCCC(=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000008397702 563629325 /nfs/dbraw/zinc/62/93/25/563629325.db2.gz OSPPTABJRUTLLQ-UHFFFAOYSA-N 0 0 328.500 5.138 50 30 EKEARN CCCCCCCCSc1ccc(-c2ccc(CC)cn2)cc1 ZINC000008397790 262520501 /nfs/dbraw/zinc/52/05/01/262520501.db2.gz QIGQHXFXSBUJIH-UHFFFAOYSA-N 0 0 327.537 6.764 50 30 EKEARN CCCCCCCCCC1CCC(c2ccc(C(C)=O)cc2)CC1 ZINC000008397997 563629318 /nfs/dbraw/zinc/62/93/18/563629318.db2.gz QRMQGUYQXLKOJE-UHFFFAOYSA-N 0 0 328.540 7.304 50 30 EKEARN CCCCCCCCCC(=O)Nc1c2c(nc3c1CCCC3)CCC2 ZINC000008398131 563629270 /nfs/dbraw/zinc/62/92/70/563629270.db2.gz YRSPWZQCMDNENJ-UHFFFAOYSA-N 0 0 342.527 5.528 50 30 EKEARN CCCCCCCCCCCCNC1=CC(=O)OC12CCCCC2 ZINC000008424555 262520148 /nfs/dbraw/zinc/52/01/48/262520148.db2.gz YLAQOYXDQQBJMO-UHFFFAOYSA-N 0 0 335.532 5.641 50 30 EKEARN CCCCCCCCCCOc1ccc(C(=O)NC2CCCC2)cc1 ZINC000008424855 563630151 /nfs/dbraw/zinc/63/01/51/563630151.db2.gz SSJDDVHSEHNXHM-UHFFFAOYSA-N 0 0 345.527 5.879 50 30 EKEARN CCCCCCCCCCNC(=O)CC[C@H](O)CCCCCCC ZINC000008426990 564165190 /nfs/dbraw/zinc/16/51/90/564165190.db2.gz GRAUNGJAZWBAQD-HXUWFJFHSA-N 0 0 341.580 5.745 50 30 EKEARN CCCCCCCCCCNC(=O)CC[C@@H](O)CCCCCCC ZINC000008426991 564165180 /nfs/dbraw/zinc/16/51/80/564165180.db2.gz GRAUNGJAZWBAQD-FQEVSTJZSA-N 0 0 341.580 5.745 50 30 EKEARN CCCCCCCCCCCCCCCCOC[C@@H]1COC(=O)O1 ZINC000008431266 563630141 /nfs/dbraw/zinc/63/01/41/563630141.db2.gz XWKFINNRGOHTHO-LJQANCHMSA-N 0 0 342.520 6.020 50 30 EKEARN CCCCCCCCCCCCCCCCOC[C@H]1COC(=O)O1 ZINC000008431268 563630046 /nfs/dbraw/zinc/63/00/46/563630046.db2.gz XWKFINNRGOHTHO-IBGZPJMESA-N 0 0 342.520 6.020 50 30 EKEARN CCCCCCCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000008432230 563630010 /nfs/dbraw/zinc/63/00/10/563630010.db2.gz NVCIBCALQWQAKR-OAHLLOKOSA-N 0 0 346.540 5.824 50 30 EKEARN CCCCCCCCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000008432231 563630147 /nfs/dbraw/zinc/63/01/47/563630147.db2.gz NVCIBCALQWQAKR-HNNXBMFYSA-N 0 0 346.540 5.824 50 30 EKEARN CCCCCCCCCCCNC(=O)COc1ccc(Cl)cc1 ZINC000008432291 262520811 /nfs/dbraw/zinc/52/08/11/262520811.db2.gz KEXMVLAROHFXME-UHFFFAOYSA-N 0 0 339.907 5.366 50 30 EKEARN CCCCCCCCc1nnc(SCc2ccc(C)cc2C)[nH]1 ZINC000008432574 564165323 /nfs/dbraw/zinc/16/53/23/564165323.db2.gz BTCQDWVIGSRURO-UHFFFAOYSA-N 0 0 331.529 5.617 50 30 EKEARN CCCCCCCCCCCn1c2ccccc2nc1CCCO ZINC000008440023 262520313 /nfs/dbraw/zinc/52/03/13/262520313.db2.gz UVQIZRNVGPIGHV-UHFFFAOYSA-N 0 0 330.516 5.492 50 30 EKEARN CCCCCCCCCCCCCC(=O)Nc1nc2ccccc2[nH]1 ZINC000008442492 262520450 /nfs/dbraw/zinc/52/04/50/262520450.db2.gz LQDJVORSHXSUQI-UHFFFAOYSA-N 0 0 343.515 6.203 50 30 EKEARN CCCCCCCCCCCCNC(=O)/C=C/c1ccccc1Cl ZINC000008443605 563630500 /nfs/dbraw/zinc/63/05/00/563630500.db2.gz USKIAXJIHKGEKH-WUKNDPDISA-N 0 0 349.946 6.390 50 30 EKEARN CCCCCCCCCCCC(=O)Nc1nc2cc(C)ccc2s1 ZINC000008445946 563630520 /nfs/dbraw/zinc/63/05/20/563630520.db2.gz LLSSNZJFZYFJGD-UHFFFAOYSA-N 0 0 346.540 6.464 50 30 EKEARN CCCCCCCCCCCCCCCC(=O)Nc1cc(C)ccn1 ZINC000008450729 563630512 /nfs/dbraw/zinc/63/05/12/563630512.db2.gz BWXYZOBKLJRCHH-UHFFFAOYSA-N 0 0 346.559 6.810 50 30 EKEARN CCCCCCCCCCCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000008452150 564016349 /nfs/dbraw/zinc/01/63/49/564016349.db2.gz GHCWNUYNWRWIAH-UHFFFAOYSA-N 0 0 347.499 5.723 50 30 EKEARN CCCCCCCCCCCCNC(=O)COc1cccc(C)c1 ZINC000008452301 262520356 /nfs/dbraw/zinc/52/03/56/262520356.db2.gz MKFHDUBEYFUIAI-UHFFFAOYSA-N 0 0 333.516 5.411 50 30 EKEARN CCCCCCCCCCCCCC(=O)Oc1ccc(OC)cc1 ZINC000008452336 563630511 /nfs/dbraw/zinc/63/05/11/563630511.db2.gz BYCQJIJKYKHTRV-UHFFFAOYSA-N 0 0 334.500 6.302 50 30 EKEARN CCCCCCCCCCCCCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000008452344 563630473 /nfs/dbraw/zinc/63/04/73/563630473.db2.gz FJZPIZWNSRTFJQ-UHFFFAOYSA-N 0 0 345.527 6.529 50 30 EKEARN CCCCCCCCCCC(=O)Nc1cccc(C(=O)OCC)c1 ZINC000008452408 563630508 /nfs/dbraw/zinc/63/05/08/563630508.db2.gz PANMMAVAYMAQJA-UHFFFAOYSA-N 0 0 333.472 5.333 50 30 EKEARN CCCCCCCCCCC(=O)Nc1ccccc1C(=O)OCC ZINC000008452409 563630502 /nfs/dbraw/zinc/63/05/02/563630502.db2.gz VQUVWUFEWQOVGO-UHFFFAOYSA-N 0 0 333.472 5.333 50 30 EKEARN CCCCCCCCCCCCCCCC(=O)Nc1nccc(C)n1 ZINC000008453320 262520442 /nfs/dbraw/zinc/52/04/42/262520442.db2.gz BZXMYAYZDPSEOP-UHFFFAOYSA-N 0 0 347.547 6.205 50 30 EKEARN CCCCCCCCCC(=O)Oc1cc(C)c(Cl)cc1C(C)C ZINC000008453337 262520132 /nfs/dbraw/zinc/52/01/32/262520132.db2.gz HNUKGXKDZRZRFP-UHFFFAOYSA-N 0 0 338.919 6.818 50 30 EKEARN CCCCCCCCCCCCCCCCn1nnc2ccccc21 ZINC000008453595 563630487 /nfs/dbraw/zinc/63/04/87/563630487.db2.gz OZJXIBNUHGZIOC-UHFFFAOYSA-N 0 0 343.559 6.913 50 30 EKEARN CCCCCCCCCC(=O)Nc1c2c(nc3c1CCC3)CCC2 ZINC000008453954 563630954 /nfs/dbraw/zinc/63/09/54/563630954.db2.gz ZMAHYMOYDHBMSU-UHFFFAOYSA-N 0 0 328.500 5.138 50 30 EKEARN Cc1ccc(-c2csc(=NNC3=CC(=O)CC(C)(C)C3)[nH]2)cc1 ZINC000008507717 564165507 /nfs/dbraw/zinc/16/55/07/564165507.db2.gz UDWDKPCYIKXHJM-XSFVSMFZSA-N 0 0 327.453 5.148 50 30 EKEARN FC(F)(F)c1ccc(Cl)c(NC2=Nc3ccccc3CS2)c1 ZINC000008519579 564035792 /nfs/dbraw/zinc/03/57/92/564035792.db2.gz OYHISQXRPZOSMA-UHFFFAOYSA-N 0 0 342.773 5.705 50 30 EKEARN O=C(/C=C/Sc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1 ZINC000008552990 563632375 /nfs/dbraw/zinc/63/23/75/563632375.db2.gz WFMUVLVAVBQMMS-BQYQJAHWSA-N 0 0 343.757 5.243 50 30 EKEARN C=CCN(CC=C)Cc1c(-c2ccccc2)[nH]c2ccc(C)cc2c1=O ZINC000008572516 564165788 /nfs/dbraw/zinc/16/57/88/564165788.db2.gz FURBXBGYYZUDSV-UHFFFAOYSA-N 0 0 344.458 5.090 50 30 EKEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1cccc(C)c1C ZINC000008572911 201753614 /nfs/dbraw/zinc/75/36/14/201753614.db2.gz PQRACLYWCMVABI-ACCUITESSA-N 0 0 344.252 5.265 50 30 EKEARN N#Cc1c(-c2ccc(Cl)cc2)csc1[S@](=O)C1CCCCC1 ZINC000008637202 564134035 /nfs/dbraw/zinc/13/40/35/564134035.db2.gz FFIREXREGJCEOO-QFIPXVFZSA-N 0 0 349.908 5.380 50 30 EKEARN Cc1cccc(-c2c3c(c(C#N)c4nc5ccccc5n42)CCCC3)c1 ZINC000008656897 210978426 /nfs/dbraw/zinc/97/84/26/210978426.db2.gz VRQNYOBONOAHHI-UHFFFAOYSA-N 0 0 337.426 5.213 50 30 EKEARN CC[C@@H](C)c1ccc(NC(=S)Nc2ccc(OC)c(OC)c2)cc1 ZINC000008682467 563634946 /nfs/dbraw/zinc/63/49/46/563634946.db2.gz OCGRAYOBSHCJQP-CYBMUJFWSA-N 0 0 344.480 5.247 50 30 EKEARN CC[C@H](C)c1ccc(NC(=S)Nc2ccc(OC)c(OC)c2)cc1 ZINC000008682468 563634928 /nfs/dbraw/zinc/63/49/28/563634928.db2.gz OCGRAYOBSHCJQP-ZDUSSCGKSA-N 0 0 344.480 5.247 50 30 EKEARN CC(C)c1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1 ZINC000008682771 563634970 /nfs/dbraw/zinc/63/49/70/563634970.db2.gz UGXKXTCDRXDCLA-UHFFFAOYSA-N 0 0 337.492 5.232 50 30 EKEARN C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccc(F)cc1 ZINC000008684771 563635306 /nfs/dbraw/zinc/63/53/06/563635306.db2.gz VIBQRHWTFZQAMS-YUNKPMOVSA-N 0 0 339.435 5.338 50 30 EKEARN C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccc(F)cc1 ZINC000008684772 563635263 /nfs/dbraw/zinc/63/52/63/563635263.db2.gz VIBQRHWTFZQAMS-ODXCJYRJSA-N 0 0 339.435 5.338 50 30 EKEARN C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccc(F)cc1 ZINC000008684773 210979293 /nfs/dbraw/zinc/97/92/93/210979293.db2.gz VIBQRHWTFZQAMS-FKIZINRSSA-N 0 0 339.435 5.338 50 30 EKEARN C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccc(F)cc1 ZINC000008684774 201756229 /nfs/dbraw/zinc/75/62/29/201756229.db2.gz VIBQRHWTFZQAMS-MPBGBICISA-N 0 0 339.435 5.338 50 30 EKEARN Cc1ccc(SCCNC(=S)Nc2ccc(C)cc2C)cc1 ZINC000008684841 563635230 /nfs/dbraw/zinc/63/52/30/563635230.db2.gz MOJMVAYTMNIPLN-UHFFFAOYSA-N 0 0 330.522 5.102 50 30 EKEARN Cc1cccc(NC(=S)NCc2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000008685204 564166317 /nfs/dbraw/zinc/16/63/17/564166317.db2.gz KNESQAPVMXLWPV-UHFFFAOYSA-N 0 0 349.503 5.253 50 30 aggregator EKEARN Cc1ccc(NC(=S)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000008685208 564166318 /nfs/dbraw/zinc/16/63/18/564166318.db2.gz SPHWOEIHDLNOAK-UHFFFAOYSA-N 0 0 349.503 5.253 50 30 EKEARN C[C@@H](Cc1cccs1)NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000008692020 210981053 /nfs/dbraw/zinc/98/10/53/210981053.db2.gz XVDGSCKPCHCWHT-VIFPVBQESA-N 0 0 345.320 5.384 50 30 EKEARN C[C@H](Cc1cccs1)NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000008692021 564166393 /nfs/dbraw/zinc/16/63/93/564166393.db2.gz XVDGSCKPCHCWHT-SECBINFHSA-N 0 0 345.320 5.384 50 30 EKEARN C[C@H](NC(=S)Nc1c(Cl)cccc1OC(F)F)C(C)(C)C ZINC000008694045 564166391 /nfs/dbraw/zinc/16/63/91/564166391.db2.gz ZRKXGRFJLIBNAY-QMMMGPOBSA-N 0 0 336.835 5.074 50 30 EKEARN O=C(/C=C\c1ccccc1)ON=C1CCCCCCCCCCC1 ZINC000008733342 564167059 /nfs/dbraw/zinc/16/70/59/564167059.db2.gz AFZHOVKJSZSIIS-ZCXUNETKSA-N 0 0 327.468 5.904 50 30 EKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CCC(C)=O ZINC000008767314 211001666 /nfs/dbraw/zinc/00/16/66/211001666.db2.gz RUJSTMILPJJENL-JJFXEYKMSA-N 0 0 330.556 6.881 50 30 EKEARN CCCCCCCCCCCCCCCCOC[C@@H](CO)OC ZINC000008860482 201762090 /nfs/dbraw/zinc/76/20/90/201762090.db2.gz XAWCMDFDFNRKGK-HXUWFJFHSA-N 0 0 330.553 5.492 50 30 EKEARN CCCCCCCCCCCCCCCCOC[C@H](CO)OC ZINC000008860483 211012837 /nfs/dbraw/zinc/01/28/37/211012837.db2.gz XAWCMDFDFNRKGK-FQEVSTJZSA-N 0 0 330.553 5.492 50 30 in-vitro EKEARN CCCCC1CCC(c2nc(C#N)c(NCc3ccco3)o2)CC1 ZINC000008868423 211013745 /nfs/dbraw/zinc/01/37/45/211013745.db2.gz SGVWBMIWJYKRRD-UHFFFAOYSA-N 0 0 327.428 5.215 50 30 EKEARN C=CCCCCCCCCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000008914809 258018132 /nfs/dbraw/zinc/01/81/32/258018132.db2.gz SLNCVMTYHZZIAU-UHFFFAOYSA-N 0 0 344.524 5.323 50 30 EKEARN CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O ZINC000008990307 211028892 /nfs/dbraw/zinc/02/88/92/211028892.db2.gz XIIJANYUIGVUAC-ODLFYWEKSA-N 0 0 340.806 5.301 50 30 EKEARN Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccccc2Cl)n1 ZINC000008991138 211028144 /nfs/dbraw/zinc/02/81/44/211028144.db2.gz QWIFBMHPARYUST-UHFFFAOYSA-N 0 0 342.773 5.226 50 30 EKEARN C=C(C)CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N ZINC000008991512 211028687 /nfs/dbraw/zinc/02/86/87/211028687.db2.gz OZCOYWWNWPSEPM-UHFFFAOYSA-N 0 0 334.366 5.307 50 30 EKEARN CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O ZINC000009049439 211034115 /nfs/dbraw/zinc/03/41/15/211034115.db2.gz ARKMEOWKBIQCEH-ODLFYWEKSA-N 0 0 340.806 5.301 50 30 EKEARN Cc1cc(C(F)(F)F)c(C#N)c(SC/C=C/c2ccccc2)n1 ZINC000009304740 211062753 /nfs/dbraw/zinc/06/27/53/211062753.db2.gz SACFVEJTHGCLCP-VMPITWQZSA-N 0 0 334.366 5.086 50 30 EKEARN Cc1coc2c1c(C)cc1o/c(=N/N=C3CCCCC3)c3c(c21)CCC3 ZINC000009341729 211071301 /nfs/dbraw/zinc/07/13/01/211071301.db2.gz DWXWDMRGLLPNQO-ZNTNEXAZSA-N 0 0 348.446 5.505 50 30 EKEARN C=C(C)COc1ccc(-c2n[nH]cc2-c2ccc(Cl)cc2)c(O)c1 ZINC000009350738 211071799 /nfs/dbraw/zinc/07/17/99/211071799.db2.gz KHDLHSMILMKNOW-UHFFFAOYSA-N 0 0 340.810 5.058 50 30 EKEARN Cc1nc2scc(-c3cccs3)c2c(SCCCC#N)n1 ZINC000009365718 211075233 /nfs/dbraw/zinc/07/52/33/211075233.db2.gz CSRIFRVHAQZTKX-UHFFFAOYSA-N 0 0 331.491 5.124 50 30 EKEARN C=C(C)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000009422019 211083398 /nfs/dbraw/zinc/08/33/98/211083398.db2.gz HNHBTEOLOGPCLA-UHFFFAOYSA-N 0 0 340.395 5.369 50 30 EKEARN CCOc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O ZINC000009481366 211091208 /nfs/dbraw/zinc/09/12/08/211091208.db2.gz NXNARPIGLWDQLG-APSNUPSMSA-N 0 0 335.186 5.008 50 30 EKEARN CCc1cccc(C)c1NC=CC(=O)c1ccc(Br)cc1 ZINC000009553490 211101756 /nfs/dbraw/zinc/10/17/56/211101756.db2.gz LDKAHSYEUXKMLL-VAWYXSNFSA-N 0 0 344.252 5.128 50 30 EKEARN CC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000009592160 564134443 /nfs/dbraw/zinc/13/44/43/564134443.db2.gz WNRYARYMHWSQSW-UHFFFAOYSA-N 0 0 329.399 5.382 50 30 EKEARN CCCCC1CCC(c2nc(C#N)c(NCc3ccccc3)o2)CC1 ZINC000009764281 564174636 /nfs/dbraw/zinc/17/46/36/564174636.db2.gz MBIZOHSUYNTVBJ-UHFFFAOYSA-N 0 0 337.467 5.622 50 30 EKEARN CC(Cc1ccccc1)N=Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000009925845 563645233 /nfs/dbraw/zinc/64/52/33/563645233.db2.gz QQHKEAQKXFYORE-FYJGNVAPSA-N 0 0 341.867 5.494 50 30 EKEARN C=CCn1nc(SCc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000009936801 258018290 /nfs/dbraw/zinc/01/82/90/258018290.db2.gz WXRDBJMQYLBOAV-UHFFFAOYSA-N 0 0 341.867 5.077 50 30 EKEARN N#Cc1ccc(-c2sc3nc(-c4ccccc4)ccc3c2N)cc1 ZINC000009970609 211137296 /nfs/dbraw/zinc/13/72/96/211137296.db2.gz HRKKZFZTNUMYEC-UHFFFAOYSA-N 0 0 327.412 5.084 50 30 EKEARN Cc1sc(NC(=O)CCCSc2ccc(C)cc2)c(C#N)c1C ZINC000010217937 211153933 /nfs/dbraw/zinc/15/39/33/211153933.db2.gz SIGIOXALIDLDTE-UHFFFAOYSA-N 0 0 344.505 5.056 50 30 EKEARN CCC(C)(C)NC(=O)CSc1nc(C)c(C)n1C1CCCCC1 ZINC000010870326 521262082 /nfs/dbraw/zinc/26/20/82/521262082.db2.gz JUMFRVVJECIOIK-UHFFFAOYSA-N 0 0 337.533 5.242 50 30 EKEARN Cc1nc(SCc2ccccc2C#N)n(C2CCCCC2)c1C ZINC000010870465 211192601 /nfs/dbraw/zinc/19/26/01/211192601.db2.gz ZCEZVIKRAPPVMK-UHFFFAOYSA-N 0 0 325.481 5.169 50 30 EKEARN Cc1oc(-c2ccccc2)nc1CSc1nc(C)c(C)c(C)c1C#N ZINC000011226740 201807525 /nfs/dbraw/zinc/80/75/25/201807525.db2.gz UMKWRARKJULAMS-UHFFFAOYSA-N 0 0 349.459 5.134 50 30 EKEARN Cc1ccsc1/C=C(\C(=O)c1ccccc1)c1nc2ccccc2o1 ZINC000011614203 211227059 /nfs/dbraw/zinc/22/70/59/211227059.db2.gz RJQGWHUBUZVJTP-DTQAZKPQSA-N 0 0 345.423 5.621 50 30 EKEARN O=C(/C(=C\c1cccs1)c1nc2ccccc2o1)c1ccccc1 ZINC000011614204 211226681 /nfs/dbraw/zinc/22/66/81/211226681.db2.gz MFAWFIUAIALBNK-DTQAZKPQSA-N 0 0 331.396 5.313 50 30 EKEARN Cc1ccc(-c2csc(N=NCc3c[nH]c4ccccc34)n2)cc1 ZINC000011991891 564076142 /nfs/dbraw/zinc/07/61/42/564076142.db2.gz COUPLIHRDNQQQT-SRZZPIQSSA-N 0 0 332.432 5.046 50 30 EKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c(=S)c2C#N)cc1 ZINC000012250074 564033223 /nfs/dbraw/zinc/03/32/23/564033223.db2.gz YHCGFDCNFSFDPD-UHFFFAOYSA-N 0 0 336.847 5.912 50 30 EKEARN CC/C(=N\OCc1ccccc1Cl)c1cc(C(F)(F)F)ccn1 ZINC000012338579 564135174 /nfs/dbraw/zinc/13/51/74/564135174.db2.gz MUFURBIYRAVIJQ-HYARGMPZSA-N 0 0 342.748 5.085 50 30 EKEARN O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C\c1ccccc1Cl ZINC000012339524 211352843 /nfs/dbraw/zinc/35/28/43/211352843.db2.gz WIBPUZAXVOPNDF-MTPVXSITSA-N 0 0 346.813 5.740 50 30 EKEARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C\c1ccccc1Cl ZINC000012339525 211353262 /nfs/dbraw/zinc/35/32/62/211353262.db2.gz WIBPUZAXVOPNDF-JIDPPIHHSA-N 0 0 346.813 5.740 50 30 EKEARN O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C\c1ccc(Cl)cc1 ZINC000012339528 211353041 /nfs/dbraw/zinc/35/30/41/211353041.db2.gz GKLOKWXEPRNITG-PZNLSKEWSA-N 0 0 346.813 5.740 50 30 EKEARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C\c1ccc(Cl)cc1 ZINC000012339529 211353235 /nfs/dbraw/zinc/35/32/35/211353235.db2.gz GKLOKWXEPRNITG-DJAVKIJBSA-N 0 0 346.813 5.740 50 30 EKEARN COc1ccccc1/C=C1\C(=O)c2ccccc2O[C@H]1c1ccccc1 ZINC000012339534 211352402 /nfs/dbraw/zinc/35/24/02/211352402.db2.gz UHVCPSYLNUUCIQ-UWUFYVNFSA-N 0 0 342.394 5.095 50 30 EKEARN COc1ccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccccc2)cc1 ZINC000012339535 211353281 /nfs/dbraw/zinc/35/32/81/211353281.db2.gz LBUIGFCPSGJSAD-FIWMFUAISA-N 0 0 342.394 5.095 50 30 EKEARN COc1ccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1 ZINC000012339536 211352748 /nfs/dbraw/zinc/35/27/48/211352748.db2.gz LBUIGFCPSGJSAD-QFXGEWDLSA-N 0 0 342.394 5.095 50 30 EKEARN O=C1/C(=C\c2ccc(Cl)cc2)CCC/C1=C/c1ccc(Cl)cc1 ZINC000012340163 211352489 /nfs/dbraw/zinc/35/24/89/211352489.db2.gz MNFGLQYSNLSOHP-MCOFMCJXSA-N 0 0 343.253 6.213 50 30 EKEARN O=C1/C(=C\c2ccccc2Cl)CCC/C1=C/c1ccccc1Cl ZINC000012340164 211352819 /nfs/dbraw/zinc/35/28/19/211352819.db2.gz QLOHWWSWUAXAGS-MCOFMCJXSA-N 0 0 343.253 6.213 50 30 EKEARN CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000012342934 211352281 /nfs/dbraw/zinc/35/22/81/211352281.db2.gz GKFQJEKJOVJPNX-QNGOZBTKSA-N 0 0 331.375 5.098 50 30 EKEARN C/C(=N\OCc1cccc(Cl)c1Cl)c1ccc(CC#N)s1 ZINC000012350992 563658534 /nfs/dbraw/zinc/65/85/34/563658534.db2.gz CBIBZRVAHFLFBP-VXLYETTFSA-N 0 0 339.247 5.062 50 30 EKEARN N#Cc1c2c(sc1/N=C/c1c(O)ccc3ccccc31)CCCC2 ZINC000012360329 211355616 /nfs/dbraw/zinc/35/56/16/211355616.db2.gz PGNHOGXLZUATQT-WSDLNYQXSA-N 0 0 332.428 5.108 50 30 EKEARN CC(=O)C=C(C)Nc1ccc(-c2ccc(NC(C)=CC(C)=O)cc2)cc1 ZINC000012362096 211355518 /nfs/dbraw/zinc/35/55/18/211355518.db2.gz MOJSUVOVMBDNCO-WXUKJITCSA-N 0 0 348.446 5.163 50 30 EKEARN O=C(C=C(CC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000012367650 564132728 /nfs/dbraw/zinc/13/27/28/564132728.db2.gz DNFKLFZFLOSFFB-PGMHBOJBSA-N 0 0 326.395 5.226 50 30 EKEARN COc1cccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccccc2)c1 ZINC000012368255 211356941 /nfs/dbraw/zinc/35/69/41/211356941.db2.gz NNXVIEWKGKMBNP-FIWMFUAISA-N 0 0 342.394 5.095 50 30 EKEARN COc1cccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccccc2)c1 ZINC000012368256 211357807 /nfs/dbraw/zinc/35/78/07/211357807.db2.gz NNXVIEWKGKMBNP-QFXGEWDLSA-N 0 0 342.394 5.095 50 30 EKEARN O=C1c2ccccc2CCC/C1=C\c1ccc(Br)cc1 ZINC000012368728 211356725 /nfs/dbraw/zinc/35/67/25/211356725.db2.gz MKLUVKHXILPJIR-NTCAYCPXSA-N 0 0 327.221 5.052 50 30 EKEARN O=C1c2ccsc2SC/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000012368930 211357475 /nfs/dbraw/zinc/35/74/75/211357475.db2.gz IWLFDFLYKRXFIX-YFHOEESVSA-N 0 0 326.364 5.139 50 30 EKEARN Clc1ccc(/N=C/c2c(-c3ccccc3)nc3n2CCS3)cc1 ZINC000012369022 211356928 /nfs/dbraw/zinc/35/69/28/211356928.db2.gz GEAREIBXPOCIAZ-UDWIEESQSA-N 0 0 339.851 5.060 50 30 EKEARN Cc1ccc(C(=O)/C(=C\N(C)C)Sc2ccc(Cl)cc2)cc1 ZINC000012369765 211356746 /nfs/dbraw/zinc/35/67/46/211356746.db2.gz BRZNQJDXZVGFQS-SFQUDFHCSA-N 0 0 331.868 5.026 50 30 EKEARN CC1(C)[C@H]2CC[C@]1(C)C(N=Nc1nc(-c3cccs3)cs1)C2 ZINC000012374298 211359492 /nfs/dbraw/zinc/35/94/92/211359492.db2.gz ODZLJGDWICDQIS-ZPSPFCAJSA-N 0 0 331.510 5.486 50 30 EKEARN O=C1Nc2ccccc2/C1=N/c1ccc(/N=N/c2ccccc2)cc1 ZINC000012375822 211359757 /nfs/dbraw/zinc/35/97/57/211359757.db2.gz ASRRMNKOCQXDDL-WCWDXBQESA-N 0 0 326.359 5.175 50 30 EKEARN O=C1c2ccccc2S/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000012377208 201842897 /nfs/dbraw/zinc/84/28/97/201842897.db2.gz QCKAAFHBABAJIP-WOJGMQOQSA-N 0 0 338.815 5.930 50 30 EKEARN O=C(/C(=C\c1ccccc1F)c1nc2ccccc2o1)c1ccccc1 ZINC000012377892 201842371 /nfs/dbraw/zinc/84/23/71/201842371.db2.gz ALWZVJISZDZCIT-SAPNQHFASA-N 0 0 343.357 5.390 50 30 EKEARN Cc1ccc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)o1 ZINC000012377897 211360067 /nfs/dbraw/zinc/36/00/67/211360067.db2.gz DPBMDRCZDULOEI-QGOAFFKASA-N 0 0 343.382 5.461 50 30 EKEARN O=C1c2cccc3cccc(c23)/C1=C\c1ccc(Br)cc1 ZINC000012378072 564135243 /nfs/dbraw/zinc/13/52/43/564135243.db2.gz IRPFVLYHJRFGGX-GZTJUZNOSA-N 0 0 335.200 5.339 50 30 EKEARN C/C(=N/OC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C)cc1 ZINC000012403929 518455668 /nfs/dbraw/zinc/45/56/68/518455668.db2.gz RCGZSPZBCWVNQC-QJOMJCCJSA-N 0 0 329.399 5.243 50 30 EKEARN O=C(C=C(Sc1ccccc1)Sc1ccccc1)C(F)(F)F ZINC000012404787 526314960 /nfs/dbraw/zinc/31/49/60/526314960.db2.gz PDCMALAZNDNDJP-UHFFFAOYSA-N 0 0 340.391 5.544 50 30 EKEARN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc(F)cc1 ZINC000012406264 211370912 /nfs/dbraw/zinc/37/09/12/211370912.db2.gz IKFNLMXFFZPMRT-LYBHJNIJSA-N 0 0 348.421 5.051 50 30 EKEARN CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccccc1 ZINC000012406394 211370779 /nfs/dbraw/zinc/37/07/79/211370779.db2.gz ZIBCDVQPZLGYBP-UAHNYKDTSA-N 0 0 332.447 5.002 50 30 EKEARN CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccccc1 ZINC000012406396 211370273 /nfs/dbraw/zinc/37/02/73/211370273.db2.gz ZIBCDVQPZLGYBP-BUABVIFSSA-N 0 0 332.447 5.002 50 30 EKEARN Oc1ccccc1/C=N\c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000012436433 563660764 /nfs/dbraw/zinc/66/07/64/563660764.db2.gz MDZPQWBMHRKDAU-NHDPSOOVSA-N 0 0 338.476 5.067 50 30 EKEARN Cc1cc(/C=C2\Sc3ccccc3C2=O)c(C)n1-c1ccc(C)cc1 ZINC000012462102 211389297 /nfs/dbraw/zinc/38/92/97/211389297.db2.gz OGWSTUMFRRURLP-BKUYFWCQSA-N 0 0 345.467 5.732 50 30 EKEARN Cc1ccc2c(c1)-c1nc3c(C)cccc3cc1/C2=N\c1ccccc1 ZINC000012462695 563661465 /nfs/dbraw/zinc/66/14/65/563661465.db2.gz GBPUNSGNORHINF-BZZOAKBMSA-N 0 0 334.422 6.001 50 30 EKEARN Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(C(C)C)cc3)S2)c1 ZINC000012462718 211389316 /nfs/dbraw/zinc/38/93/16/211389316.db2.gz RPFJFFIOMKCAPQ-LDADJPATSA-N 0 0 336.460 5.010 50 30 EKEARN N#Cc1ccccc1-c1ccc(CSc2nccn2C2CC2)cc1 ZINC000012506599 211394930 /nfs/dbraw/zinc/39/49/30/211394930.db2.gz AJBGBQPXWFGCKW-UHFFFAOYSA-N 0 0 331.444 5.049 50 30 EKEARN Cc1cc(C)c(C#N)c(SCCOc2ccc(C(C)C)c(C)c2)n1 ZINC000012546779 564058925 /nfs/dbraw/zinc/05/89/25/564058925.db2.gz AFGURVVMZFXTSZ-UHFFFAOYSA-N 0 0 340.492 5.173 50 30 EKEARN N#Cc1ccc(CSc2ncc(-c3ccccc3)n2C2CC2)cc1 ZINC000012548153 564058964 /nfs/dbraw/zinc/05/89/64/564058964.db2.gz PGKINWRPNFPWGM-UHFFFAOYSA-N 0 0 331.444 5.049 50 30 EKEARN N#CCCn1c2ccccc2nc1SCc1c(F)cccc1Cl ZINC000012551465 211407641 /nfs/dbraw/zinc/40/76/41/211407641.db2.gz SKVNFMMQBPJCDG-UHFFFAOYSA-N 0 0 345.830 5.035 50 30 EKEARN O=C1c2cccc3cccc(c23)/C1=C\c1ccc(Cl)cc1Cl ZINC000012558506 201854542 /nfs/dbraw/zinc/85/45/42/201854542.db2.gz BQXBRZMXCMEWRU-CXUHLZMHSA-N 0 0 325.194 5.884 50 30 EKEARN Cc1ccc(/N=C2/c3cc(C)cc4c3N(C2=O)C(C)(C)C[C@H]4C)cc1 ZINC000012631549 563666098 /nfs/dbraw/zinc/66/60/98/563666098.db2.gz WXBLIYCIORBJER-GUYLDNPGSA-N 0 0 332.447 5.057 50 30 EKEARN Cc1ccc(/N=C2/c3cc(C)cc4c3N(C2=O)C(C)(C)C[C@@H]4C)cc1 ZINC000012631552 563666116 /nfs/dbraw/zinc/66/61/16/563666116.db2.gz WXBLIYCIORBJER-BXPXOOBPSA-N 0 0 332.447 5.057 50 30 EKEARN N#Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1 ZINC000012631647 211428104 /nfs/dbraw/zinc/42/81/04/211428104.db2.gz YNSPNLRAQBTECW-UHFFFAOYSA-N 0 0 340.813 6.094 50 30 EKEARN N#Cc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 ZINC000012633153 211428173 /nfs/dbraw/zinc/42/81/73/211428173.db2.gz ZADVPTOFUDJECW-UHFFFAOYSA-N 0 0 340.813 6.094 50 30 EKEARN CCCCCSc1c(CC)c(C)c(C#N)c2nc3ccccc3n21 ZINC000012648581 211429073 /nfs/dbraw/zinc/42/90/73/211429073.db2.gz MFEYKGVLYNAQQJ-UHFFFAOYSA-N 0 0 337.492 5.512 50 30 EKEARN Cc1ccc(CSc2cc(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000012648597 211429112 /nfs/dbraw/zinc/42/91/12/211429112.db2.gz CFAKSSOXORPEDS-UHFFFAOYSA-N 0 0 343.455 5.268 50 30 EKEARN CCCCCCNc1c2c(c(C#N)c3nc4ccccc4n31)CCCC2 ZINC000012648726 564135400 /nfs/dbraw/zinc/13/54/00/564135400.db2.gz PFKABOXBVFSGMS-UHFFFAOYSA-N 0 0 346.478 5.230 50 30 EKEARN CCCCCCNc1c(CCC)c(C)c(C#N)c2nc3ccccc3n21 ZINC000012648757 211429242 /nfs/dbraw/zinc/42/92/42/211429242.db2.gz MBEWYDITCLBSCZ-UHFFFAOYSA-N 0 0 348.494 5.612 50 30 EKEARN CCCCCNc1c(CCC)c(C)c(C#N)c2nc3ccccc3n21 ZINC000012648770 211428756 /nfs/dbraw/zinc/42/87/56/211428756.db2.gz KACRTWJDDSNRFY-UHFFFAOYSA-N 0 0 334.467 5.222 50 30 EKEARN C=CCc1c(C)nc(-c2ccccc2)nc1N=NC(C)c1ccccc1 ZINC000012651926 201859160 /nfs/dbraw/zinc/85/91/60/201859160.db2.gz CWZHXNXJIFCDGG-PCLIKHOPSA-N 0 0 342.446 5.017 50 30 EKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C\CC/C(C)=N/O ZINC000012653661 207186967 /nfs/dbraw/zinc/18/69/67/207186967.db2.gz GKFSDTRKPOZJAE-HHKYRQLUSA-N 0 0 345.571 7.142 50 30 EKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C\CC/C(C)=N/O ZINC000012653666 211430151 /nfs/dbraw/zinc/43/01/51/211430151.db2.gz GKFSDTRKPOZJAE-FUAQFHRKSA-N 0 0 345.571 7.142 50 30 EKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CCC(C)=O ZINC000012655666 564135386 /nfs/dbraw/zinc/13/53/86/564135386.db2.gz RUJSTMILPJJENL-PSDOWTQXSA-N 0 0 330.556 6.881 50 30 EKEARN C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/CCC(C)=O ZINC000012655672 211430630 /nfs/dbraw/zinc/43/06/30/211430630.db2.gz RUJSTMILPJJENL-RLLKEQMBSA-N 0 0 330.556 6.881 50 30 EKEARN C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C/CCC(C)=O ZINC000012655675 564135399 /nfs/dbraw/zinc/13/53/99/564135399.db2.gz RUJSTMILPJJENL-UALBZMKFSA-N 0 0 330.556 6.881 50 30 EKEARN CCC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@]5(CO5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012655943 564135406 /nfs/dbraw/zinc/13/54/06/564135406.db2.gz BDIOFUIBSDCUQC-VPKNDNEBSA-N 0 0 346.555 5.329 50 30 EKEARN C[C@]1([C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)CO1 ZINC000012656065 564135410 /nfs/dbraw/zinc/13/54/10/564135410.db2.gz NDJUVJCBLCBNQW-ZHXOYZDKSA-N 0 0 330.512 5.003 50 30 EKEARN CCc1ccc(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)cc1 ZINC000012662799 211432077 /nfs/dbraw/zinc/43/20/77/211432077.db2.gz UQRCZGRHLUILPP-BKUYFWCQSA-N 0 0 334.415 5.210 50 30 EKEARN CC[C@@H](C)Nc1c(CCC(C)C)c(C)c(C#N)c2nc3ccccc3n21 ZINC000012693282 211434022 /nfs/dbraw/zinc/43/40/22/211434022.db2.gz XCZTUZVIGTYZGL-OAHLLOKOSA-N 0 0 348.494 5.467 50 30 EKEARN CC[C@H](C)Nc1c(CCC(C)C)c(C)c(C#N)c2nc3ccccc3n21 ZINC000012693289 564135495 /nfs/dbraw/zinc/13/54/95/564135495.db2.gz XCZTUZVIGTYZGL-HNNXBMFYSA-N 0 0 348.494 5.467 50 30 EKEARN Cc1nc2cc(NC(=O)COc3ccc(C(C)C)c(C)c3)ccc2o1 ZINC000012748873 564066104 /nfs/dbraw/zinc/06/61/04/564066104.db2.gz LPSBLKNOTIWUKJ-UHFFFAOYSA-N 0 0 338.407 5.235 50 30 EKEARN Cc1ccc(/C=C(/C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)o1 ZINC000012753245 525947723 /nfs/dbraw/zinc/94/77/23/525947723.db2.gz DPBMDRCZDULOEI-AQTBWJFISA-N 0 0 343.382 5.461 50 30 EKEARN O=C(/C(=C/c1ccccc1F)c1nc2ccccc2o1)c1ccccc1 ZINC000012756043 207244316 /nfs/dbraw/zinc/24/43/16/207244316.db2.gz ALWZVJISZDZCIT-VKAVYKQESA-N 0 0 343.357 5.390 50 30 EKEARN N#Cc1ccc(CSCc2csc(-c3cccs3)n2)cc1 ZINC000012796550 564135568 /nfs/dbraw/zinc/13/55/68/564135568.db2.gz ISSSYHJYASISHP-UHFFFAOYSA-N 0 0 328.487 5.177 50 30 EKEARN N#Cc1ccc(CSCc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000012813397 201869395 /nfs/dbraw/zinc/86/93/95/201869395.db2.gz RNLMYGFHGMKYNH-UHFFFAOYSA-N 0 0 340.448 5.254 50 30 EKEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O ZINC000012858454 564135678 /nfs/dbraw/zinc/13/56/78/564135678.db2.gz ZBHGNOWSWTWLBE-NHDPSOOVSA-N 0 0 334.415 5.381 50 30 EKEARN CC(C)=CCOc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O ZINC000012862114 201364492 /nfs/dbraw/zinc/36/44/92/201364492.db2.gz DJNKUMIVUMNAKB-XKZIYDEJSA-N 0 0 348.442 5.771 50 30 EKEARN N#Cc1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1 ZINC000012913079 564078041 /nfs/dbraw/zinc/07/80/41/564078041.db2.gz VIZILLUQAXWJLP-UHFFFAOYSA-N 0 0 347.226 5.332 50 30 EKEARN Cc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)o1 ZINC000012923174 563677534 /nfs/dbraw/zinc/67/75/34/563677534.db2.gz OEHCKJORUWMPCD-LGMDPLHJSA-N 0 0 329.355 5.153 50 30 EKEARN CN(C)c1ccc(/C=C2\C(=O)c3ccccc3[C@H]2c2ccccc2)cc1 ZINC000012949669 564135697 /nfs/dbraw/zinc/13/56/97/564135697.db2.gz NNOVCZSXXYEXKA-YTMAHBJJSA-N 0 0 339.438 5.164 50 30 EKEARN CN(C)c1ccc(/C=C2\C(=O)c3ccccc3[C@@H]2c2ccccc2)cc1 ZINC000012949673 564135693 /nfs/dbraw/zinc/13/56/93/564135693.db2.gz NNOVCZSXXYEXKA-AEUZFIIDSA-N 0 0 339.438 5.164 50 30 EKEARN COc1ccc(/C=C2\C(=O)c3c(cccc3F)[C@H]2c2ccccc2)cc1 ZINC000012951792 563678489 /nfs/dbraw/zinc/67/84/89/563678489.db2.gz CVSIRLZRBCNHBD-LUDQZLGDSA-N 0 0 344.385 5.246 50 30 EKEARN COc1ccc(/C=C2\C(=O)c3c(cccc3F)[C@@H]2c2ccccc2)cc1 ZINC000012951797 211493023 /nfs/dbraw/zinc/49/30/23/211493023.db2.gz CVSIRLZRBCNHBD-PHJXOXRPSA-N 0 0 344.385 5.246 50 30 EKEARN COc1ccccc1/C=C1\C(=O)c2ccccc2[C@H]1c1ccccc1 ZINC000012952971 563678467 /nfs/dbraw/zinc/67/84/67/563678467.db2.gz OGRAHEYJDZXHSL-MNJKBJKMSA-N 0 0 326.395 5.107 50 30 EKEARN COc1ccccc1/C=C1\C(=O)c2ccccc2[C@@H]1c1ccccc1 ZINC000012952979 563678513 /nfs/dbraw/zinc/67/85/13/563678513.db2.gz OGRAHEYJDZXHSL-BARSGRSVSA-N 0 0 326.395 5.107 50 30 EKEARN CSc1nc(-c2cccc(C(F)(F)F)c2)c2c(c1C#N)CCCC2 ZINC000012953161 211493127 /nfs/dbraw/zinc/49/31/27/211493127.db2.gz DACOSQBMDJXWDH-UHFFFAOYSA-N 0 0 348.393 5.240 50 30 EKEARN Cc1ccc(/C=C2\C(=O)c3c(cccc3F)[C@@H]2c2ccccc2)cc1 ZINC000012954284 563678545 /nfs/dbraw/zinc/67/85/45/563678545.db2.gz XMJKRHZJPFFTKC-PHJXOXRPSA-N 0 0 328.386 5.546 50 30 EKEARN Cc1ccc(C(=O)Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)cc1 ZINC000012954491 563678482 /nfs/dbraw/zinc/67/84/82/563678482.db2.gz NKZWWLYMFCSYQB-WJDWOHSUSA-N 0 0 342.394 5.110 50 30 EKEARN Cc1ccsc1/C=C1\C(=O)c2c(cccc2F)[C@H]1c1ccccc1 ZINC000012955550 563678593 /nfs/dbraw/zinc/67/85/93/563678593.db2.gz GUSIBPPCBKLLPS-KVVHSQDJSA-N 0 0 334.415 5.607 50 30 EKEARN Cc1ccsc1/C=C1\C(=O)c2c(cccc2F)[C@@H]1c1ccccc1 ZINC000012955554 563678493 /nfs/dbraw/zinc/67/84/93/563678493.db2.gz GUSIBPPCBKLLPS-UIRWJGRMSA-N 0 0 334.415 5.607 50 30 EKEARN N#Cc1ccc(CSCc2csc(-c3ccsc3)n2)cc1 ZINC000012976026 564135769 /nfs/dbraw/zinc/13/57/69/564135769.db2.gz QHORALJPXMGZRL-UHFFFAOYSA-N 0 0 328.487 5.177 50 30 EKEARN Clc1ccc2c(N=NC3C4CC5CC(C4)CC3C5)ccnc2c1 ZINC000013011392 563685353 /nfs/dbraw/zinc/68/53/53/563685353.db2.gz JUWNYGCZTQONBR-UHFFFAOYSA-N 0 0 325.843 5.112 50 30 EKEARN O=C(/C=C/c1ccc(Cl)cc1)c1ccc(N2CCCCCC2)cc1 ZINC000013042564 211516843 /nfs/dbraw/zinc/51/68/43/211516843.db2.gz XUDQNXXZKPNDLW-VGOFMYFVSA-N 0 0 339.866 5.617 50 30 EKEARN N#Cc1c(/N=C/c2ccco2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000013116357 564136005 /nfs/dbraw/zinc/13/60/05/564136005.db2.gz RITWGIDUBUGTGW-BUVRLJJBSA-N 0 0 338.366 5.829 50 30 EKEARN COc1ccc2c(c1)CC/C(=C/c1cccc(Cl)c1Cl)C2=O ZINC000013135246 563690526 /nfs/dbraw/zinc/69/05/26/563690526.db2.gz SZEFXILUBHCOTF-LCYFTJDESA-N 0 0 333.214 5.215 50 30 EKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(Br)n2)cc1 ZINC000013236607 211538363 /nfs/dbraw/zinc/53/83/63/211538363.db2.gz NSGBGNPPUUZWTE-UHFFFAOYSA-N 0 0 349.231 5.358 50 30 aggregator EKEARN O=C1c2c(cccc2F)[C@@H](c2ccccc2)C1=CNc1ccccc1 ZINC000013285704 563694176 /nfs/dbraw/zinc/69/41/76/563694176.db2.gz KLXAAZHEPNKLMA-BKHFDQEPSA-N 0 0 329.374 5.150 50 30 EKEARN O=C1c2c(cccc2F)[C@H](c2ccccc2)C1=CNc1ccccc1 ZINC000013285705 563694205 /nfs/dbraw/zinc/69/42/05/563694205.db2.gz KLXAAZHEPNKLMA-BXWQOUMASA-N 0 0 329.374 5.150 50 30 EKEARN Cc1cc2c(c(C)c1)-c1nc3ccccc3cc1/C2=N/c1ccccc1 ZINC000013301401 201890337 /nfs/dbraw/zinc/89/03/37/201890337.db2.gz KXSLOYHVRYVSLC-WJTDDFOZSA-N 0 0 334.422 6.001 50 30 EKEARN Cc1cc2c(c(C)c1)-c1nc3ccccc3cc1/C2=N\C1CCCCC1 ZINC000013301408 563694271 /nfs/dbraw/zinc/69/42/71/563694271.db2.gz DFOKRQCVEPUGJD-BZZOAKBMSA-N 0 0 340.470 6.002 50 30 EKEARN S[C@]12CCCC[C@H]1[C@@H](c1ccccc1)C=C(c1ccccc1)S2 ZINC000013302812 201890342 /nfs/dbraw/zinc/89/03/42/201890342.db2.gz NHPGGMMMZYRZIW-DYXWJJEUSA-N 0 0 338.541 6.374 50 30 EKEARN CC(C)(C)c1nn(-c2ccccc2)c(N=[N+]=[N-])c1C=Nc1ccccc1 ZINC000013402214 563697403 /nfs/dbraw/zinc/69/74/03/563697403.db2.gz MZZWMXIDHNUHCV-HYARGMPZSA-N 0 0 344.422 5.862 50 30 EKEARN O=C(/C=C/c1ccccc1)c1cccc(C(=O)/C=C\c2ccccc2)c1 ZINC000013402966 563697772 /nfs/dbraw/zinc/69/77/72/563697772.db2.gz KFLSRZNJOXWKIK-QUDUTFMFSA-N 0 0 338.406 5.479 50 30 EKEARN O=C(/C=C/c1ccccc1)c1cccc(C(=O)/C=C/c2ccccc2)c1 ZINC000013402971 258056129 /nfs/dbraw/zinc/05/61/29/258056129.db2.gz KFLSRZNJOXWKIK-YXLFCKQPSA-N 0 0 338.406 5.479 50 30 EKEARN Oc1ccc2ccccc2c1/C=N/c1ccc(Br)cc1 ZINC000013406305 564073951 /nfs/dbraw/zinc/07/39/51/564073951.db2.gz PXLPAZKKRLOYAO-YBFXNURJSA-N 0 0 326.193 5.059 50 30 EKEARN C=C1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4OC(C)=O)[C@@H]3CC[C@H]2C1 ZINC000013408613 564130114 /nfs/dbraw/zinc/13/01/14/564130114.db2.gz USISGGVIAQLXQF-KAKDVIIHSA-N 0 0 330.512 5.517 50 30 EKEARN C=C1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](OC(C)=O)CC[C@H]4[C@@H]3CC[C@H]2C1 ZINC000013408615 564130087 /nfs/dbraw/zinc/13/00/87/564130087.db2.gz USISGGVIAQLXQF-ZXYIWLIBSA-N 0 0 330.512 5.517 50 30 EKEARN C=C(C)C[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H]1CC ZINC000013451659 564073854 /nfs/dbraw/zinc/07/38/54/564073854.db2.gz SBRJFDJPIAPOCA-BJESRGMDSA-N 0 0 335.491 5.186 50 30 EKEARN C=C1SC(Nc2cccc(C(F)(F)F)c2)=NC12CCCCC2 ZINC000013464819 211561216 /nfs/dbraw/zinc/56/12/16/211561216.db2.gz LOHYEVBHNIGKCE-UHFFFAOYSA-N 0 0 326.387 5.246 50 30 EKEARN c1ccc(C/N=C2\S/C(=N/c3ccccc3)C3=C2CCCC3)cc1 ZINC000013465444 563698454 /nfs/dbraw/zinc/69/84/54/563698454.db2.gz IISKHTJHRXEASC-KEEJTVGESA-N 0 0 332.472 5.933 50 30 EKEARN Clc1ccc(C(=CC=Nc2ccccc2)Nc2ccccc2)cc1 ZINC000013466804 563698785 /nfs/dbraw/zinc/69/87/85/563698785.db2.gz TWVMXPVGCXFORD-YYRRSDCCSA-N 0 0 332.834 6.087 50 30 EKEARN C/C(=N\OC(=O)c1ccc(Cl)cc1)c1csc2ccccc12 ZINC000013467561 563698947 /nfs/dbraw/zinc/69/89/47/563698947.db2.gz FHYGEKLQVIXGEP-YBFXNURJSA-N 0 0 329.808 5.136 50 30 EKEARN CC1(C)/C(=N\OC(=O)c2cccc(C(F)(F)F)c2)[C@]2(C)CC[C@H]1C2 ZINC000013468002 211561557 /nfs/dbraw/zinc/56/15/57/211561557.db2.gz GVRAGWKCKYOGKM-RYEQQVHNSA-N 0 0 339.357 5.064 50 30 EKEARN Cc1ccc(SCCNC(=S)Nc2cc(C)cc(C)c2)cc1 ZINC000013468632 563699115 /nfs/dbraw/zinc/69/91/15/563699115.db2.gz KJRSIQBZXJNVCU-UHFFFAOYSA-N 0 0 330.522 5.102 50 30 EKEARN Cc1ccc(SCCNC(=S)Nc2cc(C)ccc2C)cc1 ZINC000013468668 211562993 /nfs/dbraw/zinc/56/29/93/211562993.db2.gz IIIQJAKHUZXUHB-UHFFFAOYSA-N 0 0 330.522 5.102 50 30 EKEARN Cc1ccc(SCCNC(=S)Nc2ccc(C)c(C)c2)cc1 ZINC000013468932 563699086 /nfs/dbraw/zinc/69/90/86/563699086.db2.gz VVCXXPKFDFOKPB-UHFFFAOYSA-N 0 0 330.522 5.102 50 30 EKEARN FC(F)Sc1ccc(NC(=S)NCC2CCCCC2)cc1 ZINC000013479157 211565775 /nfs/dbraw/zinc/56/57/75/211565775.db2.gz IVKRBBFDPMCWTE-UHFFFAOYSA-N 0 0 330.469 5.279 50 30 EKEARN C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000013479380 564111742 /nfs/dbraw/zinc/11/17/42/564111742.db2.gz ORCDWZCHRCYHIM-MFKMUULPSA-N 0 0 330.469 5.278 50 30 EKEARN C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000013479382 211566404 /nfs/dbraw/zinc/56/64/04/211566404.db2.gz ORCDWZCHRCYHIM-GWCFXTLKSA-N 0 0 330.469 5.278 50 30 EKEARN C[C@@H]1CCC[C@H](NC(=S)Nc2ccc(SC(F)F)cc2)[C@@H]1C ZINC000013479384 564111722 /nfs/dbraw/zinc/11/17/22/564111722.db2.gz NJNXEQZYMFOLLB-GYSYKLTISA-N 0 0 344.496 5.524 50 30 EKEARN CCCCc1ccc(NC(=S)NCCc2ccc(F)cc2)cc1 ZINC000013497599 258056251 /nfs/dbraw/zinc/05/62/51/258056251.db2.gz DYZYHIFBALBRLH-UHFFFAOYSA-N 0 0 330.472 5.109 50 30 EKEARN Cc1ccc(C)c(/N=C2\c3ccccc3-c3nc4ccccc4cc32)c1 ZINC000013511467 211569780 /nfs/dbraw/zinc/56/97/80/211569780.db2.gz YKGWWTVVWGHCGC-SHHOIMCASA-N 0 0 334.422 6.001 50 30 EKEARN Cc1cc2c(cc1C)/C(=N/C1CCCCC1)c1cc3ccccc3nc1-2 ZINC000013511793 563926662 /nfs/dbraw/zinc/92/66/62/563926662.db2.gz ZPZFSFCFBASIQK-BZZOAKBMSA-N 0 0 340.470 6.002 50 30 EKEARN CC[C@@H](C)c1ccc(NC(=S)NCc2ccccc2OC)cc1 ZINC000013519128 258056127 /nfs/dbraw/zinc/05/61/27/258056127.db2.gz AWFDIFHDCAUUKU-CQSZACIVSA-N 0 0 328.481 5.107 50 30 EKEARN CC[C@H](C)c1ccc(NC(=S)NCc2ccccc2OC)cc1 ZINC000013519133 258056126 /nfs/dbraw/zinc/05/61/26/258056126.db2.gz AWFDIFHDCAUUKU-AWEZNQCLSA-N 0 0 328.481 5.107 50 30 EKEARN Cc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 ZINC000013543862 211575649 /nfs/dbraw/zinc/57/56/49/211575649.db2.gz SLIIHRMQGFXOGC-UHFFFAOYSA-N 0 0 336.913 5.138 50 30 EKEARN Cc1cccc(NC(=S)NCCSc2ccc(Cl)cc2)c1 ZINC000013543864 563929804 /nfs/dbraw/zinc/92/98/04/563929804.db2.gz CYLUBSXCQOMIAQ-UHFFFAOYSA-N 0 0 336.913 5.138 50 30 EKEARN O=C1c2ccccc2S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013546317 258056132 /nfs/dbraw/zinc/05/61/32/258056132.db2.gz PWVVZRIQDQKKBX-WOJGMQOQSA-N 0 0 349.367 5.184 50 30 EKEARN O=C1SC(SCc2ccccc2)=N/C1=C\c1ccc(Cl)cc1 ZINC000013547047 258056125 /nfs/dbraw/zinc/05/61/25/258056125.db2.gz HLFVLGLFUUOHNQ-GDNBJRDFSA-N 0 0 345.876 5.244 50 30 EKEARN Cc1ccccc1CSC(=NC#N)Nc1cccc(C(F)(F)F)c1 ZINC000013563073 563701751 /nfs/dbraw/zinc/70/17/51/563701751.db2.gz QNGMEFRMEVWQMY-UHFFFAOYSA-N 0 0 349.381 5.196 50 30 EKEARN COc1c(Cl)cc(Cl)cc1/C=N/c1sc(C)c(C)c1C#N ZINC000013563737 563701760 /nfs/dbraw/zinc/70/17/60/563701760.db2.gz AQCYDHJHQGRGQX-FBCYGCLPSA-N 0 0 339.247 5.303 50 30 EKEARN COc1ccccc1/C=N/c1ccc2c(c1)ncn2C1CCCCC1 ZINC000013583298 563702875 /nfs/dbraw/zinc/70/28/75/563702875.db2.gz ZKYPZUOXHOKGTM-HYARGMPZSA-N 0 0 333.435 5.301 50 30 EKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1N1CCCCC1 ZINC000013590161 564089274 /nfs/dbraw/zinc/08/92/74/564089274.db2.gz CZKQZXXJRAAXKY-UHFFFAOYSA-N 0 0 339.442 5.278 50 30 EKEARN O=C1/C(=C/c2ccco2)CCC/C1=C\c1ccc(Br)cc1 ZINC000013597715 563703186 /nfs/dbraw/zinc/70/31/86/563703186.db2.gz IXYCGFKKOOHELJ-LCPPQYOVSA-N 0 0 343.220 5.262 50 30 EKEARN Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccccc1 ZINC000013601387 563703673 /nfs/dbraw/zinc/70/36/73/563703673.db2.gz SQOYNCWBIPYBTF-BUVRLJJBSA-N 0 0 325.415 5.393 50 30 EKEARN CN(C)c1ccc(/C=C2\Sc3ccc4ccccc4c3C2=O)cc1 ZINC000013602059 563703631 /nfs/dbraw/zinc/70/36/31/563703631.db2.gz UCYPLEUCHTVCNV-UYRXBGFRSA-N 0 0 331.440 5.235 50 30 EKEARN C(=N/c1ccccc1-c1nc2ccccc2[nH]1)\c1c[nH]c2ccccc12 ZINC000013608197 563703511 /nfs/dbraw/zinc/70/35/11/563703511.db2.gz RQYPLOHQQIADRR-ZVHZXABRSA-N 0 0 336.398 5.462 50 30 EKEARN O=C1c2ccccc2S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000013616152 563703948 /nfs/dbraw/zinc/70/39/48/563703948.db2.gz IJIJIDSSHGTWET-WOJGMQOQSA-N 0 0 349.367 5.184 50 30 EKEARN Cc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccc1 ZINC000013633454 563705180 /nfs/dbraw/zinc/70/51/80/563705180.db2.gz UMGIXOMWAYRSHK-LFVJCYFKSA-N 0 0 330.475 6.142 50 30 EKEARN Cc1cc(/C=N/c2ccc(C)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1 ZINC000013633456 563705080 /nfs/dbraw/zinc/70/50/80/563705080.db2.gz NLMCUUBZGIAOMG-FYJGNVAPSA-N 0 0 333.391 5.061 50 30 EKEARN Cc1ccc(/N=C2/C=C/C(=N/c3ccc(C)cc3)c3ccccc32)cc1 ZINC000013648492 201905366 /nfs/dbraw/zinc/90/53/66/201905366.db2.gz ZLQGCPSMAWEPCT-YPAXQUSRSA-N 0 0 336.438 6.115 50 30 EKEARN Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O ZINC000013653770 563931386 /nfs/dbraw/zinc/93/13/86/563931386.db2.gz WLWLOGRRDWUFRK-NDENLUEZSA-N 0 0 348.423 5.252 50 30 EKEARN Cc1c(Cl)cccc1NC(=S)N=NCc1ccccc1Cl ZINC000013658748 563707427 /nfs/dbraw/zinc/70/74/27/563707427.db2.gz KEWNEZBSRKUSKJ-GIJQJNRQSA-N 0 0 338.263 5.034 50 30 EKEARN C=CCc1cccc(CNc2nc3ccccc3n2CCCCC)c1O ZINC000013661278 536296650 /nfs/dbraw/zinc/29/66/50/536296650.db2.gz ZCKHMWBNXATSKZ-UHFFFAOYSA-N 0 0 349.478 5.273 50 30 EKEARN C[C@@H](NC(=S)Nc1ccc(OC(F)F)c(Cl)c1)C(C)(C)C ZINC000013684218 563710795 /nfs/dbraw/zinc/71/07/95/563710795.db2.gz QEUBFJDMZOZIHS-MRVPVSSYSA-N 0 0 336.835 5.074 50 30 EKEARN C[C@H](NC(=S)Nc1ccc(OC(F)F)c(Cl)c1)C(C)(C)C ZINC000013684222 201908886 /nfs/dbraw/zinc/90/88/86/201908886.db2.gz QEUBFJDMZOZIHS-QMMMGPOBSA-N 0 0 336.835 5.074 50 30 EKEARN COc1ccc(CNC(=S)Nc2ccccc2-c2ccccc2)cc1 ZINC000013685160 211610602 /nfs/dbraw/zinc/61/06/02/211610602.db2.gz TYLWMOUQZODSMI-UHFFFAOYSA-N 0 0 348.471 5.260 50 30 EKEARN COc1ccc(CNC(=S)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000013685325 563710793 /nfs/dbraw/zinc/71/07/93/563710793.db2.gz CJRCFEUZFXFSCT-UHFFFAOYSA-N 0 0 348.471 5.260 50 30 EKEARN CC[C@@H](C)c1ccc([C@@H](C)NC(=S)NCc2ccc(F)cc2)cc1 ZINC000013751796 564112005 /nfs/dbraw/zinc/11/20/05/564112005.db2.gz MLLCULQTRUENTM-HUUCEWRRSA-N 0 0 344.499 5.476 50 30 EKEARN CC[C@H](C)c1ccc([C@@H](C)NC(=S)NCc2ccc(F)cc2)cc1 ZINC000013751798 564112014 /nfs/dbraw/zinc/11/20/14/564112014.db2.gz MLLCULQTRUENTM-LSDHHAIUSA-N 0 0 344.499 5.476 50 30 EKEARN Cc1ccc(-c2csc(N=NC(C)c3ccc(Cl)cc3)n2)cc1 ZINC000013756900 563721513 /nfs/dbraw/zinc/72/15/13/563721513.db2.gz WEDPZNVBMHUUOZ-FYJGNVAPSA-N 0 0 341.867 5.608 50 30 EKEARN Cc1ccsc1/C=C1\Oc2cc(OCc3ccccc3)ccc2C1=O ZINC000013758494 563932771 /nfs/dbraw/zinc/93/27/71/563932771.db2.gz ZSIAJKYULFIPTJ-UNOMPAQXSA-N 0 0 348.423 5.252 50 30 EKEARN CC(C)[C@]1(C)CC[C@H](C)/C(=C\c2cccc(Cl)c2Cl)C1=O ZINC000013764367 563932810 /nfs/dbraw/zinc/93/28/10/563932810.db2.gz GGHFMFVEFSJANJ-AGSYNLEESA-N 0 0 325.279 6.038 50 30 EKEARN Clc1ccccc1/C=N/c1ccccc1-c1nc2ccccc2[nH]1 ZINC000013773667 563722545 /nfs/dbraw/zinc/72/25/45/563722545.db2.gz LDLQSZWIGAGTKL-LPYMAVHISA-N 0 0 331.806 5.634 50 30 EKEARN CC[C@@H](NC(=S)NCc1ccc(F)cc1)c1ccc(C(C)C)cc1 ZINC000013774624 258056316 /nfs/dbraw/zinc/05/63/16/258056316.db2.gz IDTQCNLPWMYNNQ-LJQANCHMSA-N 0 0 344.499 5.476 50 30 EKEARN CC[C@H](NC(=S)NCc1ccc(F)cc1)c1ccc(C(C)C)cc1 ZINC000013774626 258056379 /nfs/dbraw/zinc/05/63/79/258056379.db2.gz IDTQCNLPWMYNNQ-IBGZPJMESA-N 0 0 344.499 5.476 50 30 EKEARN Cc1ccc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)o1 ZINC000013787300 563723693 /nfs/dbraw/zinc/72/36/93/563723693.db2.gz CXDPSGLTZGKPHY-MTJSOVHGSA-N 0 0 346.382 5.092 50 30 EKEARN N#C[C@H](c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000013801219 563723732 /nfs/dbraw/zinc/72/37/32/563723732.db2.gz SRQRABGFISPHTD-DHIUTWEWSA-N 0 0 337.426 5.103 50 30 EKEARN COc1ccccc1/C=C1\CC(C)C/C(=C/c2ccccc2OC)C1=O ZINC000013805259 564112109 /nfs/dbraw/zinc/11/21/09/564112109.db2.gz NQYKRTOCIWKIQP-FANOUHKGSA-N 0 0 348.442 5.170 50 30 EKEARN FC(F)(F)c1ccccc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000013897971 211655127 /nfs/dbraw/zinc/65/51/27/211655127.db2.gz HLLIJGAEGDAOMP-UFFVCSGVSA-N 0 0 347.365 5.275 50 30 EKEARN O=C1Nc2ccccc2/C1=N\c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000013902701 564112126 /nfs/dbraw/zinc/11/21/26/564112126.db2.gz NUSPNPIHJDIDIA-UHFFFAOYSA-N 0 0 348.789 5.205 50 30 EKEARN CC(C)c1ccc([C@@H](C)NC(=S)NCc2ccc(F)cc2)cc1 ZINC000013931932 519839062 /nfs/dbraw/zinc/83/90/62/519839062.db2.gz GESPEPJVFKAUSI-CQSZACIVSA-N 0 0 330.472 5.086 50 30 EKEARN CC(C)c1ccc([C@H](C)NC(=S)NCc2ccc(F)cc2)cc1 ZINC000013931933 519839682 /nfs/dbraw/zinc/83/96/82/519839682.db2.gz GESPEPJVFKAUSI-AWEZNQCLSA-N 0 0 330.472 5.086 50 30 EKEARN C(=N/n1c2ccccc2c2ccccc21)\c1cnc(-c2ccccc2)nc1 ZINC000013957154 563733168 /nfs/dbraw/zinc/73/31/68/563733168.db2.gz MFRJXNYZZDEBHE-WGOQTCKBSA-N 0 0 348.409 5.134 50 30 EKEARN O=C(/C=C/c1ccc(OC(F)F)cc1)CC12CC3CC(CC(C3)C1)C2 ZINC000013960093 527616727 /nfs/dbraw/zinc/61/67/27/527616727.db2.gz GAKHUAWVMQGYDX-DAFODLJHSA-N 0 0 346.417 5.477 50 30 EKEARN N#Cc1c(SCc2ccccc2F)noc1-c1cccc(Cl)c1 ZINC000013984308 563980666 /nfs/dbraw/zinc/98/06/66/563980666.db2.gz QBIGWGOFTVCCMG-UHFFFAOYSA-N 0 0 344.798 5.298 50 30 EKEARN Cc1ccccc1CSc1noc(-c2cccc(Cl)c2)c1C#N ZINC000013984312 563980634 /nfs/dbraw/zinc/98/06/34/563980634.db2.gz KMUZXTFSDQLQDV-UHFFFAOYSA-N 0 0 340.835 5.467 50 30 EKEARN CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O ZINC000014232715 564087279 /nfs/dbraw/zinc/08/72/79/564087279.db2.gz UAUDZVJPLUQNMU-KTKRTIGZSA-N 0 0 337.592 7.070 50 30 in-vitro EKEARN FC(F)(F)c1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000014257467 527681343 /nfs/dbraw/zinc/68/13/43/527681343.db2.gz NVHRNHCGUCGVLA-UFFVCSGVSA-N 0 0 347.365 5.275 50 30 EKEARN CCc1ccc(C(C)N=Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000014257489 523869622 /nfs/dbraw/zinc/86/96/22/523869622.db2.gz RSQIEOMXYIHIIS-PXLXIMEGSA-N 0 0 335.476 5.517 50 30 EKEARN CCCCSC1=C(SCCCC)C(=O)c2ccccc2C1=O ZINC000014628738 563761999 /nfs/dbraw/zinc/76/19/99/563761999.db2.gz KZJVVMVXUXJHOY-UHFFFAOYSA-N 0 0 334.506 5.344 50 30 EKEARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc(C)c(C)c1 ZINC000014671496 211751899 /nfs/dbraw/zinc/75/18/99/211751899.db2.gz JVPUPZIASDZQPL-HIXSDJFHSA-N 0 0 344.458 5.275 50 30 EKEARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1cc(C)cc(C)c1 ZINC000014671497 211751469 /nfs/dbraw/zinc/75/14/69/211751469.db2.gz GMVSVXPTTPWAEJ-HIXSDJFHSA-N 0 0 344.458 5.275 50 30 EKEARN Cc1cccc(/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000014922972 564033207 /nfs/dbraw/zinc/03/32/07/564033207.db2.gz BZIJDICPDDOUAP-JAIQZWGSSA-N 0 0 340.766 5.567 50 30 EKEARN C=CCOc1cccc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)c1 ZINC000015018283 564074269 /nfs/dbraw/zinc/07/42/69/564074269.db2.gz GBHFCOKTTPVCEJ-NYVOZVTQSA-N 0 0 335.447 5.194 50 30 EKEARN C=CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2C1CCCCC1 ZINC000015019320 211789313 /nfs/dbraw/zinc/78/93/13/211789313.db2.gz LSCIZAIUAPLDPZ-UHFFFAOYSA-N 0 0 341.451 5.196 50 30 EKEARN [N-]=[N+]=Nc1cc([N+](=O)[O-])cc2sc(-c3ccccc3)c(Cl)c21 ZINC000015084465 201951554 /nfs/dbraw/zinc/95/15/54/201951554.db2.gz WAQYAPHCNLXTMX-UHFFFAOYSA-N 0 0 330.756 6.072 50 30 EKEARN Cc1cc(/C=N\OCc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000015218321 526098243 /nfs/dbraw/zinc/09/82/43/526098243.db2.gz WURTYIBIKWBXER-XKZIYDEJSA-N 0 0 338.838 5.298 50 30 EKEARN Cc1cc(/C=N/c2ccc(Cl)cc2O)c(C)n1-c1cccc(C)c1 ZINC000015223741 563780464 /nfs/dbraw/zinc/78/04/64/563780464.db2.gz AQOLMURNAIUBOO-WSDLNYQXSA-N 0 0 338.838 5.512 50 30 EKEARN Cc1cc(C)c(C2(C)CC(/C(=N\O)c3cc4ccccc4o3)C2)c(C)c1 ZINC000015230122 563780398 /nfs/dbraw/zinc/78/03/98/563780398.db2.gz ZAHJQPRUYZZMSG-ZNTNEXAZSA-N 0 0 347.458 5.904 50 30 EKEARN CC(=N\c1cccc2ccccc21)/C(C)=N/c1cccc2ccccc21 ZINC000015230321 563780304 /nfs/dbraw/zinc/78/03/04/563780304.db2.gz BOBLHEBXJSYADL-RPCRKUJJSA-N 0 0 336.438 6.878 50 30 EKEARN Cc1cccc(C)c1/N=C/c1ccc(/C=N/c2c(C)cccc2C)cc1 ZINC000015230331 211809643 /nfs/dbraw/zinc/80/96/43/211809643.db2.gz KKFWWNABPZEQOR-RYQLWAFASA-N 0 0 340.470 6.421 50 30 EKEARN CC(C)c1ccc(/C=C2\Sc3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000015276545 563780762 /nfs/dbraw/zinc/78/07/62/563780762.db2.gz FHJGEYBZQQDZPN-YVLHZVERSA-N 0 0 325.389 5.048 50 30 EKEARN C/C(=N\N=C(\C)c1cccc2ccccc21)c1cccc2ccccc21 ZINC000015635781 201959065 /nfs/dbraw/zinc/95/90/65/201959065.db2.gz PCMMCSZMSVAZSC-WTHRLWDASA-N 0 0 336.438 6.226 50 30 EKEARN O=C1/C(=C/c2ccco2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000015774286 563792157 /nfs/dbraw/zinc/79/21/57/563792157.db2.gz KOFGKLPEEQNMBI-PTPABZONSA-N 0 0 346.411 5.088 50 30 EKEARN O=C(C=CNc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000015774361 563792164 /nfs/dbraw/zinc/79/21/64/563792164.db2.gz CVEFMJFNNJHMIX-BQYQJAHWSA-N 0 0 326.610 5.455 50 30 EKEARN C=C(C)Cn1c2ccccc2nc1SCCOc1ccccc1C ZINC000015833296 518641119 /nfs/dbraw/zinc/64/11/19/518641119.db2.gz WRJQVKCFIFGBHV-UHFFFAOYSA-N 0 0 338.476 5.092 50 30 EKEARN C=CCn1c2ccccc2nc1SCCOc1ccccc1Cl ZINC000015833332 519268972 /nfs/dbraw/zinc/26/89/72/519268972.db2.gz QLQROAJXGMOSBD-UHFFFAOYSA-N 0 0 344.867 5.047 50 30 EKEARN C=C(C)Cn1c2ccccc2nc1SCCOc1cccc(C)c1 ZINC000015833345 518640452 /nfs/dbraw/zinc/64/04/52/518640452.db2.gz OSHAAETWYBLNCB-UHFFFAOYSA-N 0 0 338.476 5.092 50 30 EKEARN C=CCn1c2ccccc2nc1SCCOc1ccc(Cl)cc1 ZINC000015833404 519269692 /nfs/dbraw/zinc/26/96/92/519269692.db2.gz VHBYYNHVIYZBMQ-UHFFFAOYSA-N 0 0 344.867 5.047 50 30 EKEARN C=CCn1c2ccccc2nc1SCCOc1ccc(C)c(C)c1 ZINC000015833410 519268820 /nfs/dbraw/zinc/26/88/20/519268820.db2.gz SEVOBSLFKCZJSZ-UHFFFAOYSA-N 0 0 338.476 5.010 50 30 EKEARN C=CCn1c2ccccc2nc1SCCOc1ccc(C)cc1C ZINC000015833413 519268631 /nfs/dbraw/zinc/26/86/31/519268631.db2.gz MYDPKFIZOUFFJX-UHFFFAOYSA-N 0 0 338.476 5.010 50 30 EKEARN CSc1sc(-c2cc[nH]c(=S)n2)c(-c2ccccc2)c1C#N ZINC000015919737 211868690 /nfs/dbraw/zinc/86/86/90/211868690.db2.gz BTUZMHNFPBGZFW-UHFFFAOYSA-N 0 0 341.486 5.128 50 30 EKEARN COc1ccc(CSC(=NC(C)(C)C)Nc2ccccc2)cc1 ZINC000015931823 563800387 /nfs/dbraw/zinc/80/03/87/563800387.db2.gz CTYLGCXWYULTBU-UHFFFAOYSA-N 0 0 328.481 5.004 50 30 EKEARN Cc1ccc2c(c1)/C(=N/C1CCCCC1)c1cc3ccccc3nc1-2 ZINC000015979623 563801522 /nfs/dbraw/zinc/80/15/22/563801522.db2.gz VXAWNYJOYYDGBG-VHXPQNKSSA-N 0 0 326.443 5.694 50 30 EKEARN CCCn1c2ccccc2nc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000015979782 211873294 /nfs/dbraw/zinc/87/32/94/211873294.db2.gz LXSKVAHDIGSDMN-UHFFFAOYSA-N 0 0 347.340 5.101 50 30 EKEARN Cc1ccc2c(c1)-c1nc3ccccc3cc1/C2=N\C1CCCCC1 ZINC000015989467 563801556 /nfs/dbraw/zinc/80/15/56/563801556.db2.gz YFJHKTJYZYSPQI-GYHWCHFESA-N 0 0 326.443 5.694 50 30 EKEARN CCN1c2ccccc2N(c2ccccc2)/C1=C\C=N\c1ccccc1 ZINC000016102008 563803647 /nfs/dbraw/zinc/80/36/47/563803647.db2.gz QECRDNRKWBIEHL-QFFDILLMSA-N 0 0 339.442 5.909 50 30 EKEARN C/C(=N\N(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000016102071 563803644 /nfs/dbraw/zinc/80/36/44/563803644.db2.gz BNYMNZDKRAMIQP-LTGZKZEYSA-N 0 0 331.375 5.157 50 30 EKEARN C/C(=N\N(Cc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000016102090 563803653 /nfs/dbraw/zinc/80/36/53/563803653.db2.gz UXVXHBKLSJFXAA-OQKWZONESA-N 0 0 345.402 5.026 50 30 EKEARN Cc1n[nH]c(C)c1Sc1ccccc1/N=C/C=C/c1ccccc1 ZINC000016102510 563803597 /nfs/dbraw/zinc/80/35/97/563803597.db2.gz MBQPXFGNXXPHIA-DYTMQZIQSA-N 0 0 333.460 5.593 50 30 EKEARN C=CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(Cl)cc1 ZINC000016134010 211887318 /nfs/dbraw/zinc/88/73/18/211887318.db2.gz SEASQOUBARUBJW-VZCXRCSSSA-N 0 0 340.879 5.597 50 30 EKEARN O=C1c2ccccc2S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000016134351 211887372 /nfs/dbraw/zinc/88/73/72/211887372.db2.gz GQYZOJWGABEMDC-WOJGMQOQSA-N 0 0 338.815 5.930 50 30 EKEARN COc1ccc(/C=N/c2ccccc2/N=C/c2ccc(OC)cc2)cc1 ZINC000016215982 563806026 /nfs/dbraw/zinc/80/60/26/563806026.db2.gz SVSRDHJKVMHAOQ-DFEHQXHXSA-N 0 0 344.414 5.205 50 30 EKEARN COc1cccc(/C=C2\C[C@@H](C)C/C(=C\c3ccccc3OC)C2=O)c1 ZINC000016247030 211890521 /nfs/dbraw/zinc/89/05/21/211890521.db2.gz SIBYDWLFNHFQAD-GTFSHEMOSA-N 0 0 348.442 5.170 50 30 EKEARN COc1cccc(/C=C2\C[C@H](C)C/C(=C\c3ccccc3OC)C2=O)c1 ZINC000016247032 211891246 /nfs/dbraw/zinc/89/12/46/211891246.db2.gz SIBYDWLFNHFQAD-VXSPDCLGSA-N 0 0 348.442 5.170 50 30 EKEARN Cc1ccc(/N=C(/Nc2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016292635 201974422 /nfs/dbraw/zinc/97/44/22/201974422.db2.gz JOVAFFUERFSCNX-UHFFFAOYSA-N 0 0 345.402 5.402 50 30 EKEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccco1)c1cccs1 ZINC000016319409 201974600 /nfs/dbraw/zinc/97/46/00/201974600.db2.gz OTZQAQUEXNTPOP-KHPPLWFESA-N 0 0 346.411 5.090 50 30 EKEARN COc1cccc(Oc2ccc(NC=CC(=O)C(C)(C)C)cc2)c1 ZINC000016322672 526241038 /nfs/dbraw/zinc/24/10/38/526241038.db2.gz MUFLENFFAQVIHF-OUKQBFOZSA-N 0 0 325.408 5.028 50 30 aggregator EKEARN COc1ccccc1Oc1ccc(NC=CC(=O)C(C)(C)C)cc1 ZINC000016322676 257857520 /nfs/dbraw/zinc/85/75/20/257857520.db2.gz CIYFZKPVVOSSIT-BUHFOSPRSA-N 0 0 325.408 5.028 50 30 EKEARN O=C(O/N=C(/c1cc2ccccc2o1)c1ccccc1)c1ccccc1 ZINC000016450763 526412454 /nfs/dbraw/zinc/41/24/54/526412454.db2.gz AJEMUDQXNZKYLP-XTQSDGFTSA-N 0 0 341.366 5.042 50 30 EKEARN CCCCSc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1 ZINC000016639405 520976467 /nfs/dbraw/zinc/97/64/67/520976467.db2.gz IQDYJSJJIDHULK-UZYVYHOESA-N 0 0 337.444 5.338 50 30 EKEARN CC(=C\c1ccccc1)/C=C1\S/C(=N/c2ccc(C)cc2C)NC1=O ZINC000016661531 563819717 /nfs/dbraw/zinc/81/97/17/563819717.db2.gz PDFYMQPBFCWICH-JGEPBQDUSA-N 0 0 348.471 5.141 50 30 EKEARN Cc1ccc(/C=C2/S/C(=N/c3ccc4ccccc4c3)NC2=O)cc1 ZINC000016662579 563819703 /nfs/dbraw/zinc/81/97/03/563819703.db2.gz STMONKONLHGOSP-XDHOZWIPSA-N 0 0 344.439 5.040 50 30 EKEARN O=C1c2c(ccc3ccccc23)S/C1=C\c1ccccc1[N+](=O)[O-] ZINC000016676159 564177028 /nfs/dbraw/zinc/17/70/28/564177028.db2.gz LFRZIRQRGALBEI-BOPFTXTBSA-N 0 0 333.368 5.078 50 30 EKEARN CCCOc1ccc(NC(C)=CC(=O)c2ccc(Cl)cc2)cc1 ZINC000016678262 520384252 /nfs/dbraw/zinc/38/42/52/520384252.db2.gz UKQGYBDBAUEVFE-BUHFOSPRSA-N 0 0 329.827 5.327 50 30 EKEARN Cc1ccc(/N=C2/c3ccccc3/C(=N/c3ccc(C)cc3)N2C)cc1 ZINC000016739217 564113003 /nfs/dbraw/zinc/11/30/03/564113003.db2.gz WCAMDLITABAIDT-HKOLQMFGSA-N 0 0 339.442 5.405 50 30 EKEARN Fc1cccc(Cl)c1CN=Nc1nc(-c2ccccc2)cs1 ZINC000016777133 564113153 /nfs/dbraw/zinc/11/31/53/564113153.db2.gz CYEHAMPXQZRAII-OCKHKDLRSA-N 0 0 331.803 5.049 50 30 EKEARN C=CCn1c(-c2ccc(C)cc2)cs/c1=N\c1c(C)cc(C)cc1C ZINC000016804909 564074464 /nfs/dbraw/zinc/07/44/64/564074464.db2.gz HROOVTWJIXXTMC-FCQUAONHSA-N 0 0 348.515 5.869 50 30 EKEARN C=CCSc1nc(-c2ccccc2)nc(C)c1Cc1ccccc1 ZINC000016808410 564113545 /nfs/dbraw/zinc/11/35/45/564113545.db2.gz AYNSAVJNTVACLQ-UHFFFAOYSA-N 0 0 332.472 5.321 50 30 EKEARN N#Cc1cnc2ccc(Cl)cc2c1Nc1cccc(C(F)(F)F)c1 ZINC000016840717 564113777 /nfs/dbraw/zinc/11/37/77/564113777.db2.gz LZTIWAWMCONRLY-UHFFFAOYSA-N 0 0 347.727 5.522 50 30 EKEARN CCOc1ccc2ncc(C#N)c(Nc3ccc(C(C)C)cc3)c2c1 ZINC000016840760 564113766 /nfs/dbraw/zinc/11/37/66/564113766.db2.gz AVVHOWHLPKJQNH-UHFFFAOYSA-N 0 0 331.419 5.372 50 30 EKEARN CCc1ccc2ncc(C#N)c(Nc3ccc(OC)c(Cl)c3)c2c1 ZINC000016841773 564113811 /nfs/dbraw/zinc/11/38/11/564113811.db2.gz ICVJXNWXOYJDKP-UHFFFAOYSA-N 0 0 337.810 5.074 50 30 EKEARN C=CCc1ccc(O[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)c(OC)c1 ZINC000016903946 519140625 /nfs/dbraw/zinc/14/06/25/519140625.db2.gz SYRXUHNDEQUDST-LBPRGKRZSA-N 0 0 342.826 5.093 50 30 EKEARN C=CCc1ccc(O[C@H](C)c2nc3cc(Cl)ccc3[nH]2)c(OC)c1 ZINC000016903948 519141276 /nfs/dbraw/zinc/14/12/76/519141276.db2.gz SYRXUHNDEQUDST-GFCCVEGCSA-N 0 0 342.826 5.093 50 30 EKEARN CC1(C)CC(=O)C=C(NN=c2[nH]c(-c3ccc(Cl)cc3)cs2)C1 ZINC000016949775 520287617 /nfs/dbraw/zinc/28/76/17/520287617.db2.gz XOLJWKFKVKIUER-MOSHPQCFSA-N 0 0 347.871 5.493 50 30 EKEARN CC(C)(C)c1cc(C(=O)/C=C/c2ccccc2)cc(C(C)(C)C)c1O ZINC000016957355 211943667 /nfs/dbraw/zinc/94/36/67/211943667.db2.gz XLMFMSKKAMNUAE-OUKQBFOZSA-N 0 0 336.475 5.883 50 30 EKEARN Cc1ccc(C23C[C@H]4C[C@H](CC(C/N=C/c5cccs5)(C4)C2)C3)cc1 ZINC000017041177 563829765 /nfs/dbraw/zinc/82/97/65/563829765.db2.gz KPTAPSCVHQTHLI-LIXHNCIOSA-N 0 0 349.543 6.014 50 30 EKEARN Cc1ccc(-c2csc(C(C#N)=NNc3cccc(C)c3C)n2)cc1 ZINC000017051815 563830213 /nfs/dbraw/zinc/83/02/13/563830213.db2.gz ZEFFODBWYMZVIO-MOHJPFBDSA-N 0 0 346.459 5.075 50 30 EKEARN Cc1cccc(/N=C/c2ccc(/C=N/c3cccc(C)c3C)cc2)c1C ZINC000017060295 564076152 /nfs/dbraw/zinc/07/61/52/564076152.db2.gz VNUXQPNTIPOTQL-RYQLWAFASA-N 0 0 340.470 6.421 50 30 EKEARN Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C)cc3C)cc2)c(C)c1 ZINC000017060298 211947893 /nfs/dbraw/zinc/94/78/93/211947893.db2.gz RZYLWUCCDNTQAQ-RYQLWAFASA-N 0 0 340.470 6.421 50 30 EKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccccc4O)cc3)sc2c1 ZINC000017062597 564074420 /nfs/dbraw/zinc/07/44/20/564074420.db2.gz NDTLSVIHPFXUNH-LPYMAVHISA-N 0 0 344.439 5.728 50 30 EKEARN CCOc1ccccc1/N=C/c1c2ccccc2cc2ccccc21 ZINC000017110218 564076145 /nfs/dbraw/zinc/07/61/45/564076145.db2.gz ZSFUUFJQEOHQFO-LFVJCYFKSA-N 0 0 325.411 6.142 50 30 EKEARN Cn1c2ccccc2c2cc(/C=C3\CCc4ccccc4C3=O)ccc21 ZINC000017118340 258056665 /nfs/dbraw/zinc/05/66/65/258056665.db2.gz SNJLKRWHUXYTJF-NBVRZTHBSA-N 0 0 337.422 5.544 50 30 EKEARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1Cl ZINC000017124127 563837620 /nfs/dbraw/zinc/83/76/20/563837620.db2.gz CIYWUXAMRRNGJG-NTCAYCPXSA-N 0 0 348.829 5.815 50 30 EKEARN C=CCSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 ZINC000017125642 563837718 /nfs/dbraw/zinc/83/77/18/563837718.db2.gz ZWPBLWYDADPJLU-WOJGMQOQSA-N 0 0 326.446 5.031 50 30 EKEARN CC(C)CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 ZINC000017125647 563837703 /nfs/dbraw/zinc/83/77/03/563837703.db2.gz JZPGURKWXUBQLP-VXLYETTFSA-N 0 0 342.489 5.501 50 30 EKEARN Oc1ccccc1/C=N/c1ccc2c(ccc3c4ccccc4ccc23)c1 ZINC000017128903 563837682 /nfs/dbraw/zinc/83/76/82/563837682.db2.gz KAPIDDRGFDXDOV-WGOQTCKBSA-N 0 0 347.417 6.602 50 30 EKEARN Cc1ccc(-c2csc(N=NC(C)c3ccc4c(c3)CCC4)n2)cc1 ZINC000017143516 258056696 /nfs/dbraw/zinc/05/66/96/258056696.db2.gz CIEQTVXCUXGIQZ-HZHRSRAPSA-N 0 0 347.487 5.443 50 30 EKEARN Cc1ccc(Nc2ccc3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000017159526 563839101 /nfs/dbraw/zinc/83/91/01/563839101.db2.gz XZHGCZCHFHQSKR-CJLVFECKSA-N 0 0 326.355 5.143 50 30 EKEARN C=CCN(CC=C)c1ccc(/C=C\c2ccnc3ccccc23)cc1 ZINC000017161638 564116578 /nfs/dbraw/zinc/11/65/78/564116578.db2.gz HTEBVNDPDZKFIX-XFXZXTDPSA-N 0 0 326.443 5.584 50 30 EKEARN Cc1ccccc1NC1=NC(=S)N(c2ccccc2)C12CCCCC2 ZINC000017186315 201987941 /nfs/dbraw/zinc/98/79/41/201987941.db2.gz BQJFIJOJSBIPJK-UHFFFAOYSA-N 0 0 349.503 5.534 50 30 EKEARN O=C(/C=C1/Sc2ccccc2N1Cc1ccccc1)c1ccco1 ZINC000017201442 563840648 /nfs/dbraw/zinc/84/06/48/563840648.db2.gz GMPZBJTZADOUKG-DEDYPNTBSA-N 0 0 333.412 5.116 50 30 EKEARN Cc1ccc2oc(-c3cccc(/N=C\c4ccccc4O)c3)nc2c1 ZINC000017206835 563840601 /nfs/dbraw/zinc/84/06/01/563840601.db2.gz FDQQYKWULSCDCV-XKZIYDEJSA-N 0 0 328.371 5.259 50 30 EKEARN CCOc1ccc(/N=C2/c3ccccc3C(=O)[C@@H]2c2ccccc2)cc1 ZINC000017241908 563841320 /nfs/dbraw/zinc/84/13/20/563841320.db2.gz FFEXGEDNJDCTGM-KKPVDXMRSA-N 0 0 341.410 5.186 50 30 EKEARN CCOc1ccc(/N=C2/c3ccccc3C(=O)[C@H]2c2ccccc2)cc1 ZINC000017241911 563841310 /nfs/dbraw/zinc/84/13/10/563841310.db2.gz FFEXGEDNJDCTGM-INZAYJCZSA-N 0 0 341.410 5.186 50 30 EKEARN O=C(Nc1cccc(Cl)c1)N1CCC/C1=N\c1ccc(Cl)cc1 ZINC000017241962 211961723 /nfs/dbraw/zinc/96/17/23/211961723.db2.gz HBHFELIMXGGCBL-CAPFRKAQSA-N 0 0 348.233 5.351 50 30 EKEARN CC(/C=C/c1ccccc1)=N/OC(=O)c1ccc(Cl)cc1Cl ZINC000017242841 563841402 /nfs/dbraw/zinc/84/14/02/563841402.db2.gz DXKCUSNXWLTQSZ-VOGWKXNRSA-N 0 0 334.202 5.240 50 30 EKEARN CCc1ccc(/N=C2\c3ccccc3-c3ccc([N+](=O)[O-])cc32)cc1 ZINC000017284597 564076133 /nfs/dbraw/zinc/07/61/33/564076133.db2.gz FRPKQMMWQYKMQP-QURGRASLSA-N 0 0 328.371 5.307 50 30 EKEARN O=C(/C=C\c1c(F)cccc1Cl)c1ccc(Br)cc1 ZINC000017299787 211963199 /nfs/dbraw/zinc/96/31/99/211963199.db2.gz PMHCDJXDHLAVEC-HJWRWDBZSA-N 0 0 339.591 5.138 50 30 EKEARN CCOc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 ZINC000017315662 211964991 /nfs/dbraw/zinc/96/49/91/211964991.db2.gz WXQDMBWDCPSXOH-UHFFFAOYSA-N 0 0 341.773 5.041 50 30 EKEARN N#Cc1cc2c(nc1SCc1cccc(Cl)c1)CCCCC2 ZINC000017440244 564120304 /nfs/dbraw/zinc/12/03/04/564120304.db2.gz PCMKUYBVBRABFX-UHFFFAOYSA-N 0 0 328.868 5.168 50 30 EKEARN CCCCCCCCCCCCN1C(=O)CS[C@@H]1c1cccnc1 ZINC000017545280 563844777 /nfs/dbraw/zinc/84/47/77/563844777.db2.gz XYDCLHVPLLAJCF-HXUWFJFHSA-N 0 0 348.556 5.577 50 30 EKEARN CCCCCCCCCCCCN1C(=O)CS[C@H]1c1cccnc1 ZINC000017545283 563844739 /nfs/dbraw/zinc/84/47/39/563844739.db2.gz XYDCLHVPLLAJCF-FQEVSTJZSA-N 0 0 348.556 5.577 50 30 EKEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@H](C)O ZINC000017654112 564076135 /nfs/dbraw/zinc/07/61/35/564076135.db2.gz FKOKUHFZNIUSLW-FQEVSTJZSA-N 0 0 342.564 6.172 50 30 endogenous,in-man EKEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(F)cc1 ZINC000017729779 564130264 /nfs/dbraw/zinc/13/02/64/564130264.db2.gz JNDAODAPMCHYCC-UHFFFAOYSA-N 0 0 344.393 5.113 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2C=Cc1ccccc1 ZINC000017751881 563845498 /nfs/dbraw/zinc/84/54/98/563845498.db2.gz ULEUBMBYHWIWGB-HYSAVQALSA-N 0 0 344.458 5.249 50 30 EKEARN O=C1CCCCC1=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000017778069 563845484 /nfs/dbraw/zinc/84/54/84/563845484.db2.gz OGVBXDNVGPIXMG-HJWRWDBZSA-N 0 0 337.263 5.163 50 30 EKEARN O=C1CCCCC1=CNc1ccc(Oc2ccccc2Cl)cc1 ZINC000017783534 563845464 /nfs/dbraw/zinc/84/54/64/563845464.db2.gz VNDWEYZVIFDKSQ-YPKPFQOOSA-N 0 0 327.811 5.571 50 30 EKEARN CCC(=CC(=O)c1ccccc1)Nc1ccc(Br)cc1 ZINC000017972041 563846756 /nfs/dbraw/zinc/84/67/56/563846756.db2.gz DKBYZZQCTBILSZ-NTCAYCPXSA-N 0 0 330.225 5.038 50 30 EKEARN Cc1cc(C)cc(/N=C/c2ccc(/C=N/c3cc(C)cc(C)c3)cc2)c1 ZINC000017992128 564117925 /nfs/dbraw/zinc/11/79/25/564117925.db2.gz VVEYLYLOEXZSFK-RYQLWAFASA-N 0 0 340.470 6.421 50 30 EKEARN Oc1ccc2ccccc2c1[C@H](/N=C/c1ccccc1)c1ccccc1 ZINC000018022480 563847479 /nfs/dbraw/zinc/84/74/79/563847479.db2.gz IBKFPODMQLEYRC-MQHZAWOVSA-N 0 0 337.422 5.754 50 30 EKEARN O=[N+]([O-])c1ccc(-c2ccc(/C=[NH+]/[C@H]3C[C@@H]3c3ccccc3)cc2)cc1 ZINC000018056951 564017839 /nfs/dbraw/zinc/01/78/39/564017839.db2.gz MHVRYHFVOKXUDT-WCQUILQHSA-N 0 0 342.398 5.237 50 30 EKEARN C=CCn1c2ccccc2nc1/N=C/c1ccc(OCCC(C)C)cc1 ZINC000018060921 564017834 /nfs/dbraw/zinc/01/78/34/564017834.db2.gz ITUHYLAJPVZDLA-XQNSMLJCSA-N 0 0 347.462 5.398 50 30 EKEARN CCN(CC)c1ccc(/C=N/c2ccc(Br)cc2)cc1 ZINC000018062025 563847440 /nfs/dbraw/zinc/84/74/40/563847440.db2.gz YWMVXLSSSKJXMI-CPNJWEJPSA-N 0 0 331.257 5.046 50 30 EKEARN C[C@@H](/N=C\c1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000018066025 563847788 /nfs/dbraw/zinc/84/77/88/563847788.db2.gz IRTLACODQRXYTJ-XCXGMHGSSA-N 0 0 336.306 6.017 50 30 EKEARN Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C)cc3O)cc2)c(O)c1 ZINC000018067366 563847954 /nfs/dbraw/zinc/84/79/54/563847954.db2.gz RJLOCNPQZKBGPG-RNIAWFEPSA-N 0 0 344.414 5.216 50 30 EKEARN Oc1ccc2ccccc2c1/C=N/c1ccc(OC(F)(F)F)cc1 ZINC000018068417 563847815 /nfs/dbraw/zinc/84/78/15/563847815.db2.gz HRPVOJPKIYBZRQ-SSDVNMTOSA-N 0 0 331.293 5.195 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2C=Cc1ccccc1 ZINC000018089044 563848186 /nfs/dbraw/zinc/84/81/86/563848186.db2.gz ULEUBMBYHWIWGB-JXOMPUQVSA-N 0 0 344.458 5.249 50 30 EKEARN COc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2OC)cc1 ZINC000018090954 524328467 /nfs/dbraw/zinc/32/84/67/524328467.db2.gz OEGWMDQYYLHJLF-DFEHQXHXSA-N 0 0 344.414 5.205 50 30 EKEARN COc1ccc(/N=C/c2ccc(/C=N/c3ccc(OC)cc3)cc2)cc1 ZINC000018130691 563849032 /nfs/dbraw/zinc/84/90/32/563849032.db2.gz WHVPISQBOXRCHR-DFEHQXHXSA-N 0 0 344.414 5.205 50 30 EKEARN COc1ccc(Cl)cc1/N=C/c1ccc(N2CCCCC2)cc1 ZINC000018142411 563849522 /nfs/dbraw/zinc/84/95/22/563849522.db2.gz DBTHGUPVWYKBHG-KGENOOAVSA-N 0 0 328.843 5.090 50 30 EKEARN Cc1cc2c(cc1C)N[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000018142527 564018364 /nfs/dbraw/zinc/01/83/64/564018364.db2.gz ROWXQQNBXKOVQS-QFIPXVFZSA-N 0 0 346.474 5.525 50 30 EKEARN Cc1cc2c(cc1C)N[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000018142529 211984543 /nfs/dbraw/zinc/98/45/43/211984543.db2.gz ROWXQQNBXKOVQS-JOCHJYFZSA-N 0 0 346.474 5.525 50 30 EKEARN Oc1ccc2ccccc2c1[C@@H](/N=C/c1ccccc1)c1ccccc1 ZINC000018153941 563849630 /nfs/dbraw/zinc/84/96/30/563849630.db2.gz IBKFPODMQLEYRC-IOCYEQIYSA-N 0 0 337.422 5.754 50 30 EKEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)c1ccc(C(F)(F)F)cc1 ZINC000018157116 564025102 /nfs/dbraw/zinc/02/51/02/564025102.db2.gz RDHIUXVWCPMFHM-LDADJPATSA-N 0 0 345.364 5.200 50 30 EKEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(C)c(C)c1 ZINC000018180876 563850651 /nfs/dbraw/zinc/85/06/51/563850651.db2.gz WSXADMISGVXVJN-SDNWHVSQSA-N 0 0 344.252 5.265 50 30 EKEARN COc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC)cc3)cc2)cc1 ZINC000018189628 564076127 /nfs/dbraw/zinc/07/61/27/564076127.db2.gz ZLMXOZRYFBGPHV-DFEHQXHXSA-N 0 0 344.414 5.205 50 30 EKEARN N#Cc1ccccc1/N=N/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000018191761 564018635 /nfs/dbraw/zinc/01/86/35/564018635.db2.gz XCLRGLUOQDKDEH-CYYJNZCTSA-N 0 0 349.397 6.031 50 30 EKEARN Cc1cc(Cl)ccc1/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000018205953 211990633 /nfs/dbraw/zinc/99/06/33/211990633.db2.gz BRFJPVXCXKXCFL-OEAKJJBVSA-N 0 0 335.834 5.978 50 30 EKEARN Cc1cc(Br)ccc1/N=C/c1ccc(N2CCCC2)cc1 ZINC000018206147 211990324 /nfs/dbraw/zinc/99/03/24/211990324.db2.gz CZRBLKNOIOKBDK-DEDYPNTBSA-N 0 0 343.268 5.108 50 30 EKEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(C)cc1C ZINC000018211994 211990584 /nfs/dbraw/zinc/99/05/84/211990584.db2.gz FJNXXGPKQAMDJT-SDNWHVSQSA-N 0 0 344.252 5.265 50 30 EKEARN CCN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000018254485 563851840 /nfs/dbraw/zinc/85/18/40/563851840.db2.gz FYFYJYAIIFJMAL-QFIPXVFZSA-N 0 0 346.474 5.323 50 30 EKEARN CCN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000018254487 211993693 /nfs/dbraw/zinc/99/36/93/211993693.db2.gz FYFYJYAIIFJMAL-JOCHJYFZSA-N 0 0 346.474 5.323 50 30 EKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccsc3)C12 ZINC000018254690 211993497 /nfs/dbraw/zinc/99/34/97/211993497.db2.gz CEPNKWWIVPAKOV-HXUWFJFHSA-N 0 0 347.464 5.615 50 30 EKEARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccsc3)C12 ZINC000018254692 563851943 /nfs/dbraw/zinc/85/19/43/563851943.db2.gz CEPNKWWIVPAKOV-FQEVSTJZSA-N 0 0 347.464 5.615 50 30 EKEARN Cc1cc(Nc2ccc(Cl)cc2)n2c3ccccc3nc2c1C#N ZINC000018271038 211993315 /nfs/dbraw/zinc/99/33/15/211993315.db2.gz HTIYAFHNCYRKMS-UHFFFAOYSA-N 0 0 332.794 5.065 50 30 EKEARN CCCCc1nc(N)c(C#N)c(-c2ccccc2Cl)c1CCC ZINC000018276459 564136384 /nfs/dbraw/zinc/13/63/84/564136384.db2.gz GCEBAOWZDIDOIW-UHFFFAOYSA-N 0 0 327.859 5.151 50 30 EKEARN CCOc1ccccc1/C=N\c1ccccc1C(=O)Nc1ccccc1 ZINC000018323660 211994277 /nfs/dbraw/zinc/99/42/77/211994277.db2.gz NWVFFHZQABIZMB-KQWNVCNZSA-N 0 0 344.414 5.088 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(F)c1 ZINC000018324163 211994287 /nfs/dbraw/zinc/99/42/87/211994287.db2.gz GJTZADUOTNUIOV-HXUWFJFHSA-N 0 0 336.410 5.048 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(F)c1 ZINC000018324166 201996657 /nfs/dbraw/zinc/99/66/57/201996657.db2.gz GJTZADUOTNUIOV-FQEVSTJZSA-N 0 0 336.410 5.048 50 30 EKEARN N#CCCN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000019201917 212004278 /nfs/dbraw/zinc/00/42/78/212004278.db2.gz HMIWWDJOPNFIMM-QFIPXVFZSA-N 0 0 347.506 5.296 50 30 EKEARN N#CCCN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000019201920 212004037 /nfs/dbraw/zinc/00/40/37/212004037.db2.gz HMIWWDJOPNFIMM-JOCHJYFZSA-N 0 0 347.506 5.296 50 30 EKEARN N#Cc1ccc(OCc2ncc(-c3ccc(Cl)cc3)o2)c(Cl)c1 ZINC000019357696 212021277 /nfs/dbraw/zinc/02/12/77/212021277.db2.gz GCBFCZFVLHWVLZ-UHFFFAOYSA-N 0 0 345.185 5.099 50 30 EKEARN N#Cc1c(N)nc2c(c1-c1ccc(Cl)cc1Cl)CCCCCC2 ZINC000019594842 212050280 /nfs/dbraw/zinc/05/02/80/212050280.db2.gz OKZWFOYDVNYXQX-UHFFFAOYSA-N 0 0 346.261 5.168 50 30 EKEARN CCCCCCNc1nc(CCC)c2c(c1C#N)CC(C)(C)SC2 ZINC000019706538 202016221 /nfs/dbraw/zinc/01/62/21/202016221.db2.gz UTEJPANSVLTFBA-UHFFFAOYSA-N 0 0 345.556 5.466 50 30 EKEARN CCCCc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1CCC ZINC000019730830 212058347 /nfs/dbraw/zinc/05/83/47/212058347.db2.gz CGONYAZVUXJYLO-UHFFFAOYSA-N 0 0 327.859 5.151 50 30 EKEARN CCCCc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)s1 ZINC000019757654 212062487 /nfs/dbraw/zinc/06/24/87/212062487.db2.gz PVQBSRRJZRDGMM-UHFFFAOYSA-N 0 0 339.508 5.266 50 30 EKEARN C=CC/N=c1/sc(C)c(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000019800604 564129059 /nfs/dbraw/zinc/12/90/59/564129059.db2.gz YUGUVGHEBPWIJA-XUTLUUPISA-N 0 0 340.879 5.254 50 30 EKEARN Cc1cc(C)c(C)c(-c2c(C#N)c(N)nc3c2CCCCCC3)c1C ZINC000019805255 202021950 /nfs/dbraw/zinc/02/19/50/202021950.db2.gz JBPKKEMJANZYDA-UHFFFAOYSA-N 0 0 333.479 5.095 50 30 EKEARN CCCCCCc1nc(N)c(C#N)c(-c2ccco2)c1CCCCC ZINC000019827265 212072993 /nfs/dbraw/zinc/07/29/93/212072993.db2.gz YUGDBGHNKDBIOG-UHFFFAOYSA-N 0 0 339.483 5.651 50 30 EKEARN CCCCCCc1nc(N)c(C#N)c(-c2ccccc2)c1CCCCC ZINC000019832278 202022441 /nfs/dbraw/zinc/02/24/41/202022441.db2.gz KTCOBELKPLIWSW-UHFFFAOYSA-N 0 0 349.522 6.058 50 30 EKEARN N#Cc1c(N)nc(-c2ccc(Cl)c(Cl)c2)cc1-c1ccccc1 ZINC000019832455 212072932 /nfs/dbraw/zinc/07/29/32/212072932.db2.gz QCWQGHAETNZAFA-UHFFFAOYSA-N 0 0 340.213 5.176 50 30 EKEARN COc1ccc(-c2c(C#N)c(N)nc(-c3ccccc3)c2C(C)C)cc1 ZINC000019832539 212073306 /nfs/dbraw/zinc/07/33/06/212073306.db2.gz UFSFBMBWWNZIAF-UHFFFAOYSA-N 0 0 343.430 5.001 50 30 EKEARN O=C1/C(=C/c2ccccc2)CC[C@@H]2[C@@H]1CC[C@@H]1c3ccccc3CC[C@H]12 ZINC000019861901 212077755 /nfs/dbraw/zinc/07/77/55/212077755.db2.gz DIYWYRFFWACTFY-ZVCPJTDFSA-N 0 0 342.482 5.805 50 30 EKEARN CC(C)Cc1ccc(-c2nnc(SCCC#N)c3ccccc32)cc1 ZINC000019893994 564129092 /nfs/dbraw/zinc/12/90/92/564129092.db2.gz BFFUQNAXVMXYEF-UHFFFAOYSA-N 0 0 347.487 5.501 50 30 EKEARN Cc1ccc2nc(Cl)c(/C=C3\COc4ccc(C)cc4C3=O)cc2c1 ZINC000019926438 564130091 /nfs/dbraw/zinc/13/00/91/564130091.db2.gz REIGRRHUSIRAES-MHWRWJLKSA-N 0 0 349.817 5.164 50 30 EKEARN COc1ccc(-c2cc(-c3ccc(C(C)C)cc3)c(C#N)c(N)n2)cc1 ZINC000019939757 212088837 /nfs/dbraw/zinc/08/88/37/212088837.db2.gz FGBUMUNOYVWDOM-UHFFFAOYSA-N 0 0 343.430 5.001 50 30 EKEARN S=C(N=C(NCc1ccccc1)c1ccccc1)Nc1ccccc1 ZINC000020028961 526383153 /nfs/dbraw/zinc/38/31/53/526383153.db2.gz ZCSRDZXLYGMRNU-UHFFFAOYSA-N 0 0 345.471 5.031 50 30 EKEARN Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1\Sc2ccccc2C1=O ZINC000020034050 212095635 /nfs/dbraw/zinc/09/56/35/212095635.db2.gz BLHNHTGFSITHDU-NDENLUEZSA-N 0 0 346.455 5.127 50 30 EKEARN O=C1/C(=C\c2ccc(F)c(Br)c2)CC[C@H]1C1CCCC1 ZINC000020115431 212102959 /nfs/dbraw/zinc/10/29/59/212102959.db2.gz MFCJUOOPQGGMIE-XXYUJHKVSA-N 0 0 337.232 5.141 50 30 EKEARN O=C1/C(=C\c2ccc(F)c(Br)c2)CC[C@@H]1C1CCCC1 ZINC000020115433 212102747 /nfs/dbraw/zinc/10/27/47/212102747.db2.gz MFCJUOOPQGGMIE-RNQWEJQRSA-N 0 0 337.232 5.141 50 30 EKEARN Cc1ccc(/C=C2\CN(C(C)C)C/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC000020115437 212103244 /nfs/dbraw/zinc/10/32/44/212103244.db2.gz LUBIJDGXPCHDAS-MSKUYSOUSA-N 0 0 345.486 5.064 50 30 EKEARN COc1ccc(C2=C(N(C)C3CCCCC3)c3ccccc3C2=O)cc1 ZINC000020215805 212111757 /nfs/dbraw/zinc/11/17/57/212111757.db2.gz VQMSGQGDVLWQNT-UHFFFAOYSA-N 0 0 347.458 5.024 50 30 EKEARN N#Cc1c(N)nc(-c2ccccc2Cl)cc1-c1ccc(Cl)cc1 ZINC000020389401 212124860 /nfs/dbraw/zinc/12/48/60/212124860.db2.gz PPNTZGRFYNKJDB-UHFFFAOYSA-N 0 0 340.213 5.176 50 30 EKEARN CN=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1 ZINC000020404800 212125392 /nfs/dbraw/zinc/12/53/92/212125392.db2.gz FLBXMTKZLLTQRY-UHFFFAOYSA-N 0 0 348.060 5.598 50 30 EKEARN CN=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000020405188 212125892 /nfs/dbraw/zinc/12/58/92/212125892.db2.gz ISDIMSODHWROGE-UHFFFAOYSA-N 0 0 347.167 5.310 50 30 EKEARN C[C@@H](Nc1oc(/C=C/c2ccc(F)cc2)nc1C#N)c1ccccc1 ZINC000020446668 212129884 /nfs/dbraw/zinc/12/98/84/212129884.db2.gz GOMDHXKJBIKNNT-BRADTZPFSA-N 0 0 333.366 5.029 50 30 EKEARN C[C@H](Nc1oc(/C=C/c2ccc(F)cc2)nc1C#N)c1ccccc1 ZINC000020446672 212129703 /nfs/dbraw/zinc/12/97/03/212129703.db2.gz GOMDHXKJBIKNNT-TZIYXEQSSA-N 0 0 333.366 5.029 50 30 EKEARN CCCCCNc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 ZINC000020792018 212172255 /nfs/dbraw/zinc/17/22/55/212172255.db2.gz IWBMGYWLCONGJW-UHFFFAOYSA-N 0 0 349.478 5.074 50 30 EKEARN N#Cc1c2c(c(-c3ccccc3)nc1NC1CCCCC1)CCCC2 ZINC000020827499 202056142 /nfs/dbraw/zinc/05/61/42/202056142.db2.gz IYQXAXVVIXEIDS-UHFFFAOYSA-N 0 0 331.463 5.244 50 30 EKEARN N#Cc1c2c(c(-c3ccccc3)nc1NCc1ccccc1)CCCC2 ZINC000020827817 212175913 /nfs/dbraw/zinc/17/59/13/212175913.db2.gz AQXLPIVDEWRFMI-UHFFFAOYSA-N 0 0 339.442 5.111 50 30 EKEARN CCCCCCNc1nc(CCCC)c2c(c1C#N)CC(C)(C)OC2 ZINC000020840850 212175731 /nfs/dbraw/zinc/17/57/31/212175731.db2.gz OQLSQAXLSDHVOF-UHFFFAOYSA-N 0 0 343.515 5.139 50 30 EKEARN C=CCn1c2ccccc2nc1SCCOc1cccc(C)c1C ZINC000020897491 519269439 /nfs/dbraw/zinc/26/94/39/519269439.db2.gz NYEIBASVAIYZOE-UHFFFAOYSA-N 0 0 338.476 5.010 50 30 EKEARN C=CCn1c2ccccc2nc1SCCOc1cc(C)ccc1C ZINC000020897508 519269253 /nfs/dbraw/zinc/26/92/53/519269253.db2.gz DMPFLCFLJXKGCD-UHFFFAOYSA-N 0 0 338.476 5.010 50 30 EKEARN N#Cc1ccc(-c2csc(-c3cccc(Br)c3)n2)cc1 ZINC000021474229 212225859 /nfs/dbraw/zinc/22/58/59/212225859.db2.gz CLMXOVKPGONYGP-UHFFFAOYSA-N 0 0 341.233 5.111 50 30 EKEARN C#Cc1cccc(Oc2cccc(Oc3cccc(C#C)c3)c2C#N)c1 ZINC000022205703 212282945 /nfs/dbraw/zinc/28/29/45/212282945.db2.gz XJCBATFCWIHREC-UHFFFAOYSA-N 0 0 335.362 5.105 50 30 EKEARN C=C(C)CNC(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)s1 ZINC000022352140 258016382 /nfs/dbraw/zinc/01/63/82/258016382.db2.gz GBGKLUKTSNPEBB-UHFFFAOYSA-N 0 0 339.504 5.769 50 30 EKEARN N#Cc1ccccc1CSc1ncc(-c2ccccc2)n1C1CC1 ZINC000022473950 212300936 /nfs/dbraw/zinc/30/09/36/212300936.db2.gz WKBULFPWCMJWDY-UHFFFAOYSA-N 0 0 331.444 5.049 50 30 EKEARN O=C(/C=C/c1ccccc1OCc1ccccn1)c1ccc(Cl)cc1 ZINC000022504008 527637010 /nfs/dbraw/zinc/63/70/10/527637010.db2.gz JSGDILNOOKCXBA-JLHYYAGUSA-N 0 0 349.817 5.210 50 30 EKEARN CCCC(N=Nc1nc2ccccc2s1)N=Nc1ccccc1C ZINC000022611983 519861165 /nfs/dbraw/zinc/86/11/65/519861165.db2.gz FNVRWNYUFKANDY-QMHWDSPHSA-N 0 0 337.452 5.336 50 30 EKEARN C=CCN(C(=O)c1ccc(-c2ccc(F)cc2)s1)C1CCCCC1 ZINC000022622292 212312502 /nfs/dbraw/zinc/31/25/02/212312502.db2.gz VRHHSQZTTFMMGL-UHFFFAOYSA-N 0 0 343.467 5.515 50 30 EKEARN Cc1ccc(-c2nc(COc3ccc(C#N)cc3Cl)co2)c(C)c1 ZINC000023007244 202097340 /nfs/dbraw/zinc/09/73/40/202097340.db2.gz VNSBDYJACUQLAS-UHFFFAOYSA-N 0 0 338.794 5.063 50 30 EKEARN CCc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 ZINC000023119209 212349597 /nfs/dbraw/zinc/34/95/97/212349597.db2.gz VACKDMPTFBEQJO-UHFFFAOYSA-N 0 0 325.774 5.205 50 30 EKEARN CCc1ccc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000023119211 202097963 /nfs/dbraw/zinc/09/79/63/202097963.db2.gz DOYIHZPUSQYFGJ-UHFFFAOYSA-N 0 0 341.336 5.431 50 30 EKEARN CC(N=Nc1nc2ccccc2s1)N=Nc1cccc2ccccc21 ZINC000023411399 212375390 /nfs/dbraw/zinc/37/53/90/212375390.db2.gz RDFABMSEIOYTAN-OSWVXBLQSA-N 0 0 345.431 5.401 50 30 EKEARN CC(=O)c1ccc(OCc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000023444433 212377834 /nfs/dbraw/zinc/37/78/34/212377834.db2.gz VVEAGWYDQQEJBX-UHFFFAOYSA-N 0 0 327.383 5.007 50 30 EKEARN CCNc1ccc(/N=N/c2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000023467680 212378355 /nfs/dbraw/zinc/37/83/55/212378355.db2.gz WSWCWQDZXLMYIQ-OCOZRVBESA-N 0 0 326.403 6.072 50 30 EKEARN N#Cc1c(N)nc2sc(Oc3ccccc3)cc2c1-c1ccccc1 ZINC000024983978 212451037 /nfs/dbraw/zinc/45/10/37/212451037.db2.gz AEFTZZNEZKKGLW-UHFFFAOYSA-N 0 0 343.411 5.209 50 30 EKEARN N#Cc1cc2c(nc1Oc1ccc(-c3ccccc3)cc1)CCCC2 ZINC000024985265 564050012 /nfs/dbraw/zinc/05/00/12/564050012.db2.gz KWMNWBBVWYZOFV-UHFFFAOYSA-N 0 0 326.399 5.291 50 30 EKEARN O=C(/C=C/c1ccccc1)ON=C1CCCCCCCCCCC1 ZINC000025557796 202133495 /nfs/dbraw/zinc/13/34/95/202133495.db2.gz AFZHOVKJSZSIIS-ISLYRVAYSA-N 0 0 327.468 5.904 50 30 EKEARN Cc1ccc(S(=O)(=O)OC2CCCCCCCCCCC2)cc1 ZINC000025557928 564177395 /nfs/dbraw/zinc/17/73/95/564177395.db2.gz PQDPXHXIMUPLSV-UHFFFAOYSA-N 0 0 338.513 5.374 50 30 EKEARN FC(F)Oc1ccc(/C=N/n2c3ccccc3c3ccccc32)cc1 ZINC000025560004 212487777 /nfs/dbraw/zinc/48/77/77/212487777.db2.gz SLEXZJJIRHAJOC-YDZHTSKRSA-N 0 0 336.341 5.278 50 30 EKEARN O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000025668508 564177415 /nfs/dbraw/zinc/17/74/15/564177415.db2.gz KJVUTWRGVHMSCU-FNORWQNLSA-N 0 0 346.040 6.196 50 30 EKEARN N#Cc1ccc(Oc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000025692506 564062754 /nfs/dbraw/zinc/06/27/54/564062754.db2.gz WEASQOQEOUSQKU-UHFFFAOYSA-N 0 0 349.773 5.223 50 30 EKEARN N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc2ccccc21 ZINC000025720682 212495394 /nfs/dbraw/zinc/49/53/94/212495394.db2.gz YTSVFFPNSUYXPJ-UHFFFAOYSA-N 0 0 348.405 5.631 50 30 EKEARN Cc1nc(N=NC(N=Nc2ccccc2)c2ccccc2)sc1C ZINC000025761915 526627576 /nfs/dbraw/zinc/62/75/76/526627576.db2.gz GIFKVQOPAJDJLO-SZVLODPRSA-N 0 0 335.436 5.318 50 30 EKEARN Clc1ccc(-c2ccc(C=NNc3ccccc3)o2)cc1Cl ZINC000026686859 212531222 /nfs/dbraw/zinc/53/12/22/212531222.db2.gz MMPPVVTTZHVPFY-JAIQZWGSSA-N 0 0 331.202 5.699 50 30 EKEARN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccccc1C#N ZINC000026786575 564088942 /nfs/dbraw/zinc/08/89/42/564088942.db2.gz RVPKAUSSYLVHSU-UHFFFAOYSA-N 0 0 336.778 5.032 50 30 EKEARN Cc1ccc(-c2nc(C#N)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000026841286 564089149 /nfs/dbraw/zinc/08/91/49/564089149.db2.gz UOCIDIQCXHCTFY-UHFFFAOYSA-N 0 0 326.808 5.326 50 30 EKEARN C=C(Cl)Cn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 ZINC000026894777 564090355 /nfs/dbraw/zinc/09/03/55/564090355.db2.gz ZOIXHMZALVDCAV-DHZHZOJOSA-N 0 0 329.230 5.613 50 30 EKEARN COc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2F)c1C#N ZINC000027023319 564093061 /nfs/dbraw/zinc/09/30/61/564093061.db2.gz COGVUTNTZBJSIL-UHFFFAOYSA-N 0 0 338.769 5.088 50 30 EKEARN N#Cc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 ZINC000027499254 212559862 /nfs/dbraw/zinc/55/98/62/212559862.db2.gz AKZIBHBZJUMNBD-CFZJUORYSA-N 0 0 341.241 5.692 50 30 EKEARN CN(C)c1ccc(/C=C2\Sc3c(ccc4ccccc34)C2=O)cc1 ZINC000027528491 212561798 /nfs/dbraw/zinc/56/17/98/212561798.db2.gz GFXXOOMHYYNVMS-UYRXBGFRSA-N 0 0 331.440 5.235 50 30 EKEARN Cc1ccc(C(=O)/C(=C\c2cccs2)c2nc3ccccc3o2)cc1 ZINC000027569650 564132215 /nfs/dbraw/zinc/13/22/15/564132215.db2.gz ZNYVJXNVRMOZGZ-GHRIWEEISA-N 0 0 345.423 5.621 50 30 EKEARN CCCCC1CCC(c2nc(C#N)c(NCc3ccncc3)o2)CC1 ZINC000027748633 564134337 /nfs/dbraw/zinc/13/43/37/564134337.db2.gz DKXHZRHDHRCHAZ-UHFFFAOYSA-N 0 0 338.455 5.017 50 30 EKEARN CCCCC1CCC(c2nc(C#N)c(NCc3cccnc3)o2)CC1 ZINC000027748668 564134353 /nfs/dbraw/zinc/13/43/53/564134353.db2.gz DGGPTRBIRBQAAW-UHFFFAOYSA-N 0 0 338.455 5.017 50 30 EKEARN O=[N+]([O-])c1ccccc1-c1ccc(/C=N/c2cccc(Cl)c2)o1 ZINC000028293988 564150921 /nfs/dbraw/zinc/15/09/21/564150921.db2.gz FJFKBWVAKKBPJP-YBFXNURJSA-N 0 0 326.739 5.259 50 30 EKEARN O=C1c2cccc3cccc(c23)/C1=C\c1cccc(Br)c1 ZINC000028294695 212614013 /nfs/dbraw/zinc/61/40/13/212614013.db2.gz PLEDHRXQICZIHZ-GZTJUZNOSA-N 0 0 335.200 5.339 50 30 EKEARN N#Cc1nc(-c2ccc(F)cc2)oc1Sc1ccc(Cl)cc1 ZINC000028405330 212617638 /nfs/dbraw/zinc/61/76/38/212617638.db2.gz OPCYECODUWYXFD-UHFFFAOYSA-N 0 0 330.771 5.157 50 30 EKEARN COc1ccc(-c2nc(C#N)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000028405568 202170315 /nfs/dbraw/zinc/17/03/15/202170315.db2.gz ZOGSTGXOFJIORU-UHFFFAOYSA-N 0 0 342.807 5.026 50 30 EKEARN C=CCOc1ccc(-c2nnc(-c3oc4ccccc4c3C)o2)cc1 ZINC000028627980 564079237 /nfs/dbraw/zinc/07/92/37/564079237.db2.gz VJUYOLYRWSNPPV-UHFFFAOYSA-N 0 0 332.359 5.023 50 30 EKEARN O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccccc1Cl ZINC000029206675 564153203 /nfs/dbraw/zinc/15/32/03/564153203.db2.gz FZAHXMSARRTMGD-UHFFFAOYSA-N 0 0 337.831 5.054 50 30 EKEARN CN(C)/C=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O ZINC000029763591 212680406 /nfs/dbraw/zinc/68/04/06/212680406.db2.gz CZLNUOUWSSNILK-BYIUCRAPSA-N 0 0 346.257 5.157 50 30 EKEARN Cc1ccc(S/C(=C\N(C)C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000029763603 563908413 /nfs/dbraw/zinc/90/84/13/563908413.db2.gz AHSZEHGXOCIEBE-ATVHPVEESA-N 0 0 331.868 5.026 50 30 EKEARN C=CCOc1cccc([C@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)c1 ZINC000030781523 564157745 /nfs/dbraw/zinc/15/77/45/564157745.db2.gz GBHFCOKTTPVCEJ-BWAGFHJFSA-N 0 0 335.447 5.194 50 30 EKEARN Cc1ccc(-c2nc(CSCc3ccc(C#N)cc3)cs2)cc1 ZINC000031411664 564159378 /nfs/dbraw/zinc/15/93/78/564159378.db2.gz DMBQPUBYWKJTBH-UHFFFAOYSA-N 0 0 336.485 5.424 50 30 EKEARN O=C1/C(=C/C=C\c2ccccc2)CCC/C1=C/C=C\c1ccccc1 ZINC000031667381 563912869 /nfs/dbraw/zinc/91/28/69/563912869.db2.gz CTQRVSIAFMWYTR-DTFHCTRPSA-N 0 0 326.439 6.019 50 30 EKEARN C(=NN=c1[nH]c2ccccc2s1)c1cccc(Oc2ccccc2)c1 ZINC000031829236 518380844 /nfs/dbraw/zinc/38/08/44/518380844.db2.gz UHEFCPUYMNTBLP-STZFKDTASA-N 0 0 345.427 5.535 50 30 EKEARN O=C(Sc1ccc(Cl)cc1)C1=C(c2ccccc2)SCCO1 ZINC000032104703 564160791 /nfs/dbraw/zinc/16/07/91/564160791.db2.gz GEENGJNDYSRNFZ-UHFFFAOYSA-N 0 0 348.876 5.091 50 30 EKEARN O=C(/C=C\c1ccccc1)c1ccc(C(=O)/C=C\c2ccccc2)cc1 ZINC000032451084 563913667 /nfs/dbraw/zinc/91/36/67/563913667.db2.gz YDJKHVQLADEYIK-WHYMJUELSA-N 0 0 338.406 5.479 50 30 EKEARN Cc1ccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccc(C)cc2)cc1 ZINC000032609556 563664998 /nfs/dbraw/zinc/66/49/98/563664998.db2.gz XTQPFCZZNPKLRL-INJUALFYSA-N 0 0 340.422 5.703 50 30 EKEARN Cc1ccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccc(C)cc2)cc1 ZINC000032609557 212817611 /nfs/dbraw/zinc/81/76/11/212817611.db2.gz XTQPFCZZNPKLRL-VOZFUJEASA-N 0 0 340.422 5.703 50 30 EKEARN N#Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000032616755 563666882 /nfs/dbraw/zinc/66/68/82/563666882.db2.gz MKCPTQNPAYZMIE-UHFFFAOYSA-N 0 0 340.813 6.094 50 30 EKEARN CC(C)[C@@]1(C)CC[C@@H](C)/C(=C/c2ccc(Br)cc2)C1=O ZINC000032625390 563670127 /nfs/dbraw/zinc/67/01/27/563670127.db2.gz GRVAQCIAWHSEHI-WVDMDIRISA-N 0 0 335.285 5.494 50 30 EKEARN CCCOc1ccc(/C=C/C(=O)c2ccc3cc(OC)ccc3c2)cc1 ZINC000032641933 564085838 /nfs/dbraw/zinc/08/58/38/564085838.db2.gz ZPLACEREXJKHIO-AWNIVKPZSA-N 0 0 346.426 5.533 50 30 EKEARN COc1cc(C#N)ccc1O[C@@H](c1ccccc1)c1ccccc1C ZINC000032765449 212836919 /nfs/dbraw/zinc/83/69/19/212836919.db2.gz OFMOTBIRYFSZQL-QFIPXVFZSA-N 0 0 329.399 5.044 50 30 EKEARN COc1cc(C#N)ccc1O[C@H](c1ccccc1)c1ccccc1C ZINC000032765450 212836621 /nfs/dbraw/zinc/83/66/21/212836621.db2.gz OFMOTBIRYFSZQL-JOCHJYFZSA-N 0 0 329.399 5.044 50 30 EKEARN CCCCCCCCCCCCCCCCCCCCCC(N)=O ZINC000032786202 202234873 /nfs/dbraw/zinc/23/48/73/202234873.db2.gz ORAWFNKFUWGRJG-UHFFFAOYSA-N 0 0 339.608 7.294 50 30 endogenous,in-man EKEARN O=C(/C=C/c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)CCO2 ZINC000032888154 258058746 /nfs/dbraw/zinc/05/87/46/258058746.db2.gz CRSNUSUVHLADPO-PKNBQFBNSA-N 0 0 342.394 5.310 50 30 EKEARN N#Cc1ccc(C(=O)Nc2ccccc2-c2ccc3ccccc3n2)cc1 ZINC000033113705 202251106 /nfs/dbraw/zinc/25/11/06/202251106.db2.gz IHYMCGXRFOKCKG-UHFFFAOYSA-N 0 0 349.393 5.026 50 30 EKEARN CC(C)[C@]1(C)CC[C@@H](C)/C(=C/c2ccc(Br)cc2)C1=O ZINC000033151451 563963946 /nfs/dbraw/zinc/96/39/46/563963946.db2.gz GRVAQCIAWHSEHI-PVEKRBQXSA-N 0 0 335.285 5.494 50 30 EKEARN CC(C)[C@@]1(C)CC[C@H](C)/C(=C/c2ccc(Br)cc2)C1=O ZINC000033151453 563964003 /nfs/dbraw/zinc/96/40/03/563964003.db2.gz GRVAQCIAWHSEHI-ROSRMXPWSA-N 0 0 335.285 5.494 50 30 EKEARN CC(C)[C@]1(C)CC[C@H](C)/C(=C/c2ccc(Br)cc2)C1=O ZINC000033151455 563963992 /nfs/dbraw/zinc/96/39/92/563963992.db2.gz GRVAQCIAWHSEHI-ZQNVMJHJSA-N 0 0 335.285 5.494 50 30 EKEARN C=CCOc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000033271113 212913629 /nfs/dbraw/zinc/91/36/29/212913629.db2.gz NQECZEAIDPTYBF-NYVOZVTQSA-N 0 0 335.447 5.194 50 30 EKEARN C=CCOc1ccc([C@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000033271114 563971770 /nfs/dbraw/zinc/97/17/70/563971770.db2.gz NQECZEAIDPTYBF-BWAGFHJFSA-N 0 0 335.447 5.194 50 30 EKEARN O=C1c2cnc3ccc4ccccc4c3c2CC/C1=C/c1ccco1 ZINC000033294214 563973106 /nfs/dbraw/zinc/97/31/06/563973106.db2.gz YYPAFIZEPZIODQ-QINSGFPZSA-N 0 0 325.367 5.194 50 30 EKEARN Cc1ccc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)cc1C ZINC000033308006 212920697 /nfs/dbraw/zinc/92/06/97/212920697.db2.gz MQOLOXFCFVJJGY-NDENLUEZSA-N 0 0 332.424 5.893 50 30 EKEARN C=CCc1ccccc1OCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000033327169 212925953 /nfs/dbraw/zinc/92/59/53/212925953.db2.gz LXPPNTNDUXUCNL-UHFFFAOYSA-N 0 0 333.218 5.177 50 30 EKEARN O=C1c2ccccc2S/C1=C\c1ccc(-c2ccccc2Cl)o1 ZINC000033347599 212930415 /nfs/dbraw/zinc/93/04/15/212930415.db2.gz YFVQQQAAVGIXKX-WQRHYEAKSA-N 0 0 338.815 5.930 50 30 EKEARN O=C1/C(=C/C=C(Cl)Cl)CCCC/C1=C\C=C(Cl)Cl ZINC000033352398 212930309 /nfs/dbraw/zinc/93/03/09/212930309.db2.gz AYPVUMDHDQAJOI-NXZHAISVSA-N 0 0 326.050 5.620 50 30 EKEARN CCCCCCCCSc1ccc(-c2ccc(CCC)cn2)cc1 ZINC000033353043 520046514 /nfs/dbraw/zinc/04/65/14/520046514.db2.gz YVHBFRWYEUOZSA-UHFFFAOYSA-N 0 0 341.564 7.154 50 30 EKEARN CCCCCCCCOc1ccc(OC(=O)C2CCCCC2)cc1 ZINC000033353666 520042717 /nfs/dbraw/zinc/04/27/17/520042717.db2.gz AYESHZVHWHOLQB-UHFFFAOYSA-N 0 0 332.484 5.912 50 30 EKEARN CCCCCCCCCCCCCCCCOc1ccc(C=O)cc1 ZINC000033353706 520001378 /nfs/dbraw/zinc/00/13/78/520001378.db2.gz VOJUFZIYRURGFZ-UHFFFAOYSA-N 0 0 346.555 7.359 50 30 EKEARN CCCCCCCCCCCCCCCCCCOc1ccccc1 ZINC000033353715 519997401 /nfs/dbraw/zinc/99/74/01/519997401.db2.gz QDYGCAOQFANHSG-UHFFFAOYSA-N 0 0 346.599 8.327 50 30 EKEARN CCCCCCCCCCCC[S@@](=O)C[C@@H](O)c1ccccc1 ZINC000033355507 520016328 /nfs/dbraw/zinc/01/63/28/520016328.db2.gz JGFMVVKNYQLJOQ-OFNKIYASSA-N 0 0 338.557 5.390 50 30 EKEARN CCCCCCCCCCCC[S@](=O)C[C@@H](O)c1ccccc1 ZINC000033355508 520015887 /nfs/dbraw/zinc/01/58/87/520015887.db2.gz JGFMVVKNYQLJOQ-NFBKMPQASA-N 0 0 338.557 5.390 50 30 EKEARN CCCCCCCCCCCC[S@@](=O)C[C@H](O)c1ccccc1 ZINC000033355510 520015440 /nfs/dbraw/zinc/01/54/40/520015440.db2.gz JGFMVVKNYQLJOQ-REWPJTCUSA-N 0 0 338.557 5.390 50 30 EKEARN CCCCCCCCCCCC[S@](=O)C[C@H](O)c1ccccc1 ZINC000033355511 520015062 /nfs/dbraw/zinc/01/50/62/520015062.db2.gz JGFMVVKNYQLJOQ-NZQKXSOJSA-N 0 0 338.557 5.390 50 30 EKEARN CN(C)c1ccc(CC=C(N=Nc2ccccc2)c2ccccc2)cc1 ZINC000033368409 564130136 /nfs/dbraw/zinc/13/01/36/564130136.db2.gz PGXVQLMSRMMTSF-RAOUGZJESA-N 0 0 341.458 5.282 50 30 EKEARN CCN1c2ccccc2S/C1=C/C=C1\C(=O)C=Cc2ccccc21 ZINC000033370254 563915986 /nfs/dbraw/zinc/91/59/86/563915986.db2.gz JZFXWYPVXGMIKL-CVPKZDCNSA-N 0 0 331.440 5.140 50 30 EKEARN O=C(/C=C\c1cc(Br)cs1)c1ccc(Cl)cc1 ZINC000033373948 563915989 /nfs/dbraw/zinc/91/59/89/563915989.db2.gz PSSJEANURYCSPI-WAYWQWQTSA-N 0 0 327.630 5.060 50 30 EKEARN CCN1c2cc(-c3ccccc3)ccc2O/C1=C/C=N/c1ccccc1 ZINC000033387376 202259842 /nfs/dbraw/zinc/25/98/42/202259842.db2.gz BLMQPFNXVFXTEM-DFEHQXHXSA-N 0 0 340.426 5.816 50 30 EKEARN O=C(/C(=C\c1cccs1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000033400208 563983930 /nfs/dbraw/zinc/98/39/30/563983930.db2.gz CNHFZJRGAWGWAF-DTQAZKPQSA-N 0 0 330.412 5.048 50 30 EKEARN Cc1cccc2cc(/C=C\C(=O)c3ccc(Cl)cc3)c(Cl)nc12 ZINC000033405416 212935482 /nfs/dbraw/zinc/93/54/82/212935482.db2.gz CDGXILGAIGAOFF-YFHOEESVSA-N 0 0 342.225 5.746 50 30 EKEARN O=C(/C=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccs1 ZINC000033406262 527653941 /nfs/dbraw/zinc/65/39/41/527653941.db2.gz QCWHSYQQFGKVLY-DAXSKMNVSA-N 0 0 349.238 6.211 50 30 EKEARN O=C(/C(=C\c1ccccn1)c1ccc2ccccc2n1)c1ccccc1 ZINC000033408401 212934660 /nfs/dbraw/zinc/93/46/60/212934660.db2.gz OYABSURESJZROB-SILNSSARSA-N 0 0 336.394 5.053 50 30 EKEARN C=C(Br)Cn1c(/C=C\c2ccccc2)nc2ccccc21 ZINC000033409707 212934622 /nfs/dbraw/zinc/93/46/22/212934622.db2.gz AVNXNCCFTIEKEW-QXMHVHEDSA-N 0 0 339.236 5.115 50 30 EKEARN O=C(/C(=C\c1ccc(F)cc1)c1nc2ccccc2o1)c1ccccc1 ZINC000033436365 564036801 /nfs/dbraw/zinc/03/68/01/564036801.db2.gz GFYVTCJBXRZADK-NBVRZTHBSA-N 0 0 343.357 5.390 50 30 EKEARN CCOc1cc(/C=C\C(=O)c2cc3ccccc3o2)cc(Cl)c1O ZINC000033466980 201073881 /nfs/dbraw/zinc/07/38/81/201073881.db2.gz IPTGDUZGGKGYFH-FPLPWBNLSA-N 0 0 342.778 5.087 50 30 EKEARN N#Cc1c(N)nc(-c2ccc(Cl)cc2)cc1-c1ccccc1Cl ZINC000033498147 563916147 /nfs/dbraw/zinc/91/61/47/563916147.db2.gz MPQAMYNBOCRLJB-UHFFFAOYSA-N 0 0 340.213 5.176 50 30 EKEARN COc1ccc2c(c1)CC/C(=C\c1ccc(Cl)c(Cl)c1)C2=O ZINC000033502523 564036849 /nfs/dbraw/zinc/03/68/49/564036849.db2.gz HSGZWEQLSBNSAG-MDWZMJQESA-N 0 0 333.214 5.215 50 30 EKEARN O=C(/C=C\c1c(Cl)cccc1Cl)c1ccc(OC(F)F)cc1 ZINC000033525777 212953807 /nfs/dbraw/zinc/95/38/07/212953807.db2.gz IVKOBSGBJLVXCP-HJWRWDBZSA-N 0 0 343.156 5.491 50 30 EKEARN Cc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000033527321 524154120 /nfs/dbraw/zinc/15/41/20/524154120.db2.gz TWRMGOAKLXTABH-VXLYETTFSA-N 0 0 327.840 5.218 50 30 EKEARN O=C(/C=C\c1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl ZINC000033654259 212957678 /nfs/dbraw/zinc/95/76/78/212957678.db2.gz XMZHTNRNPVKDBZ-DAXSKMNVSA-N 0 0 345.147 5.908 50 30 EKEARN O=C(/C=C\c1ccc(Br)cc1)c1cc2ccccc2o1 ZINC000033677318 202267667 /nfs/dbraw/zinc/26/76/67/202267667.db2.gz MLFBRYLZEOMJPS-YFHOEESVSA-N 0 0 327.177 5.091 50 30 EKEARN Cc1ccc(-c2csc(C(C#N)=NNc3ccc(C)cc3C)n2)cc1 ZINC000033679973 564036910 /nfs/dbraw/zinc/03/69/10/564036910.db2.gz RKLUAILYXBUIDZ-HKOYGPOVSA-N 0 0 346.459 5.075 50 30 EKEARN C=CCn1cccc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)c1=S ZINC000033690425 519284768 /nfs/dbraw/zinc/28/47/68/519284768.db2.gz VCDROWHEFPYWRS-RAXLEYEMSA-N 0 0 337.488 5.597 50 30 EKEARN CCCC(=O)Nc1ccc(C(=O)/C=C\c2ccc(SC)cc2)cc1 ZINC000033695993 519877581 /nfs/dbraw/zinc/87/75/81/519877581.db2.gz VEFXKVBNRAZUAN-AUWJEWJLSA-N 0 0 339.460 5.043 50 30 EKEARN C/C(=N/NC(=S)Nc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000033698850 202269340 /nfs/dbraw/zinc/26/93/40/202269340.db2.gz PCMZJOWELXDYSV-KQWNVCNZSA-N 0 0 345.471 5.064 50 30 EKEARN COc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000033710939 523431889 /nfs/dbraw/zinc/43/18/89/523431889.db2.gz UTIBSRWRTRNAAD-SQFISAMPSA-N 0 0 344.410 5.267 50 30 EKEARN O=C1/C(=C/c2ccc(F)cc2)CCCCC/C1=C/c1ccc(F)cc1 ZINC000033718711 212960539 /nfs/dbraw/zinc/96/05/39/212960539.db2.gz ZWJIORJVLRDMLC-KPNKYRRCSA-N 0 0 338.397 5.965 50 30 EKEARN O=C1/C(=C\c2ccc(F)cc2)CCCCC/C1=C/c1ccc(F)cc1 ZINC000033718712 564085868 /nfs/dbraw/zinc/08/58/68/564085868.db2.gz ZWJIORJVLRDMLC-DJTQBEGKSA-N 0 0 338.397 5.965 50 30 EKEARN CCOc1ccccc1/C=C1/CC/C(=C/c2ccccc2OCC)C1=O ZINC000033745709 521447883 /nfs/dbraw/zinc/44/78/83/521447883.db2.gz HKVWBUFCNNHILG-IKBKFCNISA-N 0 0 348.442 5.314 50 30 EKEARN O=C(/C=C\c1cccc(Br)c1)c1cc2ccccc2o1 ZINC000033778587 212963170 /nfs/dbraw/zinc/96/31/70/212963170.db2.gz SLEZQOBINNLLSL-HJWRWDBZSA-N 0 0 327.177 5.091 50 30 EKEARN COc1ccc(/C=C\C(=O)c2ccc3[nH]c4ccccc4c3c2)cc1 ZINC000033903900 212968946 /nfs/dbraw/zinc/96/89/46/212968946.db2.gz UWJKYQVLHFRRED-JYRVWZFOSA-N 0 0 327.383 5.226 50 30 EKEARN O=C(/C=C\c1ccc(/C=C\C(=O)c2ccccc2)o1)c1ccccc1 ZINC000033920199 527654113 /nfs/dbraw/zinc/65/41/13/527654113.db2.gz HSGSSYGYTKOUJK-VMNXYWKNSA-N 0 0 328.367 5.072 50 30 EKEARN O=C(/C=C/c1ccc(/C=C\C(=O)c2ccccc2)o1)c1ccccc1 ZINC000033920200 527604394 /nfs/dbraw/zinc/60/43/94/527604394.db2.gz HSGSSYGYTKOUJK-VCFJNTAESA-N 0 0 328.367 5.072 50 30 EKEARN O=C(/C(=C\c1ccc(F)cc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000033924416 212970304 /nfs/dbraw/zinc/97/03/04/212970304.db2.gz CGUMQAFNEWRLSK-NBVRZTHBSA-N 0 0 342.373 5.126 50 30 EKEARN COc1ccc(C(=O)/C=C\c2cc3cc(C)ccc3nc2Cl)cc1 ZINC000033932293 564037544 /nfs/dbraw/zinc/03/75/44/564037544.db2.gz MHSSASSWLPJGFN-POHAHGRESA-N 0 0 337.806 5.101 50 30 EKEARN COc1ccc(/C=C2/CCCCC(=C(SC)SC)C2=O)cc1 ZINC000034691069 212982659 /nfs/dbraw/zinc/98/26/59/212982659.db2.gz UUIKMRNFDDUKCW-OWBHPGMISA-N 0 0 334.506 5.159 50 30 EKEARN O=C(/C(=C\c1ccccn1)c1nc2ccccc2s1)c1ccccc1 ZINC000034704535 202276214 /nfs/dbraw/zinc/27/62/14/202276214.db2.gz KLAVXRBVTCFKGQ-SAPNQHFASA-N 0 0 342.423 5.115 50 30 EKEARN Cc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3o2)cc1 ZINC000034719991 202276465 /nfs/dbraw/zinc/27/64/65/202276465.db2.gz LKCOMTOTVKCJHV-XDJHFCHBSA-N 0 0 339.394 5.560 50 30 EKEARN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)c1ccc(Cl)s1 ZINC000034782386 563475908 /nfs/dbraw/zinc/47/59/08/563475908.db2.gz HAISEIOOXKWIME-HJWRWDBZSA-N 0 0 342.851 5.100 50 30 EKEARN O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccc(OC(F)F)cc1 ZINC000034782520 527654831 /nfs/dbraw/zinc/65/48/31/527654831.db2.gz OWULHMZABRVATG-YWEYNIOJSA-N 0 0 343.156 5.491 50 30 EKEARN CCCCCCCC/C=C\CCCCCCCC(=O)C(F)(F)F ZINC000034803437 564056791 /nfs/dbraw/zinc/05/67/91/564056791.db2.gz SOJGXPSMVNTNQL-KTKRTIGZSA-N 0 0 334.466 7.155 50 30 in-vivo EKEARN O=C(/C(=C\c1ccncc1)c1ccc2ccccc2n1)c1ccccc1 ZINC000034891100 212994675 /nfs/dbraw/zinc/99/46/75/212994675.db2.gz XRNGPCIQCFFDAB-SILNSSARSA-N 0 0 336.394 5.053 50 30 EKEARN N#CCC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000035049787 213005781 /nfs/dbraw/zinc/00/57/81/213005781.db2.gz PCVWPSXCQLIVKK-UHFFFAOYSA-N 0 0 337.344 5.352 50 30 EKEARN O=C(/C=C\c1ccccc1OC(=O)C1CCC1)c1cc2ccccc2o1 ZINC000035154688 527658408 /nfs/dbraw/zinc/65/84/08/527658408.db2.gz YULPXGUBVJSXLX-SEYXRHQNSA-N 0 0 346.382 5.034 50 30 EKEARN O=C(/C(=C\c1ccco1)c1nc2ccccc2s1)c1ccccc1 ZINC000035340688 213021550 /nfs/dbraw/zinc/02/15/50/213021550.db2.gz BSYOEVZUHHRLRD-DTQAZKPQSA-N 0 0 331.396 5.313 50 30 EKEARN Cc1cc(N=NC2CCC(c3ccccc3)CC2)c2ccccc2n1 ZINC000035586334 213040551 /nfs/dbraw/zinc/04/05/51/213040551.db2.gz LIQXTMGXZMKQIS-UHFFFAOYSA-N 0 0 329.447 5.669 50 30 EKEARN Cc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000035653412 213044013 /nfs/dbraw/zinc/04/40/13/213044013.db2.gz MBIQTKCGRQYNLP-FYJGNVAPSA-N 0 0 341.867 5.608 50 30 EKEARN CCCC(N=Nc1nc(-c2ccc(C)cc2)cs1)c1ccccc1 ZINC000035653452 213044401 /nfs/dbraw/zinc/04/44/01/213044401.db2.gz IQDCVWMZOISVPY-RELWKKBWSA-N 0 0 335.476 5.157 50 30 EKEARN Cc1cc(C)c(C(C)N=Nc2nc(-c3ccccc3)cs2)c(C)c1 ZINC000035653466 213044270 /nfs/dbraw/zinc/04/42/70/213044270.db2.gz GNIZHYQZBOGWBM-CJLVFECKSA-N 0 0 335.476 5.571 50 30 EKEARN C=CCn1c(SCc2ccc(F)cc2F)nnc1C1CCCCC1 ZINC000035847414 564091399 /nfs/dbraw/zinc/09/13/99/564091399.db2.gz RRLFHBGZWWWVML-UHFFFAOYSA-N 0 0 349.450 5.082 50 30 EKEARN C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/CCC(C)=O ZINC000035877869 201078070 /nfs/dbraw/zinc/07/80/70/201078070.db2.gz RUJSTMILPJJENL-OOGRFIRCSA-N 0 0 330.556 6.881 50 30 EKEARN N#Cc1c(N)nc2c(c1-c1ccccc1)CCCCCCCCCC2 ZINC000035937968 213052069 /nfs/dbraw/zinc/05/20/69/213052069.db2.gz CYGXWBPSLMHDOZ-UHFFFAOYSA-N 0 0 333.479 5.422 50 30 EKEARN Cc1ccc(-c2c(C#N)c(N)nc3c2CCCCCCCCCC3)cc1 ZINC000035939832 213051990 /nfs/dbraw/zinc/05/19/90/213051990.db2.gz BBXHLWGKVJGASL-UHFFFAOYSA-N 0 0 347.506 5.730 50 30 EKEARN Cc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1 ZINC000036022588 201770175 /nfs/dbraw/zinc/77/01/75/201770175.db2.gz AOSQERHXYSIVLB-UHFFFAOYSA-N 0 0 344.439 5.270 50 30 EKEARN CC(C)[C@H]1CC[C@@H](C)/C(=C\C=C2\C(=O)[C@H](C(C)C)CC[C@H]2C)C1=O ZINC000036056567 564036351 /nfs/dbraw/zinc/03/63/51/564036351.db2.gz CDLMGTMYJCSWTE-FBWDHRNTSA-N 0 0 330.512 5.382 50 30 EKEARN CN1c2ccccc2C(C)(C)/C1=C\C=C1/CCc2ccccc2C1=O ZINC000036294015 213081785 /nfs/dbraw/zinc/08/17/85/213081785.db2.gz DTPLBBMEWNNVFO-LBNBPBRMSA-N 0 0 329.443 5.053 50 30 EKEARN CCCCCCCCCCCCCCCCCC(=O)NCCO ZINC000036294576 213082000 /nfs/dbraw/zinc/08/20/00/213082000.db2.gz OTGQIQQTPXJQRG-UHFFFAOYSA-N 0 0 327.553 5.356 50 30 endogenous,in-man EKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1F ZINC000036333289 213083745 /nfs/dbraw/zinc/08/37/45/213083745.db2.gz PTMIVIVASDYPPJ-UHFFFAOYSA-N 0 0 348.402 5.101 50 30 EKEARN C(=C/c1ccnc2ccccc12)\c1ccc(/N=C/c2cccs2)cc1 ZINC000036382767 563920273 /nfs/dbraw/zinc/92/02/73/563920273.db2.gz AOLBXZCWNSLYQG-USOSQLFRSA-N 0 0 340.451 6.217 50 30 EKEARN C/C(=N\OC(=O)c1ccccc1C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000036644268 518470451 /nfs/dbraw/zinc/47/04/51/518470451.db2.gz HRYGUUMDPYFCSH-LFVJCYFKSA-N 0 0 341.410 5.147 50 30 EKEARN O=C(O/N=C(\c1cc2ccccc2o1)c1ccccc1)c1cccs1 ZINC000036644270 526413466 /nfs/dbraw/zinc/41/34/66/526413466.db2.gz NDRICJFHEPJVAY-VZCXRCSSSA-N 0 0 347.395 5.104 50 30 EKEARN C/C(=N\OC(=O)c1ccc(C)cc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000036644277 213107027 /nfs/dbraw/zinc/10/70/27/213107027.db2.gz UTXJUGFWOOJOBB-LFVJCYFKSA-N 0 0 341.410 5.147 50 30 EKEARN Cc1ccc(C(=O)/C=C/c2cc(C)c(OCc3ccccn3)c(C)c2)o1 ZINC000036832242 526014775 /nfs/dbraw/zinc/01/47/75/526014775.db2.gz ZZQAYWWCKUGHGL-CMDGGOBGSA-N 0 0 347.414 5.075 50 30 EKEARN Cc1ccc(Oc2cc(C)nc(SCc3ccccc3C#N)n2)cc1 ZINC000037510292 213153164 /nfs/dbraw/zinc/15/31/64/213153164.db2.gz BCFUZHWUZRWOGX-UHFFFAOYSA-N 0 0 347.443 5.050 50 30 EKEARN Cc1cccc(Oc2cc(C)nc(SCc3ccccc3C#N)n2)c1 ZINC000037510421 213153411 /nfs/dbraw/zinc/15/34/11/213153411.db2.gz WZTOIRFKNSUNOG-UHFFFAOYSA-N 0 0 347.443 5.050 50 30 EKEARN C=CCN(CC=C)c1ccc(/C=C/c2ccnc3ccccc23)cc1 ZINC000037866041 202048683 /nfs/dbraw/zinc/04/86/83/202048683.db2.gz HTEBVNDPDZKFIX-FMIVXFBMSA-N 0 0 326.443 5.584 50 30 EKEARN CCCCCCCCCCCCCCCNC(=O)C1CCCCC1 ZINC000038140992 520006163 /nfs/dbraw/zinc/00/61/63/520006163.db2.gz VMFXYTSKMWPHQH-UHFFFAOYSA-N 0 0 337.592 6.774 50 30 in-vitro EKEARN CC(C)(C)c1ccc(C(=O)O/N=C2\C(C)(C)[C@H]3CC[C@]2(C)C3)cc1 ZINC000038267521 213206036 /nfs/dbraw/zinc/20/60/36/213206036.db2.gz QXORIDJTWWOMPZ-FPSPGDJBSA-N 0 0 327.468 5.343 50 30 EKEARN C=CCc1c2c(ccc1O)n(-c1ccc(Cl)cc1)c(C)c2C(C)=O ZINC000038792296 213227255 /nfs/dbraw/zinc/22/72/55/213227255.db2.gz SWWVASCWBUOCQN-UHFFFAOYSA-N 0 0 339.822 5.229 50 30 EKEARN CCOP(=O)(CCCCCCCCCCCCS)OCC ZINC000039337623 213235056 /nfs/dbraw/zinc/23/50/56/213235056.db2.gz JAVFXEXYSKLPHD-UHFFFAOYSA-N 0 0 338.494 6.083 50 30 EKEARN COc1ccc2ccccc2c1C[C@@H](C#N)c1nc2ccccc2s1 ZINC000039391587 213235795 /nfs/dbraw/zinc/23/57/95/213235795.db2.gz DCUKDRXQVVFUFV-HNNXBMFYSA-N 0 0 344.439 5.308 50 30 EKEARN COc1ccc2ccccc2c1C[C@H](C#N)c1nc2ccccc2s1 ZINC000039391589 213236917 /nfs/dbraw/zinc/23/69/17/213236917.db2.gz DCUKDRXQVVFUFV-OAHLLOKOSA-N 0 0 344.439 5.308 50 30 EKEARN COc1ccc(-c2cc(-c3ccc(C)c(C)c3)[nH]c(=S)c2C#N)cc1 ZINC000039440141 213235881 /nfs/dbraw/zinc/23/58/81/213235881.db2.gz QDIZCRFWFPAECW-UHFFFAOYSA-N 0 0 346.455 5.201 50 30 EKEARN O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc2ccccc2c1 ZINC000040139533 564085916 /nfs/dbraw/zinc/08/59/16/564085916.db2.gz REXINDONNDGYDN-ZHACJKMWSA-N 0 0 342.423 5.254 50 30 EKEARN CCCc1cc(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)sc1C ZINC000040150593 258059780 /nfs/dbraw/zinc/05/97/80/258059780.db2.gz NHOCKOIGHQFTFU-INIZCTEOSA-N 0 0 334.444 5.047 50 30 EKEARN CCCc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)sc1C ZINC000040150594 258059868 /nfs/dbraw/zinc/05/98/68/258059868.db2.gz NHOCKOIGHQFTFU-MRXNPFEDSA-N 0 0 334.444 5.047 50 30 EKEARN CCOc1cc(/C=C/C(=O)c2cc3cc(Cl)ccc3o2)ccc1O ZINC000040161443 213276488 /nfs/dbraw/zinc/27/64/88/213276488.db2.gz VGIYZNRAKQJAQC-QPJJXVBHSA-N 0 0 342.778 5.087 50 30 EKEARN O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000040448136 213305080 /nfs/dbraw/zinc/30/50/80/213305080.db2.gz DIZPVCZVBKQRAE-ZZXKWVIFSA-N 0 0 345.147 5.908 50 30 EKEARN Oc1ccc(Cl)cc1/C=N/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000040477029 213313175 /nfs/dbraw/zinc/31/31/75/213313175.db2.gz LCJIHHMYHUBAEU-IFRROFPPSA-N 0 0 334.124 5.468 50 30 EKEARN C=C([C@H](CSc1ccccc1)C(C)C)S(=O)(=O)c1ccccc1 ZINC000043198926 564076208 /nfs/dbraw/zinc/07/62/08/564076208.db2.gz AZJYTLMYFJBLLL-LJQANCHMSA-N 0 0 346.517 5.039 50 30 EKEARN C=C([C@@H](CSc1ccccc1)C(C)C)S(=O)(=O)c1ccccc1 ZINC000043198927 564076209 /nfs/dbraw/zinc/07/62/09/564076209.db2.gz AZJYTLMYFJBLLL-IBGZPJMESA-N 0 0 346.517 5.039 50 30 EKEARN C=CCCCC[C@]12CC[C@](CCCCC=C)(CCCC1)S2(=O)=O ZINC000043199197 564076192 /nfs/dbraw/zinc/07/61/92/564076192.db2.gz SPLZRKVSOVRDPY-BGYRXZFFSA-N 0 0 338.557 5.739 50 30 EKEARN CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](C)CO ZINC000043442977 563925679 /nfs/dbraw/zinc/92/56/79/563925679.db2.gz IPVYNYWIRWMRHH-PISNEZEASA-N 0 0 339.564 5.521 50 30 in-vitro EKEARN CCCCCCCCCCCCCC(=O)Nc1ccc(OC)cc1 ZINC000043524336 519988732 /nfs/dbraw/zinc/98/87/32/519988732.db2.gz OFXYUUZFRJEEKP-UHFFFAOYSA-N 0 0 333.516 6.335 50 30 EKEARN CCCCCCCCCCCCCCCC(=O)Nc1ccccc1 ZINC000043677092 519991314 /nfs/dbraw/zinc/99/13/14/519991314.db2.gz VENJCACPSJGPCM-UHFFFAOYSA-N 0 0 331.544 7.106 50 30 EKEARN CCCCCCCCCCCCCCCC(=O)N1CCOCC1 ZINC000043706326 519988325 /nfs/dbraw/zinc/98/83/25/519988325.db2.gz CSXWLOVEZJWZMB-UHFFFAOYSA-N 0 0 325.537 5.327 50 30 EKEARN CCCCCCCCCCCCCCCC(=O)Nc1ccc(O)cc1 ZINC000043706506 519990470 /nfs/dbraw/zinc/99/04/70/519990470.db2.gz XIOHVMVLOJUORA-UHFFFAOYSA-N 0 0 347.543 6.812 50 30 EKEARN COc1cc2nc(/N=C/c3ccc4ccccc4c3)sc2cc1OC ZINC000043761129 564076206 /nfs/dbraw/zinc/07/62/06/564076206.db2.gz ZMVKLZQOLCZXNQ-CIAFOILYSA-N 0 0 348.427 5.217 50 30 EKEARN CO/N=C(\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1CCCCC1 ZINC000043761166 564076212 /nfs/dbraw/zinc/07/62/12/564076212.db2.gz RTMCZBPXYLIDCN-NMWGTECJSA-N 0 0 345.527 5.918 50 30 EKEARN CC(N=Nc1nc(-c2cccs2)cs1)c1ccc(Cl)cc1 ZINC000043761247 213596595 /nfs/dbraw/zinc/59/65/95/213596595.db2.gz OOXAXFCASBZQJR-VCHYOVAHSA-N 0 0 333.869 5.361 50 30 EKEARN CC(N=Nc1nc(-c2ccccc2)cs1)c1cccc2ccccc21 ZINC000043761282 518467379 /nfs/dbraw/zinc/46/73/79/518467379.db2.gz ZCFVWMWYTALSNL-HZHRSRAPSA-N 0 0 343.455 5.799 50 30 EKEARN C[C@@H]1CC(N=Nc2nc(-c3ccc(Cl)cc3)cs2)CC(C)(C)C1 ZINC000043761284 564076188 /nfs/dbraw/zinc/07/61/88/564076188.db2.gz NFWXCBLKVYEXAZ-GHTHLWOPSA-N 0 0 347.915 6.078 50 30 EKEARN C[C@H]1CC(N=Nc2nc(-c3ccc(Cl)cc3)cs2)CC(C)(C)C1 ZINC000043761285 564076205 /nfs/dbraw/zinc/07/62/05/564076205.db2.gz NFWXCBLKVYEXAZ-DRPFOCBESA-N 0 0 347.915 6.078 50 30 EKEARN Cc1ccc(-c2csc(N=NC3C[C@H](C)CC(C)(C)C3)n2)cc1 ZINC000043761286 564076203 /nfs/dbraw/zinc/07/62/03/564076203.db2.gz AMZGGNJKIIMMGG-IKBYJFNHSA-N 0 0 327.497 5.155 50 30 EKEARN Cc1ccc(-c2csc(N=NC3C[C@@H](C)CC(C)(C)C3)n2)cc1 ZINC000043761287 564076216 /nfs/dbraw/zinc/07/62/16/564076216.db2.gz AMZGGNJKIIMMGG-HDOZFUISSA-N 0 0 327.497 5.155 50 30 EKEARN Cc1ccc(-c2csc(N=NC(C)c3c(C)cc(C)cc3C)n2)cc1 ZINC000043761310 564076207 /nfs/dbraw/zinc/07/62/07/564076207.db2.gz KEGSOJHXNGUJPJ-HAVVHWLPSA-N 0 0 349.503 5.302 50 30 EKEARN C=C[C@@]1(C)C[C@H](OCc2ccccc2)C[C@@H](Sc2ccccc2)O1 ZINC000043762676 564076227 /nfs/dbraw/zinc/07/62/27/564076227.db2.gz LUUWVQCMFDENCK-NRSPTQNISA-N 0 0 340.488 5.445 50 30 EKEARN C=CC[C@](C)(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1 ZINC000043763676 564076240 /nfs/dbraw/zinc/07/62/40/564076240.db2.gz JFMFLSGXZQXVCM-KHHDVDEJSA-N 0 0 328.496 5.524 50 30 EKEARN C=CC[C@@](C)(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccccc1 ZINC000043763677 564076246 /nfs/dbraw/zinc/07/62/46/564076246.db2.gz JFMFLSGXZQXVCM-UGGKCQTMSA-N 0 0 328.496 5.524 50 30 EKEARN C=CCn1c(-c2ccc(C)cc2)cnc1SCc1ccc(F)cc1 ZINC000044085735 564059523 /nfs/dbraw/zinc/05/95/23/564059523.db2.gz FZTMOJLXPITAHJ-UHFFFAOYSA-N 0 0 338.451 5.476 50 30 EKEARN C=CCSc1ncc(-c2ccc(OC)cc2)n1-c1ccccc1C ZINC000044086722 564059517 /nfs/dbraw/zinc/05/95/17/564059517.db2.gz ZTACXOQNVXCREE-UHFFFAOYSA-N 0 0 336.460 5.134 50 30 EKEARN Cc1ccc(-c2cnc(SCC#N)n2-c2cccc(Cl)c2)cc1 ZINC000044087287 564059526 /nfs/dbraw/zinc/05/95/26/564059526.db2.gz WJQOLYADQLUXPX-UHFFFAOYSA-N 0 0 339.851 5.117 50 30 EKEARN C=CCSc1ncc(-c2ccc(C)cc2)n1-c1cccc(Cl)c1 ZINC000044087289 204295543 /nfs/dbraw/zinc/29/55/43/204295543.db2.gz RFRPPVHQJLWGPI-UHFFFAOYSA-N 0 0 340.879 5.779 50 30 EKEARN C=CCSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000044087459 564059537 /nfs/dbraw/zinc/05/95/37/564059537.db2.gz NUHIVNGYWJYMEW-UHFFFAOYSA-N 0 0 326.852 5.471 50 30 EKEARN Cc1ccc(-c2cnc(SCC#N)n2-c2ccc(Cl)cc2)cc1 ZINC000044087550 564059512 /nfs/dbraw/zinc/05/95/12/564059512.db2.gz YCTZFJNTACEETM-UHFFFAOYSA-N 0 0 339.851 5.117 50 30 EKEARN C=CCSc1ncc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 ZINC000044087552 204296065 /nfs/dbraw/zinc/29/60/65/204296065.db2.gz ZAYNZIQFBNNMOD-UHFFFAOYSA-N 0 0 340.879 5.779 50 30 EKEARN N#CCCC(CCC#N)(C(=O)c1ccccc1Cl)c1ccccc1 ZINC000044125560 563926156 /nfs/dbraw/zinc/92/61/56/563926156.db2.gz CCFWRGNIKFGTIZ-UHFFFAOYSA-N 0 0 336.822 5.068 50 30 EKEARN CCCCCCCCCCCCCC(=O)Nc1ccccc1Cl ZINC000044280616 564076243 /nfs/dbraw/zinc/07/62/43/564076243.db2.gz SCXQDRSSLHHGGN-UHFFFAOYSA-N 0 0 337.935 6.980 50 30 EKEARN Cc1ccc(NC(=S)Nc2cccc(C#Cc3cccs3)c2)cc1 ZINC000044346906 563995122 /nfs/dbraw/zinc/99/51/22/563995122.db2.gz VNPRDORZCUBSOL-UHFFFAOYSA-N 0 0 348.496 5.265 50 30 EKEARN CCCCCCCC/C=C\CCCCCCCc1cc(O)cc(O)c1 ZINC000044387328 563926394 /nfs/dbraw/zinc/92/63/94/563926394.db2.gz DQSWQRFGZIJUCI-KTKRTIGZSA-N 0 0 346.555 7.288 50 30 biogenic,in-vitro EKEARN CC1(C)CC(=CC=Nc2ccccc2)C=C(C=CNc2ccccc2)C1 ZINC000044672318 563926522 /nfs/dbraw/zinc/92/65/22/563926522.db2.gz JTEKENXRFZWTRU-LMEGWDGOSA-N 0 0 342.486 6.688 50 30 EKEARN C/C(=N/OC(=O)c1ccccc1C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000044790622 564060377 /nfs/dbraw/zinc/06/03/77/564060377.db2.gz HRYGUUMDPYFCSH-JLPGSUDCSA-N 0 0 341.410 5.147 50 30 EKEARN C/C(=N/OC(=O)c1ccc(C)cc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000044790630 564060356 /nfs/dbraw/zinc/06/03/56/564060356.db2.gz UTXJUGFWOOJOBB-JLPGSUDCSA-N 0 0 341.410 5.147 50 30 EKEARN Oc1ccc(Cl)cc1/C=N\c1ccc(Cl)cc1C(F)(F)F ZINC000044835798 564027260 /nfs/dbraw/zinc/02/72/60/564027260.db2.gz IHQBDWZKLACLPU-SCDVKCJHSA-N 0 0 334.124 5.468 50 30 EKEARN CCOc1cccc(/C=N/c2ccc(OCc3ccccc3)cc2)c1O ZINC000044835985 202527338 /nfs/dbraw/zinc/52/73/38/202527338.db2.gz GFTGEBUKEQTTFN-HZHRSRAPSA-N 0 0 347.414 5.121 50 30 EKEARN CCOc1cccc(/C=N/c2ccc(Cl)c(C(F)(F)F)c2)c1O ZINC000044836053 563926723 /nfs/dbraw/zinc/92/67/23/563926723.db2.gz JIHJQBKLGFXOLV-ZVBGSRNCSA-N 0 0 343.732 5.214 50 30 EKEARN CCOc1cccc(/C=N/c2ccc(Cl)cc2C(F)(F)F)c1O ZINC000044836057 563926703 /nfs/dbraw/zinc/92/67/03/563926703.db2.gz SOXMVJFSDSKQCI-ZVBGSRNCSA-N 0 0 343.732 5.214 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(C(C)C)cc2)cc1 ZINC000044842911 564027370 /nfs/dbraw/zinc/02/73/70/564027370.db2.gz VBARDUOUOVYKOK-CCEZHUSRSA-N 0 0 337.463 5.797 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2cccc3c2CCCC3)cc1 ZINC000044842921 564027382 /nfs/dbraw/zinc/02/73/82/564027382.db2.gz NUBBNELBFTYWGP-FOCLMDBBSA-N 0 0 349.474 5.553 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2ccccc2OCC)cc1 ZINC000044842954 564027395 /nfs/dbraw/zinc/02/73/95/564027395.db2.gz NQHYKOCSUYKWNS-CCEZHUSRSA-N 0 0 339.435 5.073 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(OCC)cc2)cc1 ZINC000044842959 564027392 /nfs/dbraw/zinc/02/73/92/564027392.db2.gz WQZKPJJCHJTAPT-CCEZHUSRSA-N 0 0 339.435 5.073 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2cccc(SC)c2)cc1 ZINC000044842979 564027401 /nfs/dbraw/zinc/02/74/01/564027401.db2.gz GOMMPQXNVGBFEG-OUKQBFOZSA-N 0 0 341.476 5.396 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2ccccc2Cl)cc1 ZINC000044843111 564027397 /nfs/dbraw/zinc/02/73/97/564027397.db2.gz PMAXBGPGAKMQOO-OUKQBFOZSA-N 0 0 329.827 5.327 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2cccc(Cl)c2)cc1 ZINC000044843116 564027419 /nfs/dbraw/zinc/02/74/19/564027419.db2.gz SAXQZKCVKRCVIV-VAWYXSNFSA-N 0 0 329.827 5.327 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(Cl)cc2)cc1 ZINC000044843121 564027405 /nfs/dbraw/zinc/02/74/05/564027405.db2.gz BKHJLXUUPZSUOX-OUKQBFOZSA-N 0 0 329.827 5.327 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(F)cc2Cl)cc1 ZINC000044843160 564027403 /nfs/dbraw/zinc/02/74/03/564027403.db2.gz OFVBKXYLSOSGDS-ZHACJKMWSA-N 0 0 347.817 5.467 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2cc(F)ccc2Cl)cc1 ZINC000044843164 564027396 /nfs/dbraw/zinc/02/73/96/564027396.db2.gz JHRJBCGGOUGKOV-ZHACJKMWSA-N 0 0 347.817 5.467 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(F)c(Cl)c2)cc1 ZINC000044843169 564027390 /nfs/dbraw/zinc/02/73/90/564027390.db2.gz ILTBVGOYQNOPLY-ZHACJKMWSA-N 0 0 347.817 5.467 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2cccc(Cl)c2F)cc1 ZINC000044843173 564027407 /nfs/dbraw/zinc/02/74/07/564027407.db2.gz BRJZIOYUCQGSME-VAWYXSNFSA-N 0 0 347.817 5.467 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(Cl)cc2F)cc1 ZINC000044843177 564027409 /nfs/dbraw/zinc/02/74/09/564027409.db2.gz PZXUPIXIPZGPEJ-ZHACJKMWSA-N 0 0 347.817 5.467 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(C)cc2F)cc1 ZINC000044843215 564027391 /nfs/dbraw/zinc/02/73/91/564027391.db2.gz FCILYEHXCLBFIA-VAWYXSNFSA-N 0 0 327.399 5.122 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(C)c(F)c2)cc1 ZINC000044843220 564027414 /nfs/dbraw/zinc/02/74/14/564027414.db2.gz SAOVZYUYMQBMQS-VAWYXSNFSA-N 0 0 327.399 5.122 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2cc(F)ccc2C)cc1 ZINC000044843225 564027393 /nfs/dbraw/zinc/02/73/93/564027393.db2.gz SLPIEXYCYNXJBK-VAWYXSNFSA-N 0 0 327.399 5.122 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2cccc(Cl)c2C)cc1 ZINC000044843229 564027406 /nfs/dbraw/zinc/02/74/06/564027406.db2.gz SAMGEGBFIGONFN-OUKQBFOZSA-N 0 0 343.854 5.636 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2cc(Cl)ccc2C)cc1 ZINC000044843234 564027394 /nfs/dbraw/zinc/02/73/94/564027394.db2.gz ASGZPRFPYLBGJE-VAWYXSNFSA-N 0 0 343.854 5.636 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(F)c(C)c2)cc1 ZINC000044843247 564027400 /nfs/dbraw/zinc/02/74/00/564027400.db2.gz AONOKYGGUWHPKH-VAWYXSNFSA-N 0 0 327.399 5.122 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(C)cc2Cl)cc1 ZINC000044843252 564027399 /nfs/dbraw/zinc/02/73/99/564027399.db2.gz XFIKDDSETCJYAS-VAWYXSNFSA-N 0 0 343.854 5.636 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(C)c(Cl)c2)cc1 ZINC000044843256 564027410 /nfs/dbraw/zinc/02/74/10/564027410.db2.gz XTIDXPSFDPPCHN-VAWYXSNFSA-N 0 0 343.854 5.636 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(SC)cc2)cc1 ZINC000044843316 564027418 /nfs/dbraw/zinc/02/74/18/564027418.db2.gz OFFZJKUNDXZSKO-BUHFOSPRSA-N 0 0 341.476 5.396 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2cc(C)ccc2F)cc1 ZINC000044843321 564027417 /nfs/dbraw/zinc/02/74/17/564027417.db2.gz UOPBAYPMXAIBPP-VAWYXSNFSA-N 0 0 327.399 5.122 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(Cl)c(C)c2)cc1 ZINC000044843326 564027438 /nfs/dbraw/zinc/02/74/38/564027438.db2.gz SEQHMGSCTZEHHL-VAWYXSNFSA-N 0 0 343.854 5.636 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2cc(Cl)ccc2F)cc1 ZINC000044843337 564027428 /nfs/dbraw/zinc/02/74/28/564027428.db2.gz KHBAQYLGWYOIAK-ZHACJKMWSA-N 0 0 347.817 5.467 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2cccc(F)c2C)cc1 ZINC000044843342 564027440 /nfs/dbraw/zinc/02/74/40/564027440.db2.gz FRFCUGVERYVICE-OUKQBFOZSA-N 0 0 327.399 5.122 50 30 EKEARN Cc1cc(C)c(NC=CC(=O)c2ccc(Br)cc2)c(C)c1 ZINC000044843371 564027439 /nfs/dbraw/zinc/02/74/39/564027439.db2.gz VEPHTPREKAGAKA-CMDGGOBGSA-N 0 0 344.252 5.183 50 30 EKEARN CC(C)c1cccc(NC=CC(=O)c2ccc(Br)cc2)c1 ZINC000044843380 564027442 /nfs/dbraw/zinc/02/74/42/564027442.db2.gz FILJCEUOUWHIQV-ZHACJKMWSA-N 0 0 344.252 5.381 50 30 EKEARN Cc1ccc(C(=O)C=CNc2ccc(Oc3ccccc3)cc2)cc1C ZINC000044843932 564027445 /nfs/dbraw/zinc/02/74/45/564027445.db2.gz JXVYBEPPSWKSQX-CCEZHUSRSA-N 0 0 343.426 5.904 50 30 EKEARN Cc1ccc(C(=O)C=CNc2ccc(Br)cc2F)cc1C ZINC000044844136 564027453 /nfs/dbraw/zinc/02/74/53/564027453.db2.gz NRYBBAJEBSTSJF-BQYQJAHWSA-N 0 0 348.215 5.014 50 30 EKEARN Cc1ccc(C(=O)C=CNc2ccc(F)cc2Br)cc1C ZINC000044844141 564027474 /nfs/dbraw/zinc/02/74/74/564027474.db2.gz PRLDCKBXRVOGMA-BQYQJAHWSA-N 0 0 348.215 5.014 50 30 EKEARN Cc1ccc(C(=O)C=CNc2cccc(OC(F)(F)F)c2)cc1C ZINC000044844160 564027469 /nfs/dbraw/zinc/02/74/69/564027469.db2.gz HRZKUJVFWHNRKM-CMDGGOBGSA-N 0 0 335.325 5.011 50 30 EKEARN Cc1ccc(C(=O)C=CNc2ccc(OC(F)(F)F)cc2)cc1C ZINC000044844165 564027481 /nfs/dbraw/zinc/02/74/81/564027481.db2.gz CUEAHYYJAVHVEF-MDZDMXLPSA-N 0 0 335.325 5.011 50 30 EKEARN Cc1ccc(C(=O)C=CNc2ccc(Br)cc2C)cc1C ZINC000044844204 564027458 /nfs/dbraw/zinc/02/74/58/564027458.db2.gz SGFUQZZEUPHUAI-CMDGGOBGSA-N 0 0 344.252 5.183 50 30 EKEARN Cc1ccc(C(=O)C=CNc2ccc(Br)c(C)c2)cc1C ZINC000044844209 564027463 /nfs/dbraw/zinc/02/74/63/564027463.db2.gz GWLZNQBKEBSNNI-CMDGGOBGSA-N 0 0 344.252 5.183 50 30 EKEARN Cc1ccc(NC=CC(=O)c2ccc(C)c(C)c2)c(Br)c1 ZINC000044844229 564027460 /nfs/dbraw/zinc/02/74/60/564027460.db2.gz OMDIJEIDAMGUKM-CMDGGOBGSA-N 0 0 344.252 5.183 50 30 EKEARN COc1cc(Cl)c(C)cc1NC=CC(=O)c1ccc(C)c(C)c1 ZINC000044844254 564027468 /nfs/dbraw/zinc/02/74/68/564027468.db2.gz QEXAYLBMGZBCJQ-BQYQJAHWSA-N 0 0 329.827 5.082 50 30 EKEARN Cc1ccc(C)c(C(=O)C=CNc2ccc(Oc3ccccc3)cc2)c1 ZINC000044844401 564027457 /nfs/dbraw/zinc/02/74/57/564027457.db2.gz MVOFVUKVCWPXEC-CCEZHUSRSA-N 0 0 343.426 5.904 50 30 EKEARN Cc1ccc(C)c(C(=O)C=CNc2ccc(OC(F)(F)F)cc2)c1 ZINC000044844568 564027464 /nfs/dbraw/zinc/02/74/64/564027464.db2.gz SIHXIGGSYJKGNH-MDZDMXLPSA-N 0 0 335.325 5.011 50 30 EKEARN Cc1ccc(C)c(C(=O)C=CNc2ccc(Br)cc2C)c1 ZINC000044844603 564027455 /nfs/dbraw/zinc/02/74/55/564027455.db2.gz QPCYHLZBUZDGCG-CMDGGOBGSA-N 0 0 344.252 5.183 50 30 EKEARN Cc1ccc(C)c(C(=O)C=CNc2ccc(Br)c(C)c2)c1 ZINC000044844608 564027477 /nfs/dbraw/zinc/02/74/77/564027477.db2.gz REIASBSOWOLHNK-CMDGGOBGSA-N 0 0 344.252 5.183 50 30 EKEARN CC(C)c1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1 ZINC000044974967 564027894 /nfs/dbraw/zinc/02/78/94/564027894.db2.gz HRLFDINBDLKLFV-VAWYXSNFSA-N 0 0 344.252 5.381 50 30 EKEARN SCc1cc(-c2ccccc2)c2ccccc2c1-c1ccccc1 ZINC000045069194 564076265 /nfs/dbraw/zinc/07/62/65/564076265.db2.gz JNLMEYOLWSOGRZ-UHFFFAOYSA-N 0 0 326.464 6.604 50 30 EKEARN C=CCc1ccccc1Oc1nc2ccccc2nc1N1CCCCC1 ZINC000045900718 564028770 /nfs/dbraw/zinc/02/87/70/564028770.db2.gz VWGKQWHKSNXDLV-UHFFFAOYSA-N 0 0 345.446 5.141 50 30 EKEARN Cc1cc(-c2nc3ccccc3o2)ccc1/N=C/c1ccc(Cl)cc1 ZINC000045951646 213768097 /nfs/dbraw/zinc/76/80/97/213768097.db2.gz AOFCVTCLWQTDAW-YDZHTSKRSA-N 0 0 346.817 6.207 50 30 EKEARN Cc1ccc(CN=C2Nc3ccccc3NC23CCCCCC3)cc1 ZINC000046153012 563362352 /nfs/dbraw/zinc/36/23/52/563362352.db2.gz DTSIKZLCJTXIJF-UHFFFAOYSA-N 0 0 333.479 5.524 50 30 EKEARN Cc1ccccc1CN=C1Nc2ccccc2NC12CCCCCC2 ZINC000046153018 563362368 /nfs/dbraw/zinc/36/23/68/563362368.db2.gz ZRUJBQNEOLHUEY-UHFFFAOYSA-N 0 0 333.479 5.524 50 30 EKEARN Fc1ccc(CN=C2Nc3ccccc3NC23CCCCCC3)cc1 ZINC000046153021 563362321 /nfs/dbraw/zinc/36/23/21/563362321.db2.gz UWMBJKGVKFMMQO-UHFFFAOYSA-N 0 0 337.442 5.355 50 30 EKEARN Cc1cccc(CN=C2Nc3ccccc3NC23CCCCCC3)c1 ZINC000046153036 563362347 /nfs/dbraw/zinc/36/23/47/563362347.db2.gz KJUHAAXEGDTGPW-UHFFFAOYSA-N 0 0 333.479 5.524 50 30 EKEARN Fc1cccc(CN=C2Nc3ccccc3NC23CCCCCC3)c1 ZINC000046153042 563362302 /nfs/dbraw/zinc/36/23/02/563362302.db2.gz CNQNHXXKVYPMRO-UHFFFAOYSA-N 0 0 337.442 5.355 50 30 EKEARN COc1cccc(CN=C2Nc3ccccc3NC23CCCCCC3)c1 ZINC000046153045 563362362 /nfs/dbraw/zinc/36/23/62/563362362.db2.gz FXWQYOWJTHTYEN-UHFFFAOYSA-N 0 0 349.478 5.224 50 30 EKEARN Cc1cc2c(cc1C)NC1(CCCCCC1)C(=NCc1ccccc1)N2 ZINC000046153057 563362316 /nfs/dbraw/zinc/36/23/16/563362316.db2.gz CHZOTFDRRPQHSE-UHFFFAOYSA-N 0 0 347.506 5.833 50 30 EKEARN O=C(/C(=C/c1ccsc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000048333112 564031064 /nfs/dbraw/zinc/03/10/64/564031064.db2.gz KPSRBORSTIOFSX-VBKFSLOCSA-N 0 0 330.412 5.048 50 30 EKEARN CC#CCCCCCCCC(=O)Nc1cccc(Br)c1 ZINC000048534341 564129318 /nfs/dbraw/zinc/12/93/18/564129318.db2.gz QSTNPZZMLGEUCD-UHFFFAOYSA-N 0 0 336.273 5.142 50 30 EKEARN CC#CCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl ZINC000048534519 564129314 /nfs/dbraw/zinc/12/93/14/564129314.db2.gz LEMMMHCVAGLPLT-UHFFFAOYSA-N 0 0 326.267 5.686 50 30 EKEARN CC#CCCCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000048534522 564129312 /nfs/dbraw/zinc/12/93/12/564129312.db2.gz REZCKAGLMRBRST-UHFFFAOYSA-N 0 0 326.267 5.686 50 30 EKEARN CC#CCCCCCCCC(=O)Nc1ccccc1C(F)(F)F ZINC000048534524 564129325 /nfs/dbraw/zinc/12/93/25/564129325.db2.gz FYEORLHZGHXGNF-UHFFFAOYSA-N 0 0 325.374 5.398 50 30 EKEARN CCCN=C(Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 ZINC000049772138 564032859 /nfs/dbraw/zinc/03/28/59/564032859.db2.gz SPHJZMRRWPHPBV-UHFFFAOYSA-N 0 0 340.776 5.437 50 30 EKEARN CN=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000049772140 214032043 /nfs/dbraw/zinc/03/20/43/214032043.db2.gz XAXWBWMONZQJKC-UHFFFAOYSA-N 0 0 346.274 5.022 50 30 EKEARN CCCCCc1ccc(C#Cc2ccc(Br)cc2)c(F)c1 ZINC000049772164 214031555 /nfs/dbraw/zinc/03/15/55/214031555.db2.gz YWEGPLCMHABFLH-UHFFFAOYSA-N 0 0 345.255 5.721 50 30 EKEARN CCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1 ZINC000049881936 563983052 /nfs/dbraw/zinc/98/30/52/563983052.db2.gz BBGNINPPDHJETF-UHFFFAOYSA-N 0 0 348.571 7.512 50 30 endogenous,in-man EKEARN O=C(/C(=C\c1ccccc1)c1nc2ccccc2[nH]1)c1cccs1 ZINC000050550430 214059536 /nfs/dbraw/zinc/05/95/36/214059536.db2.gz KKOKJOPSPLDIHI-FYWRMAATSA-N 0 0 330.412 5.048 50 30 EKEARN CCCCCCCCCn1c2ccccc2nc1Cc1ccccc1 ZINC000050704756 214067127 /nfs/dbraw/zinc/06/71/27/214067127.db2.gz VRUPLGGZPHYKFS-UHFFFAOYSA-N 0 0 334.507 6.378 50 30 EKEARN C=C(C)Cn1c(CCCCCCCCCCC)nc2ccccc21 ZINC000050704861 563991922 /nfs/dbraw/zinc/99/19/22/563991922.db2.gz VCUUNPSRLDGBJG-UHFFFAOYSA-N 0 0 326.528 6.686 50 30 EKEARN CCCCCCCCCCn1c2ccccc2nc1Cc1ccccc1 ZINC000050704974 214066853 /nfs/dbraw/zinc/06/68/53/214066853.db2.gz CHFJIQWZJJADDN-UHFFFAOYSA-N 0 0 348.534 6.768 50 30 EKEARN CCCCCCCCn1c(COc2ccccc2)nc2ccccc21 ZINC000050860296 214072194 /nfs/dbraw/zinc/07/21/94/214072194.db2.gz RUIAHZDXGXRIAC-UHFFFAOYSA-N 0 0 336.479 5.976 50 30 EKEARN CCCCCCCCCCCn1c2ccccc2nc1-c1ccccc1 ZINC000050861310 202634559 /nfs/dbraw/zinc/63/45/59/202634559.db2.gz KRZHWIXZWOJTRG-UHFFFAOYSA-N 0 0 348.534 7.234 50 30 EKEARN CCCCCCCCCCn1c2ccccc2nc1-c1ccccc1 ZINC000050861312 214072026 /nfs/dbraw/zinc/07/20/26/214072026.db2.gz JHECDMSYJNBVKL-UHFFFAOYSA-N 0 0 334.507 6.844 50 30 EKEARN CCCCCCCn1c2ccccc2nc1SCc1ccccc1 ZINC000050861537 214071558 /nfs/dbraw/zinc/07/15/58/214071558.db2.gz WRHYDFBXVYMSEJ-UHFFFAOYSA-N 0 0 338.520 6.299 50 30 EKEARN CCCCCCCNC(=O)c1ccc2c(c1)ncn2-c1cccc(C)c1 ZINC000050861897 214072377 /nfs/dbraw/zinc/07/23/77/214072377.db2.gz YYVWMJWDCDVNHA-UHFFFAOYSA-N 0 0 349.478 5.034 50 30 EKEARN O=C(/C(=C\c1ccsc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000051042302 214076895 /nfs/dbraw/zinc/07/68/95/214076895.db2.gz KPSRBORSTIOFSX-FOWTUZBSSA-N 0 0 330.412 5.048 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2c(C)cc(C)cc2C)cc1 ZINC000051318525 564024462 /nfs/dbraw/zinc/02/44/62/564024462.db2.gz ULNAOYJWYXSYBP-VAWYXSNFSA-N 0 0 337.463 5.599 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2cccc(C(C)C)c2)cc1 ZINC000051318527 564024479 /nfs/dbraw/zinc/02/44/79/564024479.db2.gz IKUYLTAVDONMKL-BUHFOSPRSA-N 0 0 337.463 5.797 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(F)cc2C)cc1 ZINC000051318543 564024492 /nfs/dbraw/zinc/02/44/92/564024492.db2.gz CUOUYUKFCFFKQE-VAWYXSNFSA-N 0 0 327.399 5.122 50 30 EKEARN CCCCOc1ccc(C(=O)C=CNc2ccc(Cl)cc2C)cc1 ZINC000051318544 564024509 /nfs/dbraw/zinc/02/45/09/564024509.db2.gz HAXRPRAQCZYOAU-VAWYXSNFSA-N 0 0 343.854 5.636 50 30 EKEARN CC(C)c1ccc(C(=O)C=CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000051318678 214088603 /nfs/dbraw/zinc/08/86/03/214088603.db2.gz CZTRLWZZYNJIBS-MDZDMXLPSA-N 0 0 334.246 5.925 50 30 EKEARN CC(C)c1ccc(C(=O)C=CNc2cccc(Br)c2)cc1 ZINC000051318679 564024495 /nfs/dbraw/zinc/02/44/95/564024495.db2.gz FJYQTAJDFSRSRA-ZHACJKMWSA-N 0 0 344.252 5.381 50 30 EKEARN CC(C)c1ccc(C(=O)C=CNc2ccc(Br)cc2)cc1 ZINC000051318681 564024510 /nfs/dbraw/zinc/02/45/10/564024510.db2.gz KQHXZBQYMQQODD-VAWYXSNFSA-N 0 0 344.252 5.381 50 30 EKEARN CC(C)c1ccc(C(=O)C=CNc2ccccc2C(F)(F)F)cc1 ZINC000051318695 214088796 /nfs/dbraw/zinc/08/87/96/214088796.db2.gz YQRGUUVCHSCCPS-VAWYXSNFSA-N 0 0 333.353 5.637 50 30 EKEARN CC(C)c1ccc(C(=O)C=CNc2cccc(C(F)(F)F)c2)cc1 ZINC000051318697 214089290 /nfs/dbraw/zinc/08/92/90/214089290.db2.gz GUXDCGYCNUYLFI-ZHACJKMWSA-N 0 0 333.353 5.637 50 30 EKEARN CC(C)c1ccc(C(=O)C=CNc2ccc(C(F)(F)F)cc2)cc1 ZINC000051318699 214089046 /nfs/dbraw/zinc/08/90/46/214089046.db2.gz ZTEZSJDAJMNDLU-VAWYXSNFSA-N 0 0 333.353 5.637 50 30 EKEARN CC(C)c1ccc(C(=O)C=CNc2cccc(OC(F)(F)F)c2)cc1 ZINC000051318700 564024501 /nfs/dbraw/zinc/02/45/01/564024501.db2.gz VRNXKERNSJSUDY-ZHACJKMWSA-N 0 0 349.352 5.517 50 30 EKEARN CC(C)c1ccc(C(=O)C=CNc2ccc(OC(F)(F)F)cc2)cc1 ZINC000051318702 564024518 /nfs/dbraw/zinc/02/45/18/564024518.db2.gz QDXFENFKSHBGEP-VAWYXSNFSA-N 0 0 349.352 5.517 50 30 EKEARN COc1ccc(NC=CC(=O)c2ccc(C(C)C)cc2)cc1Cl ZINC000051318727 564024508 /nfs/dbraw/zinc/02/45/08/564024508.db2.gz NZWBQKDNOHTTOW-ZHACJKMWSA-N 0 0 329.827 5.281 50 30 EKEARN COc1ccc(Cl)cc1NC=CC(=O)c1ccc(C(C)C)cc1 ZINC000051318729 564024513 /nfs/dbraw/zinc/02/45/13/564024513.db2.gz FWDANZORQIZAPB-ZHACJKMWSA-N 0 0 329.827 5.281 50 30 EKEARN COc1cc(Cl)c(C)cc1NC=CC(=O)c1ccc(C(C)C)cc1 ZINC000051318734 564024493 /nfs/dbraw/zinc/02/44/93/564024493.db2.gz QWMKYWFEKJSIQG-MDZDMXLPSA-N 0 0 343.854 5.589 50 30 EKEARN CCOc1ccc(C(=O)C=CNc2ccc(Cl)cc2Cl)cc1 ZINC000051318846 214088753 /nfs/dbraw/zinc/08/87/53/214088753.db2.gz YXOZLDDVKNIOEQ-MDZDMXLPSA-N 0 0 336.218 5.201 50 30 EKEARN CCOc1ccc(C(=O)C=CNc2cc(Cl)ccc2Cl)cc1 ZINC000051318848 214089283 /nfs/dbraw/zinc/08/92/83/214089283.db2.gz AGTYSBQRXUAYST-MDZDMXLPSA-N 0 0 336.218 5.201 50 30 EKEARN CCOc1ccc(C(=O)C=CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000051318849 214088734 /nfs/dbraw/zinc/08/87/34/214088734.db2.gz DJFLCQYKDKQPFF-MDZDMXLPSA-N 0 0 336.218 5.201 50 30 EKEARN CCOc1ccc(C(=O)C=CNc2cc(Cl)cc(Cl)c2)cc1 ZINC000051318852 214088409 /nfs/dbraw/zinc/08/84/09/214088409.db2.gz YGSIYTMWKMQXDU-BQYQJAHWSA-N 0 0 336.218 5.201 50 30 EKEARN CSC(SC)=C1CC/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC000051329779 214088715 /nfs/dbraw/zinc/08/87/15/214088715.db2.gz XRQKNWAGRLTKOL-JXMROGBWSA-N 0 0 345.316 5.677 50 30 EKEARN C(=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1)\c1ccccc1 ZINC000051329939 214088486 /nfs/dbraw/zinc/08/84/86/214088486.db2.gz NWZGIPNDEIKVTR-XQNSMLJCSA-N 0 0 340.451 6.228 50 30 EKEARN O=C(/C=C/c1ccccc1O)c1ccc(Sc2ccccc2)cc1 ZINC000051330030 564025164 /nfs/dbraw/zinc/02/51/64/564025164.db2.gz PNYPUYRPJXXWPM-NTCAYCPXSA-N 0 0 332.424 5.440 50 30 EKEARN CN=C(Nc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000052530587 214132151 /nfs/dbraw/zinc/13/21/51/214132151.db2.gz ZZQXKXTWRZSNGX-UHFFFAOYSA-N 0 0 346.274 5.022 50 30 EKEARN CCCCCCCOc1ccc(C(=O)Nc2cc(C)cc(C)n2)cc1 ZINC000053352420 564079341 /nfs/dbraw/zinc/07/93/41/564079341.db2.gz OJWVEINYBSIGEK-UHFFFAOYSA-N 0 0 340.467 5.300 50 30 EKEARN CCCCCCCCCCCCCCCCCC(=O)OCCO ZINC000056897528 574415290 /nfs/dbraw/zinc/41/52/90/574415290.db2.gz RFVNOJDQRGSOEL-UHFFFAOYSA-N 0 0 328.537 5.783 50 30 endogenous,in-man EKEARN CCCCCCCC/C=C\CCCCCCCC(=O)OCCO ZINC000056898838 214393786 /nfs/dbraw/zinc/39/37/86/214393786.db2.gz MUHFRORXWCGZGE-KTKRTIGZSA-N 0 0 326.521 5.559 50 30 in-man EKEARN N#Cc1ccc(Oc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000058158989 564157841 /nfs/dbraw/zinc/15/78/41/564157841.db2.gz WEFCLEZSGQECRA-UHFFFAOYSA-N 0 0 349.393 5.475 50 30 EKEARN Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1ccco1 ZINC000058196769 563939529 /nfs/dbraw/zinc/93/95/29/563939529.db2.gz HPBJIKSIEWJBNQ-BUHFOSPRSA-N 0 0 339.394 5.699 50 30 EKEARN Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C/c1ccccc1 ZINC000058196804 563939590 /nfs/dbraw/zinc/93/95/90/563939590.db2.gz YIDNZSIGQYUSLT-WUKNDPDISA-N 0 0 349.433 6.106 50 30 EKEARN N#Cc1ccc(CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000058213983 563939993 /nfs/dbraw/zinc/93/99/93/563939993.db2.gz QVKONWNUDFECKX-NRFANRHFSA-N 0 0 349.886 6.234 50 30 EKEARN N#Cc1ccc(CS[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000058213985 214505529 /nfs/dbraw/zinc/50/55/29/214505529.db2.gz QVKONWNUDFECKX-OAQYLSRUSA-N 0 0 349.886 6.234 50 30 EKEARN CCOc1ccc(C(=O)/C=C/c2nc(-c3ccccc3)cs2)cc1 ZINC000058250411 202748116 /nfs/dbraw/zinc/74/81/16/202748116.db2.gz PGAQPQUIVRJMDJ-OUKQBFOZSA-N 0 0 335.428 5.105 50 30 EKEARN Cc1ccc(C#N)cc1NC(=O)N(C)C1CCC(c2ccccc2)CC1 ZINC000058451582 564159170 /nfs/dbraw/zinc/15/91/70/564159170.db2.gz XLKMDVMMXYOXAQ-UHFFFAOYSA-N 0 0 347.462 5.057 50 30 EKEARN C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC ZINC000059047782 202775301 /nfs/dbraw/zinc/77/53/01/202775301.db2.gz HMZGPNHSPWNGEP-UHFFFAOYSA-N 0 0 338.576 7.367 50 30 EKEARN F/C(=C(C(=C/C(F)(F)F)/C(F)(F)F)\C(F)(F)F)C(F)(F)F ZINC000059103342 563947638 /nfs/dbraw/zinc/94/76/38/563947638.db2.gz DPXNAJTXBVCZPB-LOKDLIDFSA-N 0 0 344.070 5.386 50 30 EKEARN CCCCCCCCCCCCCCCCCCc1ccccc1 ZINC000059452103 563949108 /nfs/dbraw/zinc/94/91/08/563949108.db2.gz WSVDSBZMYJJMSB-UHFFFAOYSA-N 0 0 330.600 8.491 50 30 EKEARN CCCCCCCCCCCCc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000059796858 214623603 /nfs/dbraw/zinc/62/36/03/214623603.db2.gz YTXPODSLSFRTBJ-UHFFFAOYSA-N 0 0 347.546 7.689 50 30 EKEARN CCCCCCCCN1c2ccccc2S(=O)c2ccccc21 ZINC000059816387 132804527 /nfs/dbraw/zinc/80/45/27/132804527.db2.gz JPKWDXNWGGPWEP-UHFFFAOYSA-N 0 0 327.493 5.665 50 30 EKEARN CCCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000060194306 202779901 /nfs/dbraw/zinc/77/99/01/202779901.db2.gz VCYXELFOIWRYLA-UHFFFAOYSA-N 0 0 335.491 6.745 50 30 EKEARN CCCCCCCCCCCCCCCCCC(=O)OCCCC ZINC000060254423 574415348 /nfs/dbraw/zinc/41/53/48/574415348.db2.gz ULBTUVJTXULMLP-UHFFFAOYSA-N 0 0 340.592 7.591 50 30 endogenous,in-man EKEARN CCCCCCCC/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCC(=O)OC ZINC000060292247 201145156 /nfs/dbraw/zinc/14/51/56/201145156.db2.gz YOAQIJHBMIIBJM-NLAMMTFYSA-N 0 0 334.500 5.516 50 30 in-vitro EKEARN O=C(/C=C/c1nc(-c2ccccc2)cs1)c1ccc(Cl)s1 ZINC000060370821 563949870 /nfs/dbraw/zinc/94/98/70/563949870.db2.gz IEKTVUJZEJLILI-RMKNXTFCSA-N 0 0 331.849 5.421 50 30 EKEARN O=C(/C=C/c1nc(-c2ccccc2)cs1)c1cc2ccccc2o1 ZINC000060370842 563935824 /nfs/dbraw/zinc/93/58/24/563935824.db2.gz IWIZAJHBJCJCRM-ZHACJKMWSA-N 0 0 331.396 5.452 50 30 EKEARN CCCCCN(CC#Cc1ccccc1)Cc1ccccc1Cl ZINC000061958712 564002528 /nfs/dbraw/zinc/00/25/28/564002528.db2.gz JPMCPHCIHGRMRU-UHFFFAOYSA-N 0 0 325.883 5.384 50 30 EKEARN O=C(/C=C/c1csc(-c2ccsc2)n1)c1cc2ccccc2o1 ZINC000063275633 214752327 /nfs/dbraw/zinc/75/23/27/214752327.db2.gz SYADMQBJVBXBOC-AATRIKPKSA-N 0 0 337.425 5.514 50 30 EKEARN Cc1c2ccc3ccccc3c2oc1C(=O)N(C)c1cccc(C#N)c1 ZINC000063325114 214753212 /nfs/dbraw/zinc/75/32/12/214753212.db2.gz NTOUVRMEIQYMQR-UHFFFAOYSA-N 0 0 340.382 5.043 50 30 EKEARN CCc1ccc2ncc(C#N)c(Nc3cc(Cl)ccc3OC)c2c1 ZINC000064438739 564091285 /nfs/dbraw/zinc/09/12/85/564091285.db2.gz KCIIRTRGMYXCDN-UHFFFAOYSA-N 0 0 337.810 5.074 50 30 EKEARN CCOc1ccc2ncc(C#N)c(Nc3ccc(C)c(Cl)c3)c2c1 ZINC000064438759 564091276 /nfs/dbraw/zinc/09/12/76/564091276.db2.gz CYOLTHRQWIQMII-UHFFFAOYSA-N 0 0 337.810 5.211 50 30 EKEARN CC(C)(C)Nc1c(-c2ccc(C#N)cc2)nc2sc3ccccc3n21 ZINC000064668424 564095004 /nfs/dbraw/zinc/09/50/04/564095004.db2.gz MSWBRGJUSMLWDS-UHFFFAOYSA-N 0 0 346.459 5.298 50 30 EKEARN CCCCCC/C=C\CC/C=C\CCCCCCCCCCCCC ZINC000064858527 564097096 /nfs/dbraw/zinc/09/70/96/564097096.db2.gz PJVWXEURPGIPNW-ADYYPQGGSA-N 0 0 348.659 9.551 50 30 in-vitro EKEARN Cc1ccc2cc(/C=C/C(=O)c3ccc(F)cc3)c(Cl)nc2c1 ZINC000065532328 564107162 /nfs/dbraw/zinc/10/71/62/564107162.db2.gz CDXSYLOOLKKTNU-RMKNXTFCSA-N 0 0 325.770 5.232 50 30 EKEARN C[C@@H](c1ccc(Cl)cc1)N(Cc1cc(C#N)ccc1F)C1CC1 ZINC000065552717 564107488 /nfs/dbraw/zinc/10/74/88/564107488.db2.gz PYGXARSAMKMLKA-ZDUSSCGKSA-N 0 0 328.818 5.076 50 30 EKEARN C[C@H](c1ccc(Cl)cc1)N(Cc1cc(C#N)ccc1F)C1CC1 ZINC000065552718 564107492 /nfs/dbraw/zinc/10/74/92/564107492.db2.gz PYGXARSAMKMLKA-CYBMUJFWSA-N 0 0 328.818 5.076 50 30 EKEARN Cc1cccc(CN=Nc2c(Cl)cc(C(F)(F)F)cc2Cl)n1 ZINC000066088693 564124211 /nfs/dbraw/zinc/12/42/11/564124211.db2.gz HUWUPWOWFCUTPG-IFRROFPPSA-N 0 0 348.155 5.162 50 30 EKEARN Fc1ccc(F)c(C=NNc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000066091313 215008955 /nfs/dbraw/zinc/00/89/55/215008955.db2.gz PDQOKBVQSPHJIO-KPSZGOFPSA-N 0 0 335.568 5.371 50 30 EKEARN CCCCCCCCCCCCCc1cc(=O)c2ccccc2n1C ZINC000066102692 291016566 /nfs/dbraw/zinc/01/65/66/291016566.db2.gz DWHCRAGHDDLXEM-UHFFFAOYSA-N 0 0 341.539 6.392 50 30 biogenic,in-vitro EKEARN CCCc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000066351954 215035454 /nfs/dbraw/zinc/03/54/54/215035454.db2.gz IIRLOGPQMLRMIQ-UHFFFAOYSA-N 0 0 341.410 5.397 50 30 EKEARN C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(C)cc1 ZINC000067299904 215131421 /nfs/dbraw/zinc/13/14/21/215131421.db2.gz RCBKJRZCRCVRJL-FYWRMAATSA-N 0 0 336.818 6.195 50 30 EKEARN CCc1ccc(O)c(/N=C/c2cc(Cc3ccccc3)ccc2O)c1 ZINC000067341103 563962296 /nfs/dbraw/zinc/96/22/96/563962296.db2.gz WREGGVXRMCKBFE-HZHRSRAPSA-N 0 0 331.415 5.002 50 30 EKEARN CCCCCC/C=C\CCCCCCCCCc1cccc(O)c1O ZINC000067911346 215249083 /nfs/dbraw/zinc/24/90/83/215249083.db2.gz FNLMCNKPGGHKQL-FPLPWBNLSA-N 0 0 346.555 7.288 50 30 biogenic,in-vitro EKEARN C(#CC(c1ccccc1)(c1ccccc1)c1ccccc1)C1=CCCCC1 ZINC000068562599 215318408 /nfs/dbraw/zinc/31/84/08/215318408.db2.gz BMILRZSQGZXUSK-UHFFFAOYSA-N 0 0 348.489 6.525 50 30 EKEARN CCCCCCCCc1ccc(NC(=O)c2ccc(CC)cc2)cc1 ZINC000068568948 520049901 /nfs/dbraw/zinc/04/99/01/520049901.db2.gz XWMQSIXGADEPDX-UHFFFAOYSA-N 0 0 337.507 6.404 50 30 EKEARN CCCCCCCCOc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000068568952 215318974 /nfs/dbraw/zinc/31/89/74/215318974.db2.gz GKTCSCGXWKAHHX-UHFFFAOYSA-N 0 0 339.479 5.987 50 30 EKEARN CCCCCCCCc1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000068568954 563963263 /nfs/dbraw/zinc/96/32/63/563963263.db2.gz FLLWNUNUXIRINF-UHFFFAOYSA-N 0 0 339.479 5.851 50 30 EKEARN CCCCCCCCc1ccc(C(=O)Oc2ccc(OC)cc2)cc1 ZINC000068568963 563963258 /nfs/dbraw/zinc/96/32/58/563963258.db2.gz FZSNOJHKMJTIBP-UHFFFAOYSA-N 0 0 340.463 5.817 50 30 EKEARN CCCCCCCCOc1ccc(/N=N/c2ccc(CC)cc2)cc1 ZINC000068569013 563963236 /nfs/dbraw/zinc/96/32/36/563963236.db2.gz CLHCTZRRKFDRJW-WCWDXBQESA-N 0 0 338.495 7.404 50 30 EKEARN CCCCCCCCOc1ccc(OCCCCCCCC)cc1 ZINC000068569060 215318479 /nfs/dbraw/zinc/31/84/79/215318479.db2.gz KFQGWEDSKAPIDJ-UHFFFAOYSA-N 0 0 334.544 7.165 50 30 EKEARN CCCCCCCCCCNC(=O)C(C)(C(F)(F)F)C(F)(F)F ZINC000068575426 564167623 /nfs/dbraw/zinc/16/76/23/564167623.db2.gz RUQAPRCWNCRHIY-UHFFFAOYSA-N 0 0 349.359 5.374 50 30 EKEARN CSC(SC)=C1CCCC/C(=C\C=C\c2ccccc2)C1=O ZINC000068590749 525293370 /nfs/dbraw/zinc/29/33/70/525293370.db2.gz LBLPXMVTUWVMPD-YZLWMTBJSA-N 0 0 330.518 5.707 50 30 EKEARN FC(F)(F)C(C#CC(F)(F)C(F)(F)C(F)(F)F)=C1CCCC1 ZINC000068591331 215320698 /nfs/dbraw/zinc/32/06/98/215320698.db2.gz MMHLDEGBUZDZPA-UHFFFAOYSA-N 0 0 342.176 5.256 50 30 EKEARN O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cc2c(ccc3ccccc23)o1 ZINC000070038353 564173469 /nfs/dbraw/zinc/17/34/69/564173469.db2.gz JLINVUPDEDFAEP-FNORWQNLSA-N 0 0 349.367 5.452 50 30 EKEARN CCCCCCCCCCCCCCCCCCCCC(=O)OC ZINC000070455482 203077505 /nfs/dbraw/zinc/07/75/05/203077505.db2.gz AJRICDSAJQHDSD-UHFFFAOYSA-N 0 0 340.592 7.591 50 30 biogenic,in-vitro EKEARN CCCCCCCCCCCCCCCCCCCC(=O)OC ZINC000070455484 215694084 /nfs/dbraw/zinc/69/40/84/215694084.db2.gz QGBRLVONZXHAKJ-UHFFFAOYSA-N 0 0 326.565 7.201 50 30 biogenic,in-vitro EKEARN CCCCCCCCCCCCCCCCCCC(=O)OCC ZINC000070455619 203076640 /nfs/dbraw/zinc/07/66/40/203076640.db2.gz ICVYQLQYVCXJNE-UHFFFAOYSA-N 0 0 326.565 7.201 50 30 biogenic,in-vitro EKEARN CCCCCCCc1ccc(C#Cc2ccc(OCCCC)cc2)nc1 ZINC000070665047 215703030 /nfs/dbraw/zinc/70/30/30/215703030.db2.gz ZZFGLGWAKYYWSE-UHFFFAOYSA-N 0 0 349.518 6.173 50 30 EKEARN CCCCCCCCCCCCCCCC(=O)N(O)c1ccccc1 ZINC000070665765 564176363 /nfs/dbraw/zinc/17/63/63/564176363.db2.gz WGMPVZJEXPNBCF-UHFFFAOYSA-N 0 0 347.543 6.890 50 30 EKEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CO1 ZINC000070666019 563963929 /nfs/dbraw/zinc/96/39/29/563963929.db2.gz OUQGOXCIUOCDNN-FQEVSTJZSA-N 0 0 340.548 6.190 50 30 in-vitro EKEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1CO1 ZINC000070666020 563963921 /nfs/dbraw/zinc/96/39/21/563963921.db2.gz OUQGOXCIUOCDNN-HXUWFJFHSA-N 0 0 340.548 6.190 50 30 in-vitro EKEARN CCO[C@@H]1CC[C@@]2(Cc3ccccc3)c3ccc(C#N)cc3CC=C2C1 ZINC000071766921 215821554 /nfs/dbraw/zinc/82/15/54/215821554.db2.gz KRBZGOOVQRIYFY-VWNXMTODSA-N 0 0 343.470 5.110 50 30 EKEARN CCO[C@H]1CC[C@@]2(Cc3ccccc3)c3ccc(C#N)cc3CC=C2C1 ZINC000071766922 215822308 /nfs/dbraw/zinc/82/23/08/215822308.db2.gz KRBZGOOVQRIYFY-UPVQGACJSA-N 0 0 343.470 5.110 50 30 EKEARN CC(C)(C)c1ccc(O)c(/C=N/Cc2cc(C(C)(C)C)ccc2O)c1 ZINC000071767135 563965517 /nfs/dbraw/zinc/96/55/17/563965517.db2.gz UROYRMJLJBWYPL-YDZHTSKRSA-N 0 0 339.479 5.312 50 30 EKEARN N#CC(CCC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000071767355 215822305 /nfs/dbraw/zinc/82/23/05/215822305.db2.gz PLDYSAUOJMWQME-UHFFFAOYSA-N 0 0 325.411 5.159 50 30 EKEARN c1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000071769504 563965627 /nfs/dbraw/zinc/96/56/27/563965627.db2.gz ODCRVDJJTVGYPZ-XQNSMLJCSA-N 0 0 338.414 5.190 50 30 EKEARN CCCCSC1=C2C(=O)C[C@]3(C)CCCC(C)=C3C[C@@]2(C)CC1 ZINC000071786246 564076307 /nfs/dbraw/zinc/07/63/07/564076307.db2.gz OSXAWPCVAQEPOZ-LEWJYISDSA-N 0 0 332.553 6.444 50 30 EKEARN CC(C)[C@@H]1CC[C@]2(C)CC3=C(C[C@@H]12)C(=O)[C@@]12CC[C@@H](C)[C@@H]1CC[C@@]32C ZINC000071786359 564076312 /nfs/dbraw/zinc/07/63/12/564076312.db2.gz KWUIWQDPPVZWIM-RLEXUYQFSA-N 0 0 340.551 6.181 50 30 EKEARN C=CCCCCCCCCC[C@@](C)(O)[C@](C)(O)CCCCCC=C ZINC000071786774 564076331 /nfs/dbraw/zinc/07/63/31/564076331.db2.gz HGWOCULIOZDUQX-FGZHOGPDSA-N 0 0 338.576 6.322 50 30 EKEARN C=CCCCCCCCCC[C@](C)(O)[C@](C)(O)CCCCCC=C ZINC000071786775 564076326 /nfs/dbraw/zinc/07/63/26/564076326.db2.gz HGWOCULIOZDUQX-YADHBBJMSA-N 0 0 338.576 6.322 50 30 EKEARN C=CCCCCCCCCC[C@@](C)(O)[C@@](C)(O)CCCCCC=C ZINC000071786776 564076334 /nfs/dbraw/zinc/07/63/34/564076334.db2.gz HGWOCULIOZDUQX-FCHUYYIVSA-N 0 0 338.576 6.322 50 30 EKEARN C=CCCCCCCCCC[C@](C)(O)[C@@](C)(O)CCCCCC=C ZINC000071786777 564076323 /nfs/dbraw/zinc/07/63/23/564076323.db2.gz HGWOCULIOZDUQX-VXKWHMMOSA-N 0 0 338.576 6.322 50 30 EKEARN COc1cccc(C(=O)/C=C/c2cc3cc(C)ccc3nc2Cl)c1 ZINC000071800795 564175507 /nfs/dbraw/zinc/17/55/07/564175507.db2.gz CHSDWIYNXPVSNV-VQHVLOKHSA-N 0 0 337.806 5.101 50 30 EKEARN CC(C)c1nc(C#N)c(NCc2ccc(Oc3ccccc3)cc2)o1 ZINC000072238602 216077585 /nfs/dbraw/zinc/07/75/85/216077585.db2.gz LKDFBDPPHRLWTQ-UHFFFAOYSA-N 0 0 333.391 5.074 50 30 EKEARN CC[C@@H](CNc1oc(-c2ccc(C)cc2)nc1C#N)c1ccccc1 ZINC000072238636 216077867 /nfs/dbraw/zinc/07/78/67/216077867.db2.gz MXBOBZFKVKYOSQ-INIZCTEOSA-N 0 0 331.419 5.127 50 30 EKEARN CC[C@H](CNc1oc(-c2ccc(C)cc2)nc1C#N)c1ccccc1 ZINC000072238637 216077840 /nfs/dbraw/zinc/07/78/40/216077840.db2.gz MXBOBZFKVKYOSQ-MRXNPFEDSA-N 0 0 331.419 5.127 50 30 EKEARN O=C1NC(=Nc2cccc(F)c2)C(=Cc2ccc3ncccc3c2)S1 ZINC000072401503 216194094 /nfs/dbraw/zinc/19/40/94/216194094.db2.gz YKBLPCXFZGVZLB-YVLHZVERSA-N 0 0 349.390 5.106 50 30 EKEARN O=C1NC(=Nc2ccc(F)cc2)C(=Cc2cccc3cccnc23)S1 ZINC000072401636 216194361 /nfs/dbraw/zinc/19/43/61/216194361.db2.gz XIXRXMQRIGXVCJ-WJDWOHSUSA-N 0 0 349.390 5.106 50 30 EKEARN O=C1NC(=Nc2cccc(F)c2)C(=Cc2cccc3cccnc23)S1 ZINC000072401948 216193939 /nfs/dbraw/zinc/19/39/39/216193939.db2.gz PCMPRYLNZGDFMU-YBEGLDIGSA-N 0 0 349.390 5.106 50 30 EKEARN N#Cc1nc(-c2ccc(Cl)cc2)oc1SCc1ccccc1 ZINC000072427727 216219114 /nfs/dbraw/zinc/21/91/14/216219114.db2.gz WMCFTDRITQWZCH-UHFFFAOYSA-N 0 0 326.808 5.159 50 30 EKEARN C=CCCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000075144656 564080752 /nfs/dbraw/zinc/08/07/52/564080752.db2.gz AXBSMDQASBYIQO-KRWDZBQOSA-N 0 0 338.451 5.095 50 30 EKEARN C=CCCC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000075144659 564080742 /nfs/dbraw/zinc/08/07/42/564080742.db2.gz AXBSMDQASBYIQO-QGZVFWFLSA-N 0 0 338.451 5.095 50 30 EKEARN N#C[C@@H]1[C@@H](c2ccccc2)N(c2ccccc2)[C@H]2c3ccccc3C=CN12 ZINC000075249303 564081139 /nfs/dbraw/zinc/08/11/39/564081139.db2.gz BRMYSWUSLDHPFT-SMIHKQSGSA-N 0 0 349.437 5.125 50 30 EKEARN N#C[C@@H]1[C@H](c2ccccc2)N(c2ccccc2)[C@H]2c3ccccc3C=CN12 ZINC000075249306 564081116 /nfs/dbraw/zinc/08/11/16/564081116.db2.gz BRMYSWUSLDHPFT-SGNDLWITSA-N 0 0 349.437 5.125 50 30 EKEARN O=C1c2ccccc2[C@@H](c2ccccc2)/C1=C/c1ccc(Cl)cc1 ZINC000075251567 564081157 /nfs/dbraw/zinc/08/11/57/564081157.db2.gz LFFGGQKOJUQSOR-OKPNHQCWSA-N 0 0 330.814 5.752 50 30 EKEARN O=C1c2ccccc2[C@H](c2ccccc2)/C1=C/c1ccc(Cl)cc1 ZINC000075251569 564081161 /nfs/dbraw/zinc/08/11/61/564081161.db2.gz LFFGGQKOJUQSOR-URBQWANRSA-N 0 0 330.814 5.752 50 30 EKEARN Cc1ccc(C2=Nc3ccccc3[C@](S)(c3ccccc3)S2)cc1 ZINC000075260485 564081277 /nfs/dbraw/zinc/08/12/77/564081277.db2.gz CDTOVRQUJMTMDS-NRFANRHFSA-N 0 0 347.508 5.951 50 30 EKEARN Cc1ccc(C2=Nc3ccccc3[C@@](S)(c3ccccc3)S2)cc1 ZINC000075260486 564081287 /nfs/dbraw/zinc/08/12/87/564081287.db2.gz CDTOVRQUJMTMDS-OAQYLSRUSA-N 0 0 347.508 5.951 50 30 EKEARN N#Cc1sc2ncc(-c3ccccc3)c(Cc3ccccc3)c2c1N ZINC000075260616 564081281 /nfs/dbraw/zinc/08/12/81/564081281.db2.gz KOIJKWDJLLRIRZ-UHFFFAOYSA-N 0 0 341.439 5.008 50 30 EKEARN C=CCNc1nsc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000075260662 564081307 /nfs/dbraw/zinc/08/13/07/564081307.db2.gz OULKLWLYGQXCPL-UHFFFAOYSA-N 0 0 341.383 5.037 50 30 EKEARN C=CCCC(=O)Nc1ccc(-c2ccc(NC(=O)CCC=C)cc2)cc1 ZINC000075260985 564081250 /nfs/dbraw/zinc/08/12/50/564081250.db2.gz RQBLRFLDVMKGMY-UHFFFAOYSA-N 0 0 348.446 5.163 50 30 EKEARN O=C(/C=C(/SCc1ccccc1)c1ccccc1)c1ccccc1 ZINC000075262376 527593040 /nfs/dbraw/zinc/59/30/40/527593040.db2.gz XTLOTZWOPOPWJJ-CJLVFECKSA-N 0 0 330.452 5.844 50 30 EKEARN C=C(C)c1cc2ccc1CCc1ccc(cc1Br)CC2 ZINC000075270572 564081341 /nfs/dbraw/zinc/08/13/41/564081341.db2.gz IZGLSUOFCGSVMW-UHFFFAOYSA-N 0 0 327.265 5.366 50 30 EKEARN O=C1C(=C2SCCCS2)CCCC/C1=C\C=C\c1ccccc1 ZINC000075274098 564081324 /nfs/dbraw/zinc/08/13/24/564081324.db2.gz CQHCJTWDIDVBER-MKILNOHCSA-N 0 0 342.529 5.851 50 30 EKEARN CCCCC12CCC(c3ccc(-c4ccc(C#N)cc4)cc3)(CC1)CC2 ZINC000075283254 564081519 /nfs/dbraw/zinc/08/15/19/564081519.db2.gz XRZPLWKFBBFOJO-UHFFFAOYSA-N 0 0 343.514 7.007 50 30 EKEARN C=C(/C=C/C(=C/C)N1N=C(C)/C(=C\c2ccc(C)s2)C1=O)CC ZINC000075284303 564081596 /nfs/dbraw/zinc/08/15/96/564081596.db2.gz FIFKYYKEISZNMP-SAZVXHDHSA-N 0 0 326.465 5.084 50 30 EKEARN C/C(=N\O)c1sc2nc(-c3ccccc3)c(-c3ccccc3)n2c1C ZINC000075286380 216604046 /nfs/dbraw/zinc/60/40/46/216604046.db2.gz JDWGYYULSFYGCP-LPYMAVHISA-N 0 0 347.443 5.236 50 30 EKEARN CCCCCCCCCCN(CCCCCCCCCC)C(C)=O ZINC000078583272 563970626 /nfs/dbraw/zinc/97/06/26/563970626.db2.gz SLPCLGLPAYVHCG-UHFFFAOYSA-N 0 0 339.608 7.116 50 30 EKEARN CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000079647639 563971058 /nfs/dbraw/zinc/97/10/58/563971058.db2.gz SKRWRXWNQFQGRU-UHFFFAOYSA-N 0 0 348.102 5.135 50 30 EKEARN CCCCC1CCC(c2ccc(C#Cc3ccc(C)cc3)cc2)CC1 ZINC000080053437 217276050 /nfs/dbraw/zinc/27/60/50/217276050.db2.gz UEWUXXCQZUSEKF-UHFFFAOYSA-N 0 0 330.515 6.859 50 30 EKEARN Cc1cccc(N=C2NC(=O)SC2=Cc2ccc(Cl)cc2)c1 ZINC000080350103 564139381 /nfs/dbraw/zinc/13/93/81/564139381.db2.gz GDKSQWVMMDGXCW-XNTDXEJSSA-N 0 0 328.824 5.380 50 30 EKEARN N#CCCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000082086928 564056207 /nfs/dbraw/zinc/05/62/07/564056207.db2.gz MAZQKTFAGAMLCN-UHFFFAOYSA-N 0 0 341.439 5.293 50 30 EKEARN Cc1ccc(C)c(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000082095454 564056229 /nfs/dbraw/zinc/05/62/29/564056229.db2.gz UWGIBTHNFFDSLJ-GOSISDBHSA-N 0 0 328.843 5.339 50 30 EKEARN Cc1ccc(C)c(NC(=O)N2CCC[C@H]2c2ccccc2Cl)c1 ZINC000082095455 203495237 /nfs/dbraw/zinc/49/52/37/203495237.db2.gz UWGIBTHNFFDSLJ-SFHVURJKSA-N 0 0 328.843 5.339 50 30 EKEARN Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000082095914 563972100 /nfs/dbraw/zinc/97/21/00/563972100.db2.gz RRKBBLBRGKRDJG-KRWDZBQOSA-N 0 0 332.806 5.170 50 30 EKEARN Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000082095915 217463549 /nfs/dbraw/zinc/46/35/49/217463549.db2.gz RRKBBLBRGKRDJG-QGZVFWFLSA-N 0 0 332.806 5.170 50 30 EKEARN CCCCCCCCCCCCCC(=O)N[C@H](C)c1ccccc1 ZINC000082175959 564050251 /nfs/dbraw/zinc/05/02/51/564050251.db2.gz UIYLTLPYCMXBRA-HXUWFJFHSA-N 0 0 331.544 6.565 50 30 EKEARN N#CCN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CCCCCC1 ZINC000084419627 564068094 /nfs/dbraw/zinc/06/80/94/564068094.db2.gz MGHSPYVEPIXERP-UHFFFAOYSA-N 0 0 343.858 5.043 50 30 EKEARN O=C1c2ccccc2C(=O)C1=Cc1ccc(-c2cccs2)cc1F ZINC000084576901 564068773 /nfs/dbraw/zinc/06/87/73/564068773.db2.gz CKRIRAGRBUGYFN-UHFFFAOYSA-N 0 0 334.371 5.017 50 30 EKEARN C=CCn1c(S[C@@H](C)CCSc2ccccc2)nnc1C1CC1 ZINC000084637477 564069262 /nfs/dbraw/zinc/06/92/62/564069262.db2.gz VQYJHVLFWDNXKF-AWEZNQCLSA-N 0 0 345.537 5.005 50 30 EKEARN C=CCn1c(S[C@H](C)CCSc2ccccc2)nnc1C1CC1 ZINC000084637479 564069268 /nfs/dbraw/zinc/06/92/68/564069268.db2.gz VQYJHVLFWDNXKF-CQSZACIVSA-N 0 0 345.537 5.005 50 30 EKEARN CCCCCCCCC(=O)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000084689754 563973605 /nfs/dbraw/zinc/97/36/05/563973605.db2.gz OMXNAWBBIBXNBM-UHFFFAOYSA-N 0 0 342.508 5.598 50 30 EKEARN N#Cc1ccc(-c2ccc(NC(=O)OCc3ccccc3)cc2)cc1F ZINC000085477328 563986385 /nfs/dbraw/zinc/98/63/85/563986385.db2.gz GXVLLWPSFPWDHT-UHFFFAOYSA-N 0 0 346.361 5.113 50 30 EKEARN CCCCCCCC/C=C\CCCCCCCC(=O)OCCCC ZINC000085480590 563973831 /nfs/dbraw/zinc/97/38/31/563973831.db2.gz WIBFFTLQMKKBLZ-SEYXRHQNSA-N 0 0 338.576 7.367 50 30 in-vitro EKEARN CCCCCCCC/C=C/CCCCCCCC(=O)OCCCC ZINC000085480594 563973856 /nfs/dbraw/zinc/97/38/56/563973856.db2.gz WIBFFTLQMKKBLZ-OUKQBFOZSA-N 0 0 338.576 7.367 50 30 EKEARN CCCCCCCCCCCCOS(=O)(=O)c1ccc(C)cc1 ZINC000085659564 563973928 /nfs/dbraw/zinc/97/39/28/563973928.db2.gz QHKNLARMWXIVSM-UHFFFAOYSA-N 0 0 340.529 5.621 50 30 EKEARN CCCCCCCCCCCCCCCCCCCC(=O)OCC ZINC000085663678 564091413 /nfs/dbraw/zinc/09/14/13/564091413.db2.gz YBKSMWBLSBAFBQ-UHFFFAOYSA-N 0 0 340.592 7.591 50 30 in-vitro EKEARN CCCCCCCCCCCCCCCC(=O)NCc1ccccc1 ZINC000085836414 519990566 /nfs/dbraw/zinc/99/05/66/519990566.db2.gz MLGPKWUKOQAAGI-UHFFFAOYSA-N 0 0 345.571 6.784 50 30 endogenous,in-man EKEARN CCCCCCCCCCCCCCCCCCCCCCCO ZINC000086001453 217688698 /nfs/dbraw/zinc/68/86/98/217688698.db2.gz FPLNRAYTBIFSFW-UHFFFAOYSA-N 0 0 340.636 8.191 50 30 in-vitro EKEARN CCCCCCCCCCCCCC(=O)CCCCCCCCC ZINC000086001458 217688144 /nfs/dbraw/zinc/68/81/44/217688144.db2.gz YQAGGUFIAQCPGU-UHFFFAOYSA-N 0 0 338.620 8.397 50 30 EKEARN CCCCCCCCCCCCCCCCCC(=O)OC(C)C ZINC000086050948 564076335 /nfs/dbraw/zinc/07/63/35/564076335.db2.gz ZPWFUIUNWDIYCJ-UHFFFAOYSA-N 0 0 326.565 7.200 50 30 EKEARN Cc1cc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c(C)s1 ZINC000089582309 564092965 /nfs/dbraw/zinc/09/29/65/564092965.db2.gz IHEIMGIMPCRYKV-UHFFFAOYSA-N 0 0 337.469 5.079 50 30 EKEARN N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc2c(c1)CCC2 ZINC000089851098 564114342 /nfs/dbraw/zinc/11/43/42/564114342.db2.gz UINQIGXQVBXGDN-UHFFFAOYSA-N 0 0 344.439 5.028 50 30 EKEARN N#Cc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 ZINC000089851112 564114343 /nfs/dbraw/zinc/11/43/43/564114343.db2.gz YXFPCFBEABVGLM-UHFFFAOYSA-N 0 0 340.813 6.094 50 30 EKEARN N#Cc1cccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)c1 ZINC000089866664 217866383 /nfs/dbraw/zinc/86/63/83/217866383.db2.gz MCZYBIDPMWITDN-UHFFFAOYSA-N 0 0 340.813 6.094 50 30 EKEARN N#C[C@H](c1ccccc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000091302215 563975232 /nfs/dbraw/zinc/97/52/32/563975232.db2.gz MGFRJYXYYHULHP-SNVBAGLBSA-N 0 0 331.124 5.063 50 30 EKEARN N#C[C@@H](c1ccccc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000091302217 563975224 /nfs/dbraw/zinc/97/52/24/563975224.db2.gz MGFRJYXYYHULHP-JTQLQIEISA-N 0 0 331.124 5.063 50 30 EKEARN C=CCCCCCCCCCSc1nnc2nc(C)cc(C)n21 ZINC000094993246 564139085 /nfs/dbraw/zinc/13/90/85/564139085.db2.gz WTQHVAINPGHSRP-UHFFFAOYSA-N 0 0 332.517 5.140 50 30 EKEARN N#Cc1ccc(Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000095221271 218282548 /nfs/dbraw/zinc/28/25/48/218282548.db2.gz NOBISPJZYJEXQM-UHFFFAOYSA-N 0 0 331.331 5.002 50 30 EKEARN C=CCN(C(=O)Nc1ccccc1-c1nc2ccccc2s1)C1CC1 ZINC000095459114 564140704 /nfs/dbraw/zinc/14/07/04/564140704.db2.gz INEJMDFFOYTJFR-UHFFFAOYSA-N 0 0 349.459 5.146 50 30 EKEARN Cc1nc(-c2cccnc2)sc1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000095586990 203763916 /nfs/dbraw/zinc/76/39/16/203763916.db2.gz AIXLCNKKZJKDBW-RMKNXTFCSA-N 0 0 340.835 5.063 50 30 EKEARN C=CCOc1ccc2ccccc2c1-c1c(O)ccc2ccccc21 ZINC000095611701 564066215 /nfs/dbraw/zinc/06/62/15/564066215.db2.gz MPNMSOOSPRUJKK-UHFFFAOYSA-N 0 0 326.395 5.930 50 30 EKEARN CCCCCCC#Cc1cncc(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000095660913 563977606 /nfs/dbraw/zinc/97/76/06/563977606.db2.gz NOOKQSXIEKKKMO-UHFFFAOYSA-N 0 0 340.854 5.309 50 30 EKEARN F/C(=C(C(=C\C(F)(F)F)\C(F)(F)F)/C(F)(F)F)C(F)(F)F ZINC000095671269 258067314 /nfs/dbraw/zinc/06/73/14/258067314.db2.gz DPXNAJTXBVCZPB-BXTBVDPRSA-N 0 0 344.070 5.386 50 30 EKEARN Fc1c(C(F)(F)F)c(F)c(C(F)(F)F)c(F)c1C(F)(F)F ZINC000095681647 258067300 /nfs/dbraw/zinc/06/73/00/258067300.db2.gz QWZHVIDXHYBBDU-UHFFFAOYSA-N 0 0 336.075 5.160 50 30 EKEARN CCCCCCCCOC(=O)CC(=O)OCCCCCCCC ZINC000095682041 258067325 /nfs/dbraw/zinc/06/73/25/258067325.db2.gz DTVMXQFQTCJMOR-UHFFFAOYSA-N 0 0 328.493 5.184 50 30 EKEARN C=CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095682136 563977615 /nfs/dbraw/zinc/97/76/15/563977615.db2.gz RUVAVKKRUIZRRS-UHFFFAOYSA-N 0 0 346.086 5.116 50 30 EKEARN CCCCCCCCCCCCCCCCCCc1ccsc1 ZINC000095686665 563977603 /nfs/dbraw/zinc/97/76/03/563977603.db2.gz ARFJPHXJBIEWSZ-UHFFFAOYSA-N 0 0 336.629 8.552 50 30 EKEARN CCCCCCCCC(=O)Nc1nc2c(s1)Cc1ccccc1-2 ZINC000095722863 519973994 /nfs/dbraw/zinc/97/39/94/519973994.db2.gz GSCWLSHWTMWEAO-UHFFFAOYSA-N 0 0 328.481 5.403 50 30 EKEARN CCCCCCCCCC(=O)Nc1nc2c(s1)Cc1ccccc1-2 ZINC000095722865 563977660 /nfs/dbraw/zinc/97/76/60/563977660.db2.gz FIKWSIUQGALUJI-UHFFFAOYSA-N 0 0 342.508 5.794 50 30 EKEARN CCCCCCCCCCCC(=O)Nc1cc(OC)ccc1OC ZINC000095722920 563977649 /nfs/dbraw/zinc/97/76/49/563977649.db2.gz MNTVIWULCKGFAM-UHFFFAOYSA-N 0 0 335.488 5.563 50 30 EKEARN CCCCCCCCCCCCSC(=S)NC[C@@H]1CCCO1 ZINC000095723002 563977654 /nfs/dbraw/zinc/97/76/54/563977654.db2.gz YMCGYYKFMFIXJD-KRWDZBQOSA-N 0 0 345.618 5.694 50 30 EKEARN CCCCCCCCCCCCSC(=S)NC[C@H]1CCCO1 ZINC000095723005 563977652 /nfs/dbraw/zinc/97/76/52/563977652.db2.gz YMCGYYKFMFIXJD-QGZVFWFLSA-N 0 0 345.618 5.694 50 30 EKEARN CCCCCCCOc1ccc(/C(=N\O)c2ccc(OC)cc2)cc1 ZINC000095725658 563977661 /nfs/dbraw/zinc/97/76/61/563977661.db2.gz RTSIBKTWTVXAAJ-DQRAZIAOSA-N 0 0 341.451 5.271 50 30 EKEARN CCCCCCCCOc1ccccc1OCCCCCCCC ZINC000095731001 563977648 /nfs/dbraw/zinc/97/76/48/563977648.db2.gz FNLUIKNPCILERZ-UHFFFAOYSA-N 0 0 334.544 7.165 50 30 EKEARN CCCCCCCCCCCC(=O)CCCCCCCCCCC ZINC000095863953 563977725 /nfs/dbraw/zinc/97/77/25/563977725.db2.gz VARQGBHBYZTYLJ-UHFFFAOYSA-N 0 0 338.620 8.397 50 30 EKEARN CCCCCCCCCCCCCCCCCC(=O)OCC(C)C ZINC000095876441 563977716 /nfs/dbraw/zinc/97/77/16/563977716.db2.gz ORFWYUFLWUWSFM-UHFFFAOYSA-N 0 0 340.592 7.447 50 30 EKEARN Oc1ccc2ccccc2c1/C=N/c1ccccc1Br ZINC000095919523 563977764 /nfs/dbraw/zinc/97/77/64/563977764.db2.gz BWIVCJWRPRTTCM-YBFXNURJSA-N 0 0 326.193 5.059 50 30 EKEARN N#CCCSc1ccccc1NC(=O)Cc1cccc2ccccc21 ZINC000095953469 526463029 /nfs/dbraw/zinc/46/30/29/526463029.db2.gz LMJUGXWWVBUVCI-UHFFFAOYSA-N 0 0 346.455 5.027 50 30 EKEARN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@@H](OCC)OC1=O ZINC000096023703 564130134 /nfs/dbraw/zinc/13/01/34/564130134.db2.gz LDXKIEGKQAFIRM-BFWHMLLNSA-N 0 0 344.495 5.187 50 30 EKEARN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\C[C@@H](OC)OC1=O ZINC000096023733 563983094 /nfs/dbraw/zinc/98/30/94/563983094.db2.gz AXVHMYNDGVQIQD-UZUZRIADSA-N 0 0 332.484 5.021 50 30 EKEARN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\C[C@@H](OCC)OC1=O ZINC000096023739 218515722 /nfs/dbraw/zinc/51/57/22/218515722.db2.gz HUJJMXMBEMUVOX-AWFLHDHLSA-N 0 0 346.511 5.411 50 30 EKEARN O=C(/C=C\c1ccccc1OCc1ccccn1)c1ccc(Cl)cc1 ZINC000096032412 564145101 /nfs/dbraw/zinc/14/51/01/564145101.db2.gz JSGDILNOOKCXBA-RAXLEYEMSA-N 0 0 349.817 5.210 50 30 EKEARN O=C(/C=C\c1nc(-c2ccccc2)cs1)c1ccc(Cl)s1 ZINC000096032914 218517738 /nfs/dbraw/zinc/51/77/38/218517738.db2.gz IEKTVUJZEJLILI-TWGQIWQCSA-N 0 0 331.849 5.421 50 30 EKEARN O=C(/C=C\c1csc(-c2ccsc2)n1)c1cc2ccccc2o1 ZINC000096291573 564146453 /nfs/dbraw/zinc/14/64/53/564146453.db2.gz SYADMQBJVBXBOC-WAYWQWQTSA-N 0 0 337.425 5.514 50 30 EKEARN COc1cccc(C(=O)/C=C\c2cc3cc(C)ccc3nc2Cl)c1 ZINC000096297670 201376095 /nfs/dbraw/zinc/37/60/95/201376095.db2.gz CHSDWIYNXPVSNV-CLFYSBASSA-N 0 0 337.806 5.101 50 30 EKEARN Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C\c1ccccc1 ZINC000096315743 201376542 /nfs/dbraw/zinc/37/65/42/201376542.db2.gz YIDNZSIGQYUSLT-MSUUIHNZSA-N 0 0 349.433 6.106 50 30 EKEARN Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)/C=C\c1ccco1 ZINC000096315747 564146760 /nfs/dbraw/zinc/14/67/60/564146760.db2.gz HPBJIKSIEWJBNQ-YPKPFQOOSA-N 0 0 339.394 5.699 50 30 EKEARN CCOc1ccc(C(=O)/C=C\c2nc(-c3ccccc3)cs2)cc1 ZINC000096316173 564146750 /nfs/dbraw/zinc/14/67/50/564146750.db2.gz PGAQPQUIVRJMDJ-SEYXRHQNSA-N 0 0 335.428 5.105 50 30 EKEARN CCn1c(Cl)c(C(=O)/C=C/c2ccc(C#N)cc2)c2ccccc21 ZINC000096319271 563980747 /nfs/dbraw/zinc/98/07/47/563980747.db2.gz UUNYAIGEPIMTPM-VAWYXSNFSA-N 0 0 334.806 5.082 50 30 EKEARN N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1NCc1ccccc1Cl ZINC000096346542 218745752 /nfs/dbraw/zinc/74/57/52/218745752.db2.gz IACPXOKJSCSGGB-HOTGVXAUSA-N 0 0 349.821 5.083 50 30 EKEARN N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1NCc1ccccc1Cl ZINC000096346543 564146831 /nfs/dbraw/zinc/14/68/31/564146831.db2.gz IACPXOKJSCSGGB-CVEARBPZSA-N 0 0 349.821 5.083 50 30 EKEARN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NCc1ccccc1Cl ZINC000096346544 564146882 /nfs/dbraw/zinc/14/68/82/564146882.db2.gz IACPXOKJSCSGGB-JKSUJKDBSA-N 0 0 349.821 5.083 50 30 EKEARN N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NCc1ccccc1Cl ZINC000096346545 564146886 /nfs/dbraw/zinc/14/68/86/564146886.db2.gz IACPXOKJSCSGGB-HZPDHXFCSA-N 0 0 349.821 5.083 50 30 EKEARN O=C(/C=C(/Sc1ccc(Cl)cc1)c1ccccc1)c1ccco1 ZINC000096401700 218750336 /nfs/dbraw/zinc/75/03/36/218750336.db2.gz KBBASURMHADHNW-CPNJWEJPSA-N 0 0 340.831 5.949 50 30 EKEARN O=C(/C=C\c1nc(-c2ccccc2)cs1)c1cc2ccccc2o1 ZINC000096403333 564147167 /nfs/dbraw/zinc/14/71/67/564147167.db2.gz IWIZAJHBJCJCRM-KHPPLWFESA-N 0 0 331.396 5.452 50 30 EKEARN Cc1ccc2cc(/C=C\C(=O)c3ccc(F)cc3)c(Cl)nc2c1 ZINC000096405112 564147287 /nfs/dbraw/zinc/14/72/87/564147287.db2.gz CDXSYLOOLKKTNU-TWGQIWQCSA-N 0 0 325.770 5.232 50 30 EKEARN C(=N/c1ccc(/N=N/c2ccccc2)cc1)\c1ccc2ccccc2c1 ZINC000096429706 218803078 /nfs/dbraw/zinc/80/30/78/218803078.db2.gz YTLPSTCQUJXFDU-NWVNLELCSA-N 0 0 335.410 7.006 50 30 EKEARN CC1(C)[C@H]2CC[C@]1(C)C(N=Nc1nc(-c3ccccc3)cs1)C2 ZINC000096609291 218884755 /nfs/dbraw/zinc/88/47/55/218884755.db2.gz LPZRONVVQPPYEV-HZDRWIJVSA-N 0 0 325.481 5.424 50 30 EKEARN O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C/c1cccc(F)c1 ZINC000096766962 201378729 /nfs/dbraw/zinc/37/87/29/201378729.db2.gz XFKAWZFXULGSBV-SLTDHEAWSA-N 0 0 330.358 5.226 50 30 EKEARN O=C(/C=C\c1cccc(Cl)c1Cl)c1ccccc1OC(F)F ZINC000096767437 527656916 /nfs/dbraw/zinc/65/69/16/527656916.db2.gz CEMNWWHYVDSATK-HJWRWDBZSA-N 0 0 343.156 5.491 50 30 EKEARN CCCCOc1ccc(/C=C2/CCOc3ccc(C)cc3C2=O)cc1 ZINC000096792702 201378446 /nfs/dbraw/zinc/37/84/46/201378446.db2.gz DVNUZKCHHIDQHL-SDXDJHTJSA-N 0 0 336.431 5.223 50 30 EKEARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1cc(C)cc(C)c1 ZINC000096868675 563981119 /nfs/dbraw/zinc/98/11/19/563981119.db2.gz GMVSVXPTTPWAEJ-GFMRDNFCSA-N 0 0 344.458 5.275 50 30 EKEARN O=C(/C=C\c1csc([N+](=O)[O-])c1)c1cc2c(ccc3ccccc23)o1 ZINC000097179517 201379813 /nfs/dbraw/zinc/37/98/13/201379813.db2.gz JLINVUPDEDFAEP-ALCCZGGFSA-N 0 0 349.367 5.452 50 30 EKEARN CCn1c2ccccc2c2cc(/C=C\C(=O)c3cccs3)ccc21 ZINC000097371902 219016563 /nfs/dbraw/zinc/01/65/63/219016563.db2.gz ADAFURAUUUCJFD-BENRWUELSA-N 0 0 331.440 5.772 50 30 EKEARN O=C(/C=C\c1ccccc1)c1cc2ccc1CCc1ccc(cc1)CC2 ZINC000097405661 219023170 /nfs/dbraw/zinc/02/31/70/219023170.db2.gz KCNFKYAMFRLHAM-VKAVYKQESA-N 0 0 338.450 5.467 50 30 EKEARN O=C(/C=C\c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1Cl ZINC000097411206 219022749 /nfs/dbraw/zinc/02/27/49/219022749.db2.gz VDBTUGSRBUXADC-BENRWUELSA-N 0 0 330.814 5.807 50 30 EKEARN C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000097465044 563640016 /nfs/dbraw/zinc/64/00/16/563640016.db2.gz YFLYRWSEFNZCDM-AWEZNQCLSA-N 0 0 348.368 5.561 50 30 EKEARN C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000097465045 563639951 /nfs/dbraw/zinc/63/99/51/563639951.db2.gz YFLYRWSEFNZCDM-CQSZACIVSA-N 0 0 348.368 5.561 50 30 EKEARN COc1ccc(/C=C\C(=O)c2sc(-c3cccs3)nc2C)cc1 ZINC000097475286 219028758 /nfs/dbraw/zinc/02/87/58/219028758.db2.gz UJYQMIIYJOUHHW-YFHOEESVSA-N 0 0 341.457 5.085 50 30 EKEARN CCCCCCCCCCCCCCCCNC(=O)c1ccco1 ZINC000097940341 563982109 /nfs/dbraw/zinc/98/21/09/563982109.db2.gz UAKNNQZBWKQIKK-UHFFFAOYSA-N 0 0 335.532 6.491 50 30 EKEARN CCCCCCCCCCC(=O)Nc1cc(Cl)ccc1OC ZINC000097941838 563951616 /nfs/dbraw/zinc/95/16/16/563951616.db2.gz ZUYSPAVVYPTDRV-UHFFFAOYSA-N 0 0 325.880 5.818 50 30 EKEARN CCCCCCCCCCCC(=O)Nc1ccc(Cl)cc1F ZINC000097941840 563951592 /nfs/dbraw/zinc/95/15/92/563951592.db2.gz QXKRJBJCPUUXFL-UHFFFAOYSA-N 0 0 327.871 6.339 50 30 EKEARN CCCCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl ZINC000097941844 564016504 /nfs/dbraw/zinc/01/65/04/564016504.db2.gz CDMBOYPOIVMVHK-UHFFFAOYSA-N 0 0 330.299 6.463 50 30 EKEARN CCCCCCCCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000097941845 219062668 /nfs/dbraw/zinc/06/26/68/219062668.db2.gz UNUGTSDVLIANNU-UHFFFAOYSA-N 0 0 330.497 5.808 50 30 EKEARN CCCCCCCCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000097941846 519972713 /nfs/dbraw/zinc/97/27/13/519972713.db2.gz SSMWNVQHAMDODO-UHFFFAOYSA-N 0 0 332.513 5.578 50 30 EKEARN CCCCCCCCC(=O)Nc1ccc(C(=O)OCCCC)cc1 ZINC000097941847 219062054 /nfs/dbraw/zinc/06/20/54/219062054.db2.gz MFCOVPIPGJAHHF-UHFFFAOYSA-N 0 0 333.472 5.333 50 30 EKEARN CCCCCCCCCCCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000097941848 564016474 /nfs/dbraw/zinc/01/64/74/564016474.db2.gz NVFJJTHWLWHPHH-UHFFFAOYSA-N 0 0 333.472 5.333 50 30 EKEARN CCCCCCCCCCCC(=O)NCCc1ccc(OC)cc1 ZINC000097941849 564016480 /nfs/dbraw/zinc/01/64/80/564016480.db2.gz PKJFTXBYDYBPMO-UHFFFAOYSA-N 0 0 333.516 5.275 50 30 EKEARN CCCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000097941850 564016486 /nfs/dbraw/zinc/01/64/86/564016486.db2.gz RKVNQPSVVSJHCA-UHFFFAOYSA-N 0 0 334.460 5.763 50 30 EKEARN CCCCCCCCCCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000097941851 564016500 /nfs/dbraw/zinc/01/65/00/564016500.db2.gz ZEOADEUGYNDCOP-UHFFFAOYSA-N 0 0 334.460 5.164 50 30 EKEARN CCCCCCCCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000097941860 520027263 /nfs/dbraw/zinc/02/72/63/520027263.db2.gz BPTXDPVADIVXBG-MRXNPFEDSA-N 0 0 339.907 5.283 50 30 EKEARN CCCCCCCCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000097941861 563951612 /nfs/dbraw/zinc/95/16/12/563951612.db2.gz BPTXDPVADIVXBG-INIZCTEOSA-N 0 0 339.907 5.283 50 30 EKEARN CCCCCCCNC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000097941865 520054005 /nfs/dbraw/zinc/05/40/05/520054005.db2.gz WDFUZKFMBFYBGN-HXUWFJFHSA-N 0 0 341.520 5.607 50 30 EKEARN CCCCCCCNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000097941866 563982126 /nfs/dbraw/zinc/98/21/26/563982126.db2.gz WDFUZKFMBFYBGN-FQEVSTJZSA-N 0 0 341.520 5.607 50 30 EKEARN CCCCCCCCCCCNC(=O)c1c(Cl)cccc1Cl ZINC000097941870 563951609 /nfs/dbraw/zinc/95/16/09/563951609.db2.gz YOINSSXYFSOHNW-UHFFFAOYSA-N 0 0 344.326 6.254 50 30 EKEARN CCCCCCCCCCCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000097941871 520015274 /nfs/dbraw/zinc/01/52/74/520015274.db2.gz DGOAXYJIZLKPSU-UHFFFAOYSA-N 0 0 344.326 6.254 50 30 EKEARN CCCCCCCCCCCCNC(=O)/C=C/c1ccc(OC)cc1 ZINC000097941874 563951615 /nfs/dbraw/zinc/95/16/15/563951615.db2.gz RTRCCWKMYONIMH-OBGWFSINSA-N 0 0 345.527 5.746 50 30 EKEARN CCCCCCCCCCCCNC(=O)[C@@H](CC)Oc1ccccc1 ZINC000097941875 563951589 /nfs/dbraw/zinc/95/15/89/563951589.db2.gz WQDITLNPSIEZHK-OAQYLSRUSA-N 0 0 347.543 5.881 50 30 EKEARN CCCCCCCCCCCCNC(=O)[C@H](CC)Oc1ccccc1 ZINC000097941876 563951626 /nfs/dbraw/zinc/95/16/26/563951626.db2.gz WQDITLNPSIEZHK-NRFANRHFSA-N 0 0 347.543 5.881 50 30 EKEARN CCCCCCCC/C=C\CCCCCCCC(=O)NC[C@@H](C)O ZINC000097944285 219063141 /nfs/dbraw/zinc/06/31/41/219063141.db2.gz UDZAXLGLNUMCRX-JPMGXVIASA-N 0 0 339.564 5.521 50 30 EKEARN CCCCCCCC/C=C\CCCCCCCC(=O)NC[C@H](C)O ZINC000097944286 219063355 /nfs/dbraw/zinc/06/33/55/219063355.db2.gz UDZAXLGLNUMCRX-PISNEZEASA-N 0 0 339.564 5.521 50 30 EKEARN CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](C)O ZINC000097944292 219063311 /nfs/dbraw/zinc/06/33/11/219063311.db2.gz ZVTDEEBSWIQAFJ-JPMGXVIASA-N 0 0 340.548 5.948 50 30 EKEARN CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](C)O ZINC000097944293 219062942 /nfs/dbraw/zinc/06/29/42/219062942.db2.gz ZVTDEEBSWIQAFJ-PISNEZEASA-N 0 0 340.548 5.948 50 30 EKEARN CCCCCCCCCCCC/C=C/CC/C=C/CCCCCO ZINC000097945761 219063478 /nfs/dbraw/zinc/06/34/78/219063478.db2.gz JTSPNZHBRRBWNU-WSPGMDLHSA-N 0 0 336.604 7.743 50 30 EKEARN CCCCCCCCCC(=O)Nc1cc(N(C)C)nc2ccccc21 ZINC000097949432 568415432 /nfs/dbraw/zinc/41/54/32/568415432.db2.gz HTMLTJVZAKTDCV-UHFFFAOYSA-N 0 0 341.499 5.380 50 30 EKEARN CCCCCCCCCCCCCCCCC#CBr ZINC000097949657 219063623 /nfs/dbraw/zinc/06/36/23/219063623.db2.gz GACSHESBZHCQCM-UHFFFAOYSA-N 0 0 329.366 7.214 50 30 EKEARN CCCCCCCCCCCc1nc2c(ccc3nsnc32)[nH]1 ZINC000097949771 563962220 /nfs/dbraw/zinc/96/22/20/563962220.db2.gz YTRPZFNRKUNOFM-UHFFFAOYSA-N 0 0 330.501 5.641 50 30 EKEARN CCCCCCCCCCCCCC(=O)NC[C@@H](C)c1ccccc1 ZINC000097950600 564125568 /nfs/dbraw/zinc/12/55/68/564125568.db2.gz YQXZMWISLSTURP-OAQYLSRUSA-N 0 0 345.571 6.607 50 30 EKEARN CCCCCCCCCCCCCC(=O)NC[C@H](C)c1ccccc1 ZINC000097950601 564125525 /nfs/dbraw/zinc/12/55/25/564125525.db2.gz YQXZMWISLSTURP-NRFANRHFSA-N 0 0 345.571 6.607 50 30 EKEARN C=CCCCCCCCCc1nc(SCCCCCCC)n[nH]1 ZINC000097951172 563963232 /nfs/dbraw/zinc/96/32/32/563963232.db2.gz NOJAAQZBXMZDCE-UHFFFAOYSA-N 0 0 337.577 6.326 50 30 EKEARN CCCCCCCCSc1n[nH]c(CCCCCCCC)n1 ZINC000097952121 563963237 /nfs/dbraw/zinc/96/32/37/563963237.db2.gz KQJXXEUARJOCNY-UHFFFAOYSA-N 0 0 325.566 6.160 50 30 EKEARN CCCCCCCCCCCCCCCCN1CNC(=S)NC1 ZINC000097952157 519998455 /nfs/dbraw/zinc/99/84/55/519998455.db2.gz AAWLVDRQCJWLBM-UHFFFAOYSA-N 0 0 341.609 5.162 50 30 EKEARN CCCCCCCCCNc1ncnc2c3cc(F)ccc3[nH]c21 ZINC000097954109 563963358 /nfs/dbraw/zinc/96/33/58/563963358.db2.gz YEXSTYMOYAMSMI-UHFFFAOYSA-N 0 0 328.435 5.413 50 30 EKEARN CCCCCCCn1c2ccc(OC)cc2c2nc3ccccc3nc21 ZINC000097955274 219065076 /nfs/dbraw/zinc/06/50/76/219065076.db2.gz ZEVNCRFRXWZTEZ-UHFFFAOYSA-N 0 0 347.462 5.717 50 30 EKEARN CCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12 ZINC000097956544 519981481 /nfs/dbraw/zinc/98/14/81/519981481.db2.gz MKNMHNBIWPBTTO-UHFFFAOYSA-N 0 0 342.527 5.748 50 30 EKEARN CCCCCCCCCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000097960063 563967567 /nfs/dbraw/zinc/96/75/67/563967567.db2.gz BYIMBQZDQROFTN-UHFFFAOYSA-N 0 0 346.540 5.968 50 30 EKEARN CCCCCCCCCCCCCCC(C)N=Nc1ccccc1 ZINC000097965556 563967776 /nfs/dbraw/zinc/96/77/76/563967776.db2.gz IVKMHNNPQCDPCZ-XTQSDGFTSA-N 0 0 330.560 7.566 50 30 EKEARN CCCCCCC[C@@H]1C(=O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000097966124 563982105 /nfs/dbraw/zinc/98/21/05/563982105.db2.gz XGOHLQCHAGLKHP-GPXNEJASSA-N 0 0 349.518 6.008 50 30 EKEARN CCCCCCC[C@@H]1C(=O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000097966126 563982098 /nfs/dbraw/zinc/98/20/98/563982098.db2.gz XGOHLQCHAGLKHP-AOHZBQACSA-N 0 0 349.518 6.008 50 30 EKEARN CCCCCCCCCCCCCCCC(=O)Oc1ccc(N)cc1 ZINC000097973081 563968364 /nfs/dbraw/zinc/96/83/64/563968364.db2.gz ZMAALEGLEWQNKR-UHFFFAOYSA-N 0 0 347.543 6.656 50 30 EKEARN CCCCCCCCCCCCCCCCCCOC(=O)CN ZINC000097973102 563968393 /nfs/dbraw/zinc/96/83/93/563968393.db2.gz MKPPFDFPOPEGQC-UHFFFAOYSA-N 0 0 327.553 5.750 50 30 EKEARN CCCCCCCCCCCCNC(=O)Nc1ccc(Cl)cc1 ZINC000097976925 563982141 /nfs/dbraw/zinc/98/21/41/563982141.db2.gz PMTULTQPXJVQKD-UHFFFAOYSA-N 0 0 338.923 6.382 50 30 EKEARN CCCCCCCCCCNC(=O)Nc1cccc2ccccc21 ZINC000097976929 520019732 /nfs/dbraw/zinc/01/97/32/520019732.db2.gz VNQJZOHZEKGETG-UHFFFAOYSA-N 0 0 326.484 6.102 50 30 EKEARN CCCCCCCCCCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000097977010 563982168 /nfs/dbraw/zinc/98/21/68/563982168.db2.gz OZXVFRZWYWZUBU-UHFFFAOYSA-N 0 0 347.524 5.259 50 30 EKEARN CCCCCCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000097977012 563982144 /nfs/dbraw/zinc/98/21/44/563982144.db2.gz VZAHTJSOCXSRQK-UHFFFAOYSA-N 0 0 334.460 5.246 50 30 EKEARN COc1ccc2c(c1)CC/C(=C\c1cccc(Cl)c1Cl)C2=O ZINC000097993413 219066814 /nfs/dbraw/zinc/06/68/14/219066814.db2.gz SZEFXILUBHCOTF-UKTHLTGXSA-N 0 0 333.214 5.215 50 30 EKEARN CCCCCCCc1ccc(-c2ccc(Br)cc2)nc1 ZINC000097998421 520070387 /nfs/dbraw/zinc/07/03/87/520070387.db2.gz DRIWDNDRRNGMGF-UHFFFAOYSA-N 0 0 332.285 6.024 50 30 EKEARN CCCCCCCCCc1ccc(-c2nc3ccccc3c(=O)o2)cc1 ZINC000097998439 219067082 /nfs/dbraw/zinc/06/70/82/219067082.db2.gz LCFDIZCXADPWSM-UHFFFAOYSA-N 0 0 349.474 6.148 50 30 EKEARN CCCCCCCCCc1ccc(C(=O)Nc2nnc(C)s2)cc1 ZINC000097998440 219067666 /nfs/dbraw/zinc/06/76/66/219067666.db2.gz RLFJGNFDYXUMSQ-UHFFFAOYSA-N 0 0 345.512 5.392 50 30 EKEARN CCCCCCCCCCOC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000098001172 563970920 /nfs/dbraw/zinc/97/09/20/563970920.db2.gz MPYXGCDXOYEDKQ-UHFFFAOYSA-N 0 0 341.879 6.038 50 30 EKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000098001375 563970919 /nfs/dbraw/zinc/97/09/19/563970919.db2.gz QJUGCSICZSOGCO-UHFFFAOYSA-N 0 0 333.472 5.331 50 30 EKEARN CCCCCCCCCCCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000098001584 519984088 /nfs/dbraw/zinc/98/40/88/519984088.db2.gz XPAVNCUJRWZCSI-UHFFFAOYSA-N 0 0 346.540 5.968 50 30 EKEARN CCCCCCCCCCCCSc1nc(C)cc2c1C(=O)OC2 ZINC000098008421 563971057 /nfs/dbraw/zinc/97/10/57/563971057.db2.gz KVRZCZNNPLEZFL-UHFFFAOYSA-N 0 0 349.540 6.073 50 30 EKEARN CCCCCCCCC(=O)N1CCS[C@@H]1c1ccc(C)cc1C ZINC000098019604 219070344 /nfs/dbraw/zinc/07/03/44/219070344.db2.gz NZJXPVDEYILWRV-HXUWFJFHSA-N 0 0 333.541 5.628 50 30 EKEARN CCCCCCCCC(=O)N1CCS[C@H]1c1ccc(C)cc1C ZINC000098019605 203979102 /nfs/dbraw/zinc/97/91/02/203979102.db2.gz NZJXPVDEYILWRV-FQEVSTJZSA-N 0 0 333.541 5.628 50 30 EKEARN CCCCCCCCNC(=O)CCCC(=O)CCCCCCC ZINC000098043295 219073686 /nfs/dbraw/zinc/07/36/86/219073686.db2.gz VZDPFXHWDIXVKD-UHFFFAOYSA-N 0 0 325.537 5.563 50 30 EKEARN C/C(=N\c1ccccc1)c1cccc(OP(C(C)C)C(C)C)n1 ZINC000098043385 219073723 /nfs/dbraw/zinc/07/37/23/219073723.db2.gz GVHADKSBTYHZGL-CAPFRKAQSA-N 0 0 328.396 5.815 50 30 EKEARN CCCCCCCCCc1ccc(C#Cc2ccc(C#N)cn2)cc1 ZINC000098044806 563971703 /nfs/dbraw/zinc/97/17/03/563971703.db2.gz WJYLCXVAZYJWKP-UHFFFAOYSA-N 0 0 330.475 5.646 50 30 EKEARN CCCCCCCNC(=O)c1csc(Nc2ccc(C)c(C)c2)n1 ZINC000098045178 219073292 /nfs/dbraw/zinc/07/32/92/219073292.db2.gz RRRYFKCKXVIAHL-UHFFFAOYSA-N 0 0 345.512 5.204 50 30 EKEARN CCCCCCCc1noc(C2CCC(c3ccccc3)CC2)n1 ZINC000098048936 219073455 /nfs/dbraw/zinc/07/34/55/219073455.db2.gz UJUJAMGZALFAOJ-UHFFFAOYSA-N 0 0 326.484 6.024 50 30 EKEARN CCCCCCCCNc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000098050306 563982207 /nfs/dbraw/zinc/98/22/07/563982207.db2.gz LFOPSASZPJTDNO-UHFFFAOYSA-N 0 0 334.467 5.440 50 30 EKEARN O=C(/C(=C\c1ccncc1)c1nc2ccccc2s1)c1ccccc1 ZINC000098053777 219074510 /nfs/dbraw/zinc/07/45/10/219074510.db2.gz XWNDTWIHFXMPJM-SAPNQHFASA-N 0 0 342.423 5.115 50 30 EKEARN Cc1c2ccccc2oc1C(=O)/C=C\c1cnc(-c2ccccc2)nc1 ZINC000098054986 219074242 /nfs/dbraw/zinc/07/42/42/219074242.db2.gz IQOIGRXMCZAZJA-QXMHVHEDSA-N 0 0 340.382 5.094 50 30 EKEARN N#Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccccc1 ZINC000098071654 219077501 /nfs/dbraw/zinc/07/75/01/219077501.db2.gz XUFKMNGEUDCIIV-UHFFFAOYSA-N 0 0 330.334 5.368 50 30 EKEARN N#Cc1ccc(-c2csc(-c3cc(-c4ccccc4)ccn3)n2)cc1 ZINC000098072719 563974497 /nfs/dbraw/zinc/97/44/97/563974497.db2.gz XFKANBWDJHBFDV-UHFFFAOYSA-N 0 0 339.423 5.411 50 30 EKEARN Cc1ccccc1-c1nc2ccc(/N=C/c3ccccc3O)cc2o1 ZINC000098086878 219082013 /nfs/dbraw/zinc/08/20/13/219082013.db2.gz WINKGMZCCQBJEQ-LPYMAVHISA-N 0 0 328.371 5.259 50 30 EKEARN CCc1ccc(-c2nc3ccc(/N=C/c4ccccc4O)cc3o2)cc1 ZINC000098086880 563982209 /nfs/dbraw/zinc/98/22/09/563982209.db2.gz FREWCALUCBNZGA-OEAKJJBVSA-N 0 0 342.398 5.513 50 30 EKEARN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\C[C@H](OCC)OC1=O ZINC000098214428 219088376 /nfs/dbraw/zinc/08/83/76/219088376.db2.gz HUJJMXMBEMUVOX-DUUNTCLCSA-N 0 0 346.511 5.411 50 30 EKEARN Clc1ccc(C(N=Nc2ccccc2)N=Nc2ccccc2)cc1 ZINC000100001087 563982259 /nfs/dbraw/zinc/98/22/59/563982259.db2.gz GGXMARXENIIWPQ-IEDQNEBGSA-N 0 0 334.810 5.898 50 30 EKEARN COc1ccc(C(N=Nc2ccccc2)N=Nc2ccccc2)cc1 ZINC000100001094 563982273 /nfs/dbraw/zinc/98/22/73/563982273.db2.gz FKTMYMAIOJZZLV-JVVTXYFXSA-N 0 0 330.391 5.253 50 30 EKEARN CC[C@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC000100003274 219088039 /nfs/dbraw/zinc/08/80/39/219088039.db2.gz OYZITXKNUGHHKV-MOBUCQHHSA-N 0 0 333.431 5.347 50 30 EKEARN CCC[C@H]1CC[C@H](c2ccc(C#Cc3ccc(CC)cc3)cc2)CC1 ZINC000100003411 219088066 /nfs/dbraw/zinc/08/80/66/219088066.db2.gz VWBHMDVHVYVIAR-PEPAQOBHSA-N 0 0 330.515 6.723 50 30 EKEARN CCC[C@H]1CC[C@H](c2ccc(C#Cc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000100003671 219087871 /nfs/dbraw/zinc/08/78/71/219087871.db2.gz QIIFDEDLUFVBCI-RVWIWJKTSA-N 0 0 345.461 6.171 50 30 EKEARN CCC[C@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC000100003729 219087947 /nfs/dbraw/zinc/08/79/47/219087947.db2.gz YVEDSNAPDAXLDD-UEDWGHLCSA-N 0 0 347.458 5.737 50 30 EKEARN CC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)CC1 ZINC000100003796 564075160 /nfs/dbraw/zinc/07/51/60/564075160.db2.gz QSXYPHAWOSQCHP-MAEOIBBWSA-N 0 0 333.431 5.461 50 30 EKEARN CCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)CC1 ZINC000100003805 564075183 /nfs/dbraw/zinc/07/51/83/564075183.db2.gz OOACYHPBBJELLX-IZAXUBKRSA-N 0 0 347.458 5.851 50 30 EKEARN CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC000100003890 219087956 /nfs/dbraw/zinc/08/79/56/219087956.db2.gz QKEBUASRTJNJJS-TYKWCNGQSA-N 0 0 331.503 7.079 50 30 EKEARN CCOc1ccccc1/C=N/c1ccccc1C(=O)Nc1ccccc1 ZINC000100004077 219088404 /nfs/dbraw/zinc/08/84/04/219088404.db2.gz NWVFFHZQABIZMB-XQNSMLJCSA-N 0 0 344.414 5.088 50 30 EKEARN CCCCCCCCCCCCCCCCCCOC(=O)CS ZINC000100005390 219088318 /nfs/dbraw/zinc/08/83/18/219088318.db2.gz JQTFPHLEQLLQOT-UHFFFAOYSA-N 0 0 344.605 6.721 50 30 EKEARN CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC(=O)c1ccc(-c3ccccc3)cc1)C2 ZINC000100006270 219087914 /nfs/dbraw/zinc/08/79/14/219087914.db2.gz AOWSCJKKFKCUOW-WOAKVDTOSA-N 0 0 347.458 5.713 50 30 EKEARN CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC(=O)c1ccc(Cl)cc1Cl)C2 ZINC000100006277 563982266 /nfs/dbraw/zinc/98/22/66/563982266.db2.gz REBJMFRQDKSDHF-OTILVPNISA-N 0 0 340.250 5.352 50 30 EKEARN CCCCCCCCCCCCc1ccsc1Br ZINC000100007504 563982274 /nfs/dbraw/zinc/98/22/74/563982274.db2.gz IMILVTHOOISGRW-UHFFFAOYSA-N 0 0 331.363 6.974 50 30 EKEARN CCCCCCCCCCCCCCCCC(=O)c1ccccc1 ZINC000100008156 519989638 /nfs/dbraw/zinc/98/96/38/519989638.db2.gz VUXIOSYYRVXOOT-UHFFFAOYSA-N 0 0 330.556 7.741 50 30 EKEARN COc1ccc(C(N=Nc2ccccc2)N=Nc2ccccc2)cc1 ZINC000100010420 563976420 /nfs/dbraw/zinc/97/64/20/563976420.db2.gz FKTMYMAIOJZZLV-FWOYJBNGSA-N 0 0 330.391 5.253 50 30 EKEARN CCCCCCCCOC(=O)CCCCC(=O)OCc1ccccc1 ZINC000100012653 563982275 /nfs/dbraw/zinc/98/22/75/563982275.db2.gz DECACTMEFWAFRE-UHFFFAOYSA-N 0 0 348.483 5.194 50 30 EKEARN CCCCCCCOc1ccc(C(=O)Nc2cc(N)ccc2C)cc1 ZINC000100013147 219088073 /nfs/dbraw/zinc/08/80/73/219088073.db2.gz FHBINTVHEPGITB-UHFFFAOYSA-N 0 0 340.467 5.179 50 30 EKEARN CCCCCCCOc1ccc(C(=O)Nc2cccc(N)c2C)cc1 ZINC000100013366 219088268 /nfs/dbraw/zinc/08/82/68/219088268.db2.gz LJFNGVUSXQXTKS-UHFFFAOYSA-N 0 0 340.467 5.179 50 30 EKEARN CCCCCCCOc1ccc(C(=O)Nc2ccc(N)cc2C)cc1 ZINC000100013476 563982268 /nfs/dbraw/zinc/98/22/68/563982268.db2.gz ARKLNIGSVSKJFK-UHFFFAOYSA-N 0 0 340.467 5.179 50 30 EKEARN CCCCCCCOc1ccc(C(=O)Nc2cc(N)ccc2F)cc1 ZINC000100013689 563982260 /nfs/dbraw/zinc/98/22/60/563982260.db2.gz YGBTXJSZJSGZGE-UHFFFAOYSA-N 0 0 344.430 5.009 50 30 EKEARN CCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCC ZINC000100016966 219087950 /nfs/dbraw/zinc/08/79/50/219087950.db2.gz TVWTZAGVNBPXHU-FOCLMDBBSA-N 0 0 340.504 5.350 50 30 EKEARN CCCCCCCCCCCCOC(=O)c1ccc(Cl)c(N)c1 ZINC000100017388 563982288 /nfs/dbraw/zinc/98/22/88/563982288.db2.gz PFDZHCMFQQMXSB-UHFFFAOYSA-N 0 0 339.907 6.000 50 30 EKEARN CCCCCCCCCCCCCCP(=O)(OCC)OCC ZINC000100022568 520007816 /nfs/dbraw/zinc/00/78/16/520007816.db2.gz CPWIYYOBPHXJIA-UHFFFAOYSA-N 0 0 334.481 6.954 50 30 EKEARN CCCCCCCCCCCCCCCCCCCCCCS ZINC000100024357 219088421 /nfs/dbraw/zinc/08/84/21/219088421.db2.gz NNZMLOHQRXHPOZ-UHFFFAOYSA-N 0 0 342.677 8.738 50 30 EKEARN CCCCCCCOc1ccc(CNc2ccc(C)c(C)c2)cc1 ZINC000100024576 563982282 /nfs/dbraw/zinc/98/22/82/563982282.db2.gz WUZQJVAFJNTITP-UHFFFAOYSA-N 0 0 325.496 6.265 50 30 EKEARN CCCCCCCOc1ccc(CNc2ccc(OC)cc2)cc1 ZINC000100025303 563982303 /nfs/dbraw/zinc/98/23/03/563982303.db2.gz QGIGLNGWEHFFLT-UHFFFAOYSA-N 0 0 327.468 5.657 50 30 EKEARN CCCCCCCCCCCCCCCCOc1ccc(N)cc1 ZINC000100026263 520000498 /nfs/dbraw/zinc/00/04/98/520000498.db2.gz DETPMDIIFZGDAE-UHFFFAOYSA-N 0 0 333.560 7.129 50 30 EKEARN O=C(C=CNc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000100029058 564023825 /nfs/dbraw/zinc/02/38/25/564023825.db2.gz SJNXAHLIPTTYGY-KNYYAHOCSA-N 0 0 336.616 5.404 50 30 EKEARN CCCCCCCOc1ccc(CNc2ccccc2OC)cc1 ZINC000100029083 563982295 /nfs/dbraw/zinc/98/22/95/563982295.db2.gz QJPCBMBYNOUCLD-UHFFFAOYSA-N 0 0 327.468 5.657 50 30 EKEARN CCCCCCCCCCCCSC(=S)SC(C)(C)C#N ZINC000100032800 563982293 /nfs/dbraw/zinc/98/22/93/563982293.db2.gz QSVOWVXHKOQYIP-UHFFFAOYSA-N 0 0 345.643 6.961 50 30 EKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000100033101 219089422 /nfs/dbraw/zinc/08/94/22/219089422.db2.gz XVZBPJGSCADVSP-CZPSDBATSA-N 0 0 330.347 5.761 50 30 EKEARN CN(C)c1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000100033186 522136583 /nfs/dbraw/zinc/13/65/83/522136583.db2.gz ANVNKXRBBOYIFU-NFMUHJAXSA-N 0 0 328.419 5.919 50 30 EKEARN O=[N+]([O-])c1cccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c1 ZINC000100033483 219089425 /nfs/dbraw/zinc/08/94/25/219089425.db2.gz WWRKYXPXQZJAGM-CZPSDBATSA-N 0 0 330.347 5.761 50 30 EKEARN Oc1ccc(Cl)cc1/C=N/c1ccc(Cl)cc1C(F)(F)F ZINC000100037401 219089066 /nfs/dbraw/zinc/08/90/66/219089066.db2.gz IHQBDWZKLACLPU-IFRROFPPSA-N 0 0 334.124 5.468 50 30 EKEARN CCCCCCCCCCCCCCCCNC(=O)c1ccccc1 ZINC000100038678 563982314 /nfs/dbraw/zinc/98/23/14/563982314.db2.gz SYMHECFNEKMWIA-UHFFFAOYSA-N 0 0 345.571 6.898 50 30 EKEARN CCCCCCCOc1cccc(NCCOc2cccc(C)c2)c1 ZINC000100038794 520063884 /nfs/dbraw/zinc/06/38/84/520063884.db2.gz CRIWXWOMOSMEFT-UHFFFAOYSA-N 0 0 341.495 5.835 50 30 EKEARN CCCCCCCOc1cccc(NCCOc2ccccc2C)c1 ZINC000100038798 563982306 /nfs/dbraw/zinc/98/23/06/563982306.db2.gz MELBAKYWIYYNLE-UHFFFAOYSA-N 0 0 341.495 5.835 50 30 EKEARN CCCCCCCOc1cccc(NCCc2ccc(Cl)cc2)c1 ZINC000100038928 563982310 /nfs/dbraw/zinc/98/23/10/563982310.db2.gz DOWIUAOCUCCJPA-UHFFFAOYSA-N 0 0 345.914 6.344 50 30 EKEARN CCCCCCCCNc1cccc(OCCc2ccccc2)c1 ZINC000100039777 520039914 /nfs/dbraw/zinc/03/99/14/520039914.db2.gz FDXWOFJFDKSMPR-UHFFFAOYSA-N 0 0 325.496 6.081 50 30 EKEARN Cc1ccc2cc3c(nc2c1)-c1ccccc1/C3=N/C1CCCCC1 ZINC000100044213 219088935 /nfs/dbraw/zinc/08/89/35/219088935.db2.gz ZIIRBUUNZBYCQV-GYHWCHFESA-N 0 0 326.443 5.694 50 30 EKEARN N#Cc1c(/N=C/c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000100047441 219089200 /nfs/dbraw/zinc/08/92/00/219089200.db2.gz JXPPWINEUSTLGB-YZSQISJMSA-N 0 0 348.405 6.236 50 30 EKEARN CCCCCCCNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000100047631 258068759 /nfs/dbraw/zinc/06/87/59/258068759.db2.gz RVKCUTRJMJKOLA-UHFFFAOYSA-N 0 0 346.298 5.239 50 30 EKEARN CCCCCCCCCCCCCCOc1ccccc1[N+](=O)[O-] ZINC000100050461 258068755 /nfs/dbraw/zinc/06/87/55/258068755.db2.gz PZZKFDTVGVZNJP-UHFFFAOYSA-N 0 0 335.488 6.675 50 30 EKEARN CCCCCCCCCCCCCCCCOc1ccc(O)cc1 ZINC000100057393 564177737 /nfs/dbraw/zinc/17/77/37/564177737.db2.gz CWTMUDGIRYDDHJ-UHFFFAOYSA-N 0 0 334.544 7.252 50 30 EKEARN c1ccc(CSC2=Nc3ccccc3C2=NNc2ccccc2)cc1 ZINC000100058930 219090222 /nfs/dbraw/zinc/09/02/22/219090222.db2.gz PPKULIMWVFVQOH-GFMRDNFCSA-N 0 0 343.455 5.480 50 30 EKEARN CCCCCCCCCCCCCCCCCC(=O)CC(=O)OC ZINC000100061626 219089931 /nfs/dbraw/zinc/08/99/31/219089931.db2.gz ZHYWEHNCZJJFQZ-UHFFFAOYSA-N 0 0 340.548 6.380 50 30 EKEARN CCCCCCCCCCCCCCCCCCCc1ccccc1 ZINC000100063515 258068744 /nfs/dbraw/zinc/06/87/44/258068744.db2.gz SHWJJBRTHGGZBE-UHFFFAOYSA-N 0 0 344.627 8.881 50 30 EKEARN CC(=O)C(=CNc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 ZINC000100068203 219089636 /nfs/dbraw/zinc/08/96/36/219089636.db2.gz UBOPQGPKEILRNR-XAFFKLEKSA-N 0 0 341.414 6.144 50 30 EKEARN CC(=O)C(=CNc1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000100068229 258068726 /nfs/dbraw/zinc/06/87/26/258068726.db2.gz OPJCKURFCVCIHJ-JWGURIENSA-N 0 0 329.399 5.521 50 30 EKEARN CC(=O)C(=CNc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000100068232 219090038 /nfs/dbraw/zinc/09/00/38/219090038.db2.gz HMLQPPDYDWEYNE-XQNSMLJCSA-N 0 0 343.426 5.308 50 30 EKEARN CC(=O)c1ccccc1NC=CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000100068498 258068733 /nfs/dbraw/zinc/06/87/33/258068733.db2.gz FSOUNGUVRXZSSD-FOCLMDBBSA-N 0 0 341.410 5.365 50 30 EKEARN CCCCCCCCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 ZINC000100068595 563982333 /nfs/dbraw/zinc/98/23/33/563982333.db2.gz GIOGHVDWRUZMMZ-UHFFFAOYSA-N 0 0 342.526 7.924 50 30 EKEARN CCCCCCCCCCCCCCCc1nc2ccccc2[nH]1 ZINC000100069865 258068713 /nfs/dbraw/zinc/06/87/13/258068713.db2.gz ZXJQADBOFUIAFL-UHFFFAOYSA-N 0 0 328.544 7.197 50 30 EKEARN CCCCCCCP(=O)(CCCCCCC)CCCCCCC ZINC000100072397 219091118 /nfs/dbraw/zinc/09/11/18/219091118.db2.gz KNFWHHCXXKWASF-UHFFFAOYSA-N 0 0 344.564 8.261 50 30 EKEARN CC(C)[C@@]1(C)CC[C@@H](C)/C(=C\c2cccc(Cl)c2Cl)C1=O ZINC000100080465 219091007 /nfs/dbraw/zinc/09/10/07/219091007.db2.gz GGHFMFVEFSJANJ-YMHQIUNTSA-N 0 0 325.279 6.038 50 30 EKEARN CCCCCCCCCCOCOCCCCCCCCCC ZINC000100082158 219090544 /nfs/dbraw/zinc/09/05/44/219090544.db2.gz MIBVRIDSRVAIDP-UHFFFAOYSA-N 0 0 328.581 7.259 50 30 EKEARN CCCCCCCCCCCCCCCCCCc1ccc(N)cc1 ZINC000100085904 519995943 /nfs/dbraw/zinc/99/59/43/519995943.db2.gz CCRTYBGROAGVGK-UHFFFAOYSA-N 0 0 345.615 8.073 50 30 EKEARN CC(Nc1ccccc1Br)=C1Sc2ccccc2C1=O ZINC000100094111 219090869 /nfs/dbraw/zinc/09/08/69/219090869.db2.gz RNXCJUGVVAGTMH-YBEGLDIGSA-N 0 0 346.249 5.081 50 30 EKEARN CC(Nc1ccccc1Br)=C1Sc2ccccc2C1=O ZINC000100094113 219090510 /nfs/dbraw/zinc/09/05/10/219090510.db2.gz RNXCJUGVVAGTMH-MHWRWJLKSA-N 0 0 346.249 5.081 50 30 EKEARN CC(Nc1cccc(Br)c1)=C1Sc2ccccc2C1=O ZINC000100094442 206216384 /nfs/dbraw/zinc/21/63/84/206216384.db2.gz KHTSANYAQYHGBZ-YBEGLDIGSA-N 0 0 346.249 5.081 50 30 EKEARN CC(Nc1cccc(Br)c1)=C1Sc2ccccc2C1=O ZINC000100094445 219090919 /nfs/dbraw/zinc/09/09/19/219090919.db2.gz KHTSANYAQYHGBZ-MHWRWJLKSA-N 0 0 346.249 5.081 50 30 EKEARN CC(Nc1ccc(Br)cc1)=C1Sc2ccccc2C1=O ZINC000100094867 206217023 /nfs/dbraw/zinc/21/70/23/206217023.db2.gz KLCVFAVYWPRQIP-YBEGLDIGSA-N 0 0 346.249 5.081 50 30 EKEARN CC(Nc1ccc(Br)cc1)=C1Sc2ccccc2C1=O ZINC000100094869 219090809 /nfs/dbraw/zinc/09/08/09/219090809.db2.gz KLCVFAVYWPRQIP-MHWRWJLKSA-N 0 0 346.249 5.081 50 30 EKEARN CC1(C)CC(=O)C=C(C=CNc2ccc(Oc3ccccc3)cc2)C1 ZINC000100098520 563982355 /nfs/dbraw/zinc/98/23/55/563982355.db2.gz BEFCHESAMXRLGJ-OUKQBFOZSA-N 0 0 333.431 5.720 50 30 EKEARN CC1(C)CC(=O)C=C(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 ZINC000100098695 219090637 /nfs/dbraw/zinc/09/06/37/219090637.db2.gz XRJXLDAAFAVWRW-DAFNUICNSA-N 0 0 349.518 6.489 50 30 EKEARN CC12C[C@H]3C[C@@H](C1)CC(C/N=C/c1c(O)ccc4ccccc41)(C3)C2 ZINC000100100042 219091701 /nfs/dbraw/zinc/09/17/01/219091701.db2.gz FHOMMXBZDRGRMN-RKLVHNIUSA-N 0 0 333.475 5.571 50 30 EKEARN Cc1ccc(NC=Cc2onc(-c3ccccc3Cl)c2C#N)cc1C ZINC000100102401 219091958 /nfs/dbraw/zinc/09/19/58/219091958.db2.gz LSIAMBSCPZWFCG-MDZDMXLPSA-N 0 0 349.821 5.566 50 30 EKEARN Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1C#N ZINC000100102753 219091862 /nfs/dbraw/zinc/09/18/62/219091862.db2.gz UDHGUSHYZVOPRB-AFUMVMLFSA-N 0 0 344.389 5.335 50 30 EKEARN Cc1ccc(/N=C/c2cc3cccc(C)c3nc2Cl)cc1Cl ZINC000100105849 203990592 /nfs/dbraw/zinc/99/05/92/203990592.db2.gz XVODDDNHKKXBQH-UFFVCSGVSA-N 0 0 329.230 5.909 50 30 EKEARN Cc1nc(-c2ccccc2)sc1C(=O)C=CNc1ccc(C)cc1 ZINC000100109175 219091416 /nfs/dbraw/zinc/09/14/16/219091416.db2.gz IWZSEUPKWOUSBQ-OUKQBFOZSA-N 0 0 334.444 5.235 50 30 EKEARN Cc1cccc2cc(/C=N/c3cccc(Cl)c3Cl)c(Cl)nc12 ZINC000100110279 219091356 /nfs/dbraw/zinc/09/13/56/219091356.db2.gz PPHBNYNHSLEPAS-ZVBGSRNCSA-N 0 0 349.648 6.254 50 30 EKEARN Cc1cccc2cc(/C=N/c3ccc(Cl)cc3Cl)c(Cl)nc12 ZINC000100110282 219091805 /nfs/dbraw/zinc/09/18/05/219091805.db2.gz XHJJAOQFESUAKV-ZVBGSRNCSA-N 0 0 349.648 6.254 50 30 EKEARN Cc1cccc2cc(/C=N/c3cc(Cl)ccc3Cl)c(Cl)nc12 ZINC000100110283 563982357 /nfs/dbraw/zinc/98/23/57/563982357.db2.gz UTHMLWWIEBMBQP-ZVBGSRNCSA-N 0 0 349.648 6.254 50 30 EKEARN Cc1cccc2cc(/C=N/c3ccc(Cl)c(Cl)c3)c(Cl)nc12 ZINC000100110287 219091300 /nfs/dbraw/zinc/09/13/00/219091300.db2.gz HMRCEGHDQRKCQK-ZVBGSRNCSA-N 0 0 349.648 6.254 50 30 EKEARN Cc1cccc2cc(/C=N/c3cc(Cl)cc(Cl)c3)c(Cl)nc12 ZINC000100110290 563982359 /nfs/dbraw/zinc/98/23/59/563982359.db2.gz ZQPQQCHCEKEBEW-ZVBGSRNCSA-N 0 0 349.648 6.254 50 30 EKEARN Cc1cc(C)cc(/N=C2/c3ccccc3N(c3ccccc3)C2=O)c1 ZINC000100111292 563983348 /nfs/dbraw/zinc/98/33/48/563983348.db2.gz BFPPOJSNKOGZKR-LNVKXUELSA-N 0 0 326.399 5.103 50 30 EKEARN Cc1ccc(NC=CC(=O)c2cnc(-c3ccccc3)s2)c(C)c1 ZINC000100114043 219091373 /nfs/dbraw/zinc/09/13/73/219091373.db2.gz SELVFFVGXMOFAW-ZHACJKMWSA-N 0 0 334.444 5.235 50 30 EKEARN Cc1cc(/C=N/c2ccccc2F)c(C)n1-c1ccc(Cl)cc1 ZINC000100116527 219091305 /nfs/dbraw/zinc/09/13/05/219091305.db2.gz DXUPSHWOVYQEMJ-WSDLNYQXSA-N 0 0 326.802 5.637 50 30 EKEARN Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000100116689 563983391 /nfs/dbraw/zinc/98/33/91/563983391.db2.gz CKIWYZSLXMAOLG-WSDLNYQXSA-N 0 0 343.257 6.152 50 30 EKEARN CC1=Nc2ccccc2N=C2C[C@@H](c3cccc(Cl)c3)CC(=O)C21 ZINC000100128234 203990820 /nfs/dbraw/zinc/99/08/20/203990820.db2.gz KLFORTXALYJXRJ-CQSZACIVSA-N 0 0 336.822 5.259 50 30 EKEARN CC1=Nc2ccccc2N=C2C[C@H](c3cccc(Cl)c3)CC(=O)C21 ZINC000100128239 219091465 /nfs/dbraw/zinc/09/14/65/219091465.db2.gz KLFORTXALYJXRJ-AWEZNQCLSA-N 0 0 336.822 5.259 50 30 EKEARN CCCCCCCCCCCCCC(=O)OC[C@@H](CC)CCCC ZINC000100128617 219091731 /nfs/dbraw/zinc/09/17/31/219091731.db2.gz GRXOKLJPWSYWIA-NRFANRHFSA-N 0 0 340.592 7.447 50 30 EKEARN CCCCCCCCCCCCCC(=O)OC[C@H](CC)CCCC ZINC000100128620 564177732 /nfs/dbraw/zinc/17/77/32/564177732.db2.gz GRXOKLJPWSYWIA-OAQYLSRUSA-N 0 0 340.592 7.447 50 30 EKEARN CC(C)c1ccc([C@H]2CC(=O)C3C=Nc4ccccc4N=C3C2)cc1 ZINC000100128940 219091674 /nfs/dbraw/zinc/09/16/74/219091674.db2.gz TYLCGUDHDGKYGZ-QGZVFWFLSA-N 0 0 330.431 5.339 50 30 EKEARN CC(C)c1ccc([C@@H]2CC(=O)C3C=Nc4ccccc4N=C3C2)cc1 ZINC000100128944 219091892 /nfs/dbraw/zinc/09/18/92/219091892.db2.gz TYLCGUDHDGKYGZ-KRWDZBQOSA-N 0 0 330.431 5.339 50 30 EKEARN CC1=Nc2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C21 ZINC000100128987 563982371 /nfs/dbraw/zinc/98/23/71/563982371.db2.gz GDPOVYKDKPTVGT-CQSZACIVSA-N 0 0 336.822 5.259 50 30 EKEARN CC1=Nc2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C21 ZINC000100128992 219091850 /nfs/dbraw/zinc/09/18/50/219091850.db2.gz GDPOVYKDKPTVGT-AWEZNQCLSA-N 0 0 336.822 5.259 50 30 EKEARN Cc1ccc(C)n1-c1ccc(C(=O)C=CNc2ccc(C)cc2)cc1 ZINC000100133871 219092755 /nfs/dbraw/zinc/09/27/55/219092755.db2.gz OIGCCNRYPMGGSX-CCEZHUSRSA-N 0 0 330.431 5.211 50 30 EKEARN CCCCCCCCCCCCCCCCCCc1ccc(O)cc1 ZINC000100140319 519997473 /nfs/dbraw/zinc/99/74/73/519997473.db2.gz QIZUBPHXHVWGHD-UHFFFAOYSA-N 0 0 346.599 8.196 50 30 EKEARN Cc1ccc(/N=C/c2ccc(OC(F)(F)F)cc2)c2c1CC(C)(C)O2 ZINC000100142049 219092612 /nfs/dbraw/zinc/09/26/12/219092612.db2.gz JHWQNEVSLOYOTF-FOKLQQMPSA-N 0 0 349.352 5.358 50 30 EKEARN CCC(=CC(=O)c1ccccc1)Nc1ccc(Br)cc1 ZINC000100157850 219093068 /nfs/dbraw/zinc/09/30/68/219093068.db2.gz DKBYZZQCTBILSZ-QINSGFPZSA-N 0 0 330.225 5.038 50 30 EKEARN CCc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000100160551 219093293 /nfs/dbraw/zinc/09/32/93/219093293.db2.gz RWOZOZVJEXWPLZ-OEAKJJBVSA-N 0 0 336.866 6.061 50 30 EKEARN CCCCCCCc1ccc(C(=O)c2ccnc3ccccc32)cc1 ZINC000100165744 563982388 /nfs/dbraw/zinc/98/23/88/563982388.db2.gz XOWSFHBHXYCDGD-UHFFFAOYSA-N 0 0 331.459 5.979 50 30 EKEARN CCCCCCCc1ccc(/C=C/c2nc(-c3ccncc3)no2)cc1 ZINC000100165802 219093659 /nfs/dbraw/zinc/09/36/59/219093659.db2.gz SGCGXDDXHSAIOR-OUKQBFOZSA-N 0 0 347.462 5.815 50 30 EKEARN CCCCCCCCCCC/C(=N\O)c1cc(Cl)ccc1O ZINC000100166632 564177714 /nfs/dbraw/zinc/17/77/14/564177714.db2.gz HDUGNNXDXFLBRS-LVZFUZTISA-N 0 0 325.880 6.145 50 30 EKEARN CCCCCCCCCCCCC/C(=N\O)c1ccc(O)cc1O ZINC000100166793 219093534 /nfs/dbraw/zinc/09/35/34/219093534.db2.gz QCIPLZVFMUUCEI-XUTLUUPISA-N 0 0 335.488 5.977 50 30 EKEARN CCCCCCCCCCCCC/C(=N\O)c1cc(O)ccc1O ZINC000100166805 219093019 /nfs/dbraw/zinc/09/30/19/219093019.db2.gz XECDFMWMUFTYPP-XUTLUUPISA-N 0 0 335.488 5.977 50 30 EKEARN CCCCCCCCCCCCC/C(=N\O)c1cc(OC)ccc1O ZINC000100166811 563982398 /nfs/dbraw/zinc/98/23/98/563982398.db2.gz MFCCSBSLBJTUHE-LSDHQDQOSA-N 0 0 349.515 6.280 50 30 EKEARN CCCCCCCCCCCCCCCCC(=O)c1ccccn1 ZINC000100166899 563982400 /nfs/dbraw/zinc/98/24/00/563982400.db2.gz TXIKPQXLBKPGOF-UHFFFAOYSA-N 0 0 331.544 7.136 50 30 EKEARN CCCCCCCCCCCCOc1ccc(O)c(/C(C)=N/O)c1 ZINC000100167324 564076278 /nfs/dbraw/zinc/07/62/78/564076278.db2.gz BZWNNYJBFHYLDM-HEHNFIMWSA-N 0 0 335.488 5.890 50 30 EKEARN CCCCCCCCCNC=C1Sc2ccc(OCC)cc2C1=O ZINC000100167780 219093517 /nfs/dbraw/zinc/09/35/17/219093517.db2.gz NVKLGYRCNCRPED-XDJHFCHBSA-N 0 0 347.524 5.555 50 30 EKEARN CCCCCCCCCNC=C1Sc2ccc(OCC)cc2C1=O ZINC000100167783 563984337 /nfs/dbraw/zinc/98/43/37/563984337.db2.gz NVKLGYRCNCRPED-CYVLTUHYSA-N 0 0 347.524 5.555 50 30 EKEARN CCCCCCCOc1ccc(C(=O)c2ccnc3ccccc32)cc1 ZINC000100171880 219093071 /nfs/dbraw/zinc/09/30/71/219093071.db2.gz LZPWJGUAONRORI-UHFFFAOYSA-N 0 0 347.458 5.815 50 30 EKEARN CCCCCCOc1ccc(/C=N/c2ccc(CCCC)cc2)cc1 ZINC000100172432 219092956 /nfs/dbraw/zinc/09/29/56/219092956.db2.gz YDTFLWMDAFOTRZ-LYBHJNIJSA-N 0 0 337.507 6.739 50 30 EKEARN CCCCCOc1ccc(/C=N/c2ccc(C(=O)OCC)cc2)cc1 ZINC000100174540 563284693 /nfs/dbraw/zinc/28/46/93/563284693.db2.gz ZQZICUICLNBRNL-CJLVFECKSA-N 0 0 339.435 5.183 50 30 EKEARN Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc(F)cc1 ZINC000100192149 219094207 /nfs/dbraw/zinc/09/42/07/219094207.db2.gz JHEFVTMTLFWQQR-AFUMVMLFSA-N 0 0 343.405 5.532 50 30 EKEARN CC(=O)c1ccc(N=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 ZINC000100194060 219094032 /nfs/dbraw/zinc/09/40/32/219094032.db2.gz CPNVSWFGFPRHLC-ZVHZXABRSA-N 0 0 344.458 5.664 50 30 EKEARN Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(C)n1C1CCCCC1 ZINC000100194138 219094048 /nfs/dbraw/zinc/09/40/48/219094048.db2.gz CKCVLVMQJHZAAQ-WSDLNYQXSA-N 0 0 349.305 6.668 50 30 EKEARN CCOc1ccc2ccccc2c1/C=N/c1ccc(Cl)cc1Cl ZINC000100221300 563982423 /nfs/dbraw/zinc/98/24/23/563982423.db2.gz JXAQMAOJJPCJBK-WSDLNYQXSA-N 0 0 344.241 6.296 50 30 EKEARN CCOc1ccc2ccccc2c1/C=N/c1cc(Cl)cc(Cl)c1 ZINC000100221308 203991159 /nfs/dbraw/zinc/99/11/59/203991159.db2.gz JQLXYLQESNFKLB-WSDLNYQXSA-N 0 0 344.241 6.296 50 30 EKEARN Cc1cc(/N=C/c2cccn2-c2ccccc2)ccc1Br ZINC000100224782 219095192 /nfs/dbraw/zinc/09/51/92/219095192.db2.gz SYNUYRWFHOWEQK-DEDYPNTBSA-N 0 0 339.236 5.299 50 30 EKEARN CCCCCCCn1c(/C=C/c2ccc(OC)cc2)nc2ccccc21 ZINC000100233118 563990248 /nfs/dbraw/zinc/99/02/48/563990248.db2.gz PMVGLKMPRFQYQM-SAPNQHFASA-N 0 0 348.490 6.186 50 30 EKEARN CCCCCCC[C@@H]1CCC/C1=N/OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100247638 563982445 /nfs/dbraw/zinc/98/24/45/563982445.db2.gz KPUYAERBWROQFG-MEUCICPISA-N 0 0 346.427 5.268 50 30 EKEARN CCCCCCC[C@H]1CCC/C1=N/OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100247642 563982446 /nfs/dbraw/zinc/98/24/46/563982446.db2.gz KPUYAERBWROQFG-ZJYNUGOYSA-N 0 0 346.427 5.268 50 30 EKEARN CCSC1=Nc2ccccc2C1=NNc1cccc(C(F)(F)F)c1 ZINC000100250825 262536882 /nfs/dbraw/zinc/53/68/82/262536882.db2.gz OBFQWUQCAKXZHD-HAHDFKILSA-N 0 0 349.381 5.318 50 30 EKEARN CCCCCCCCCCC[C@H](O)CC(=O)OCc1ccccc1 ZINC000100252993 563982450 /nfs/dbraw/zinc/98/24/50/563982450.db2.gz NRNRXBHTCKDUNQ-FQEVSTJZSA-N 0 0 334.500 5.402 50 30 EKEARN CCCCCCCCCCC[C@@H](O)CC(=O)OCc1ccccc1 ZINC000100252995 563982455 /nfs/dbraw/zinc/98/24/55/563982455.db2.gz NRNRXBHTCKDUNQ-HXUWFJFHSA-N 0 0 334.500 5.402 50 30 EKEARN CN1c2ccccc2C(C)(C)/C1=C\C=C\C=C1/Cc2ccccc2C1=O ZINC000100265575 563982484 /nfs/dbraw/zinc/98/24/84/563982484.db2.gz DEWLJBKRIUSZAA-FJRBDEOBSA-N 0 0 341.454 5.220 50 30 EKEARN Cn1nc(-c2ccccc2)c(/C=N/c2ccc(Cl)cc2)c1Cl ZINC000100271446 563992040 /nfs/dbraw/zinc/99/20/40/563992040.db2.gz HZOJSEHOLZIOQU-RGVLZGJSSA-N 0 0 330.218 5.145 50 30 EKEARN CCCCCCCCOc1ccc(NC(=O)/C=C/c2ccco2)cc1 ZINC000100286158 563992108 /nfs/dbraw/zinc/99/21/08/563992108.db2.gz IGMQSIKHAOXERR-CCEZHUSRSA-N 0 0 341.451 5.671 50 30 EKEARN CCCCCCCCOc1ccc(NC(=O)c2coc(C)c2)cc1 ZINC000100288872 219096211 /nfs/dbraw/zinc/09/62/11/219096211.db2.gz BRLXRWPAJBBLNO-UHFFFAOYSA-N 0 0 329.440 5.580 50 30 EKEARN COc1c(Cl)cc(Cl)cc1/C=N/c1ccc(Cl)c(Cl)c1 ZINC000100290914 219096128 /nfs/dbraw/zinc/09/61/28/219096128.db2.gz JODSNDPSLUIWJR-FBCYGCLPSA-N 0 0 349.044 6.059 50 30 EKEARN CCCCCCCc1ccc(C(=O)c2ccccc2OC(C)=O)cc1 ZINC000100294485 520070673 /nfs/dbraw/zinc/07/06/73/520070673.db2.gz GDQACGOGALDGOV-UHFFFAOYSA-N 0 0 338.447 5.356 50 30 EKEARN CCCCCCCCCCN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100298812 519975769 /nfs/dbraw/zinc/97/57/69/519975769.db2.gz WVTWCMFTBSTXFK-SFQUDFHCSA-N 0 0 336.392 5.041 50 30 EKEARN CCCCCCCc1ccc(C(=O)c2cccc(OC(C)=O)c2)cc1 ZINC000100305031 563982504 /nfs/dbraw/zinc/98/25/04/563982504.db2.gz ABKMOVOIYWOPMD-UHFFFAOYSA-N 0 0 338.447 5.356 50 30 EKEARN CCCCCCCCCOc1ccc(C=O)cc1Br ZINC000100306077 563982523 /nfs/dbraw/zinc/98/25/23/563982523.db2.gz OOZJFSLCPLIYEK-UHFFFAOYSA-N 0 0 327.262 5.391 50 30 EKEARN CCCCCCCCCCCCCCCCCCCc1ccncc1 ZINC000100308064 563982522 /nfs/dbraw/zinc/98/25/22/563982522.db2.gz UMOIOBOWJASTRT-UHFFFAOYSA-N 0 0 345.615 8.276 50 30 EKEARN CCCCCCCCCCCCCCCCCCOc1ccccn1 ZINC000100309480 563982520 /nfs/dbraw/zinc/98/25/20/563982520.db2.gz FDMPERQVQOQUFP-UHFFFAOYSA-N 0 0 347.587 7.722 50 30 EKEARN CCCCCCCCCCCCCCCCN1CCCCCC1=O ZINC000100309844 563992180 /nfs/dbraw/zinc/99/21/80/563992180.db2.gz LYQYWEFFQIZYDP-UHFFFAOYSA-N 0 0 337.592 6.870 50 30 EKEARN CCCCCCCCCCCCCCCCOc1ccc(C)cc1 ZINC000100310047 564076271 /nfs/dbraw/zinc/07/62/71/564076271.db2.gz JXQLLDIJHXJEII-UHFFFAOYSA-N 0 0 332.572 7.855 50 30 EKEARN CCCCCCCCCCCCOC(=O)C(C)(C)Br ZINC000100311067 219096726 /nfs/dbraw/zinc/09/67/26/219096726.db2.gz TUPZPNIRCIQNLF-UHFFFAOYSA-N 0 0 335.326 5.624 50 30 EKEARN CCCCCCCCCCCSCCCCCCCCCCC ZINC000100311972 219096906 /nfs/dbraw/zinc/09/69/06/219096906.db2.gz RDOYGXODZMRGKD-UHFFFAOYSA-N 0 0 342.677 8.781 50 30 EKEARN CCCCCCCc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1 ZINC000100314572 563982555 /nfs/dbraw/zinc/98/25/55/563982555.db2.gz YUJJFNYIHGXTFF-UHFFFAOYSA-N 0 0 338.447 5.356 50 30 EKEARN CCCCCCCCCCCC(=O)c1ccc(C2OCCO2)s1 ZINC000100322067 563982545 /nfs/dbraw/zinc/98/25/45/563982545.db2.gz YYFPIWOEBQYTIZ-UHFFFAOYSA-N 0 0 338.513 5.897 50 30 EKEARN CSc1cccc(NC=Cc2onc(-c3ccccc3)c2C#N)c1 ZINC000100324637 563660785 /nfs/dbraw/zinc/66/07/85/563660785.db2.gz ZHHGIXWXKUAPIE-ZHACJKMWSA-N 0 0 333.416 5.018 50 30 EKEARN O=C1/C(=N\c2cccc(Cl)c2)c2ccccc2N1c1ccccc1 ZINC000100327246 219096518 /nfs/dbraw/zinc/09/65/18/219096518.db2.gz USPOXDNSVVNQGP-QOCHGBHMSA-N 0 0 332.790 5.139 50 30 EKEARN O=C1/C(=N\c2ccc(Cl)cc2)c2ccccc2N1c1ccccc1 ZINC000100327261 219096562 /nfs/dbraw/zinc/09/65/62/219096562.db2.gz IUPTYEBARUELQN-QOCHGBHMSA-N 0 0 332.790 5.139 50 30 EKEARN CCCCCCCOc1ccc(C(=O)CCCCC(=O)OCC)cc1 ZINC000100332446 219096819 /nfs/dbraw/zinc/09/68/19/219096819.db2.gz OWRXGHQKMRKSGX-UHFFFAOYSA-N 0 0 348.483 5.342 50 30 EKEARN O=C1c2ccccc2[C@@H](c2ccccc2)C1=CNc1ccc(Cl)cc1 ZINC000100333107 219096514 /nfs/dbraw/zinc/09/65/14/219096514.db2.gz LKNXYTPIERDUPP-OKPNHQCWSA-N 0 0 345.829 5.664 50 30 EKEARN O=C1c2ccccc2[C@H](c2ccccc2)C1=CNc1ccc(Cl)cc1 ZINC000100333110 219096623 /nfs/dbraw/zinc/09/66/23/219096623.db2.gz LKNXYTPIERDUPP-URBQWANRSA-N 0 0 345.829 5.664 50 30 EKEARN COc1ccc(NC=C2C(=O)c3ccccc3[C@H]2c2ccccc2)cc1 ZINC000100363648 219097293 /nfs/dbraw/zinc/09/72/93/219097293.db2.gz AMEKIKUAIQBPMS-PHCAOYFPSA-N 0 0 341.410 5.019 50 30 EKEARN COc1ccc(NC=C2C(=O)c3ccccc3[C@@H]2c2ccccc2)cc1 ZINC000100363652 219097335 /nfs/dbraw/zinc/09/73/35/219097335.db2.gz AMEKIKUAIQBPMS-GYZZIOIESA-N 0 0 341.410 5.019 50 30 EKEARN CC(C)[C@H]1CC[C@@H](C)/C(=C\C=C2/C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O ZINC000100365514 219097799 /nfs/dbraw/zinc/09/77/99/219097799.db2.gz CDLMGTMYJCSWTE-SZKPXJJZSA-N 0 0 330.512 5.382 50 30 EKEARN CC(C)[C@H]1CC[C@H](C)/C(=C\C=C2/C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O ZINC000100365518 563982573 /nfs/dbraw/zinc/98/25/73/563982573.db2.gz CDLMGTMYJCSWTE-GOXUKWFFSA-N 0 0 330.512 5.382 50 30 EKEARN CC(C)[C@H]1CC[C@@H](C)/C(=C/C=C2/C(=O)[C@H](C(C)C)CC[C@H]2C)C1=O ZINC000100365523 203992811 /nfs/dbraw/zinc/99/28/11/203992811.db2.gz CDLMGTMYJCSWTE-LVCFQJMOSA-N 0 0 330.512 5.382 50 30 EKEARN CC(C)[C@H]1CC[C@@H](C)/C(=C/C=C2/C(=O)[C@H](C(C)C)CC[C@@H]2C)C1=O ZINC000100365527 219097611 /nfs/dbraw/zinc/09/76/11/219097611.db2.gz CDLMGTMYJCSWTE-YLORNRQASA-N 0 0 330.512 5.382 50 30 EKEARN CCOc1cc(/C=N/c2ccccc2)ccc1OCc1ccccc1 ZINC000100366540 520643922 /nfs/dbraw/zinc/64/39/22/520643922.db2.gz TUJJWYOKPXUKQT-XQNSMLJCSA-N 0 0 331.415 5.415 50 30 EKEARN CSc1nsc(C=CNc2ccccc2-c2ccccc2)c1C#N ZINC000100381580 219097543 /nfs/dbraw/zinc/09/75/43/219097543.db2.gz BUVMQDNPOJMONK-VAWYXSNFSA-N 0 0 349.484 5.486 50 30 EKEARN CSc1nsc(C=CNc2cc(Cl)cc(Cl)c2)c1C#N ZINC000100381601 219097666 /nfs/dbraw/zinc/09/76/66/219097666.db2.gz RFJQNHIBIKYDKH-NSCUHMNNSA-N 0 0 342.276 5.126 50 30 EKEARN Cc1cc(Br)c(O)c(/C=N/c2cc(Cl)ccc2C)c1 ZINC000100383379 219097492 /nfs/dbraw/zinc/09/74/92/219097492.db2.gz AUPDMYNLYPJLII-QGMBQPNBSA-N 0 0 338.632 5.176 50 30 EKEARN COc1cccc(/C=N/c2ccc(C)cc2)c1OCc1ccccc1 ZINC000100384090 563982582 /nfs/dbraw/zinc/98/25/82/563982582.db2.gz NXDMHUPCJUOMKO-HZHRSRAPSA-N 0 0 331.415 5.333 50 30 EKEARN O=[N+]([O-])c1cccc(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1 ZINC000100384126 219098296 /nfs/dbraw/zinc/09/82/96/219098296.db2.gz CTFBVJPJZMFFSR-FYJGNVAPSA-N 0 0 343.342 5.154 50 30 EKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccc(F)cc4)ccc3o2)cc1 ZINC000100384142 563982583 /nfs/dbraw/zinc/98/25/83/563982583.db2.gz ZKDYMAOEOSTWFD-YDZHTSKRSA-N 0 0 330.362 5.693 50 30 EKEARN Cc1ccc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)s1 ZINC000100384148 563982585 /nfs/dbraw/zinc/98/25/85/563982585.db2.gz KRBMXZSZTFLEMJ-CIAFOILYSA-N 0 0 332.428 5.924 50 30 EKEARN Fc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000100384226 563982584 /nfs/dbraw/zinc/98/25/84/563982584.db2.gz PSDUIQPOUIKPEC-YDZHTSKRSA-N 0 0 339.797 5.809 50 30 EKEARN CCOc1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000100384363 219098635 /nfs/dbraw/zinc/09/86/35/219098635.db2.gz OMTYVEKILVCRAI-HZHRSRAPSA-N 0 0 342.398 5.644 50 30 EKEARN O=C(Oc1ccc(/N=C/c2cccs2)cc1)c1ccccc1Cl ZINC000100389880 563992283 /nfs/dbraw/zinc/99/22/83/563992283.db2.gz ZUKREPGZOPBTAB-UDWIEESQSA-N 0 0 341.819 5.371 50 30 EKEARN Clc1nc(-c2ccccc2)[nH]c1C=NCc1ccc(Cl)cc1 ZINC000100390351 219098364 /nfs/dbraw/zinc/09/83/64/219098364.db2.gz JCRIBCJXHOOKTO-RGVLZGJSSA-N 0 0 330.218 5.003 50 30 EKEARN Clc1ccc(/N=C/c2cc3ccccc3nc2Cl)cc1Cl ZINC000100391372 563982581 /nfs/dbraw/zinc/98/25/81/563982581.db2.gz NLQDUWVYRGKEDR-AWQFTUOYSA-N 0 0 335.621 5.946 50 30 EKEARN Clc1ccc(Cl)c(/N=C/c2cc3ccccc3nc2Cl)c1 ZINC000100394731 219098150 /nfs/dbraw/zinc/09/81/50/219098150.db2.gz MXBMUDOQYXVILW-AWQFTUOYSA-N 0 0 335.621 5.946 50 30 EKEARN CCCCCCCCCCCCCCCC[C@@H]1CCCC/C1=N/O ZINC000100399351 520003235 /nfs/dbraw/zinc/00/32/35/520003235.db2.gz URGCKECLMLWYMT-XSSWQJIQSA-N 0 0 337.592 7.878 50 30 EKEARN CCCCCCCCCCCCCCCC[C@H]1CCCC/C1=N/O ZINC000100399354 563982590 /nfs/dbraw/zinc/98/25/90/563982590.db2.gz URGCKECLMLWYMT-MUBPVYAGSA-N 0 0 337.592 7.878 50 30 EKEARN Clc1cccc(/N=C/c2cc3ccccc3nc2Cl)c1Cl ZINC000100404049 219098186 /nfs/dbraw/zinc/09/81/86/219098186.db2.gz JMVQRUNICQCIBC-AWQFTUOYSA-N 0 0 335.621 5.946 50 30 EKEARN Clc1nc2ccccc2cc1/C=N/c1ccc(Br)cc1 ZINC000100404581 219098562 /nfs/dbraw/zinc/09/85/62/219098562.db2.gz HDCJWJQJWCCOFW-VXLYETTFSA-N 0 0 345.627 5.401 50 30 EKEARN FC(F)(F)c1ccc(/N=C/C2=C(Cl)c3ccccc3CC2)cc1 ZINC000100406259 563992302 /nfs/dbraw/zinc/99/23/02/563992302.db2.gz LLKBAQNMYYMZAR-FOKLQQMPSA-N 0 0 335.756 6.004 50 30 EKEARN FC(F)(F)c1cccc(N=Cc2[nH]c(-c3ccccc3)nc2Cl)c1 ZINC000100407546 219098536 /nfs/dbraw/zinc/09/85/36/219098536.db2.gz LEZZFEAADHQWDU-LSHDLFTRSA-N 0 0 349.743 5.500 50 30 EKEARN O=C(C=CNc1cccc(C(F)(F)F)c1)c1sccc1Cl ZINC000100408065 219098066 /nfs/dbraw/zinc/09/80/66/219098066.db2.gz SBEBWLLBZFFKBY-GQCTYLIASA-N 0 0 331.746 5.229 50 30 EKEARN O=C(C=CNc1ccc(OC(F)(F)F)cc1)c1sccc1Cl ZINC000100409185 563992306 /nfs/dbraw/zinc/99/23/06/563992306.db2.gz LEAIFAUYVHNCDV-FNORWQNLSA-N 0 0 347.745 5.109 50 30 EKEARN O=C(C=CNc1ccc(F)cc1F)c1cc(Cl)sc1Cl ZINC000100411652 563982601 /nfs/dbraw/zinc/98/26/01/563982601.db2.gz RZOLIBZJWYVNDV-ONEGZZNKSA-N 0 0 334.174 5.142 50 30 EKEARN Fc1ccc(CSc2ccc(/N=C/c3cccs3)cc2)cc1 ZINC000100416088 219098345 /nfs/dbraw/zinc/09/83/45/219098345.db2.gz LBJZYKZDHJXLAG-UDWIEESQSA-N 0 0 327.449 5.930 50 30 EKEARN O=C1c2c(cccc2F)[C@@H](c2ccccc2)C1=CNc1ccc(F)cc1 ZINC000100417097 563982604 /nfs/dbraw/zinc/98/26/04/563982604.db2.gz JYUPBYGTDSQHTH-MTGKDYNDSA-N 0 0 347.364 5.289 50 30 EKEARN O=C1c2c(cccc2F)[C@H](c2ccccc2)C1=CNc1ccc(F)cc1 ZINC000100417104 219098102 /nfs/dbraw/zinc/09/81/02/219098102.db2.gz JYUPBYGTDSQHTH-LVSKKATPSA-N 0 0 347.364 5.289 50 30 EKEARN N#Cc1c(C=CNc2ccc(F)cc2)onc1-c1ccccc1Cl ZINC000100417137 219098457 /nfs/dbraw/zinc/09/84/57/219098457.db2.gz INZYHDANQDPSOH-MDZDMXLPSA-N 0 0 339.757 5.089 50 30 EKEARN N#Cc1c(C=CNc2ccccc2)onc1-c1c(F)cccc1Cl ZINC000100417838 219098080 /nfs/dbraw/zinc/09/80/80/219098080.db2.gz SEEFJMOATWQBRQ-MDZDMXLPSA-N 0 0 339.757 5.089 50 30 EKEARN CCCCCCCCCCCCCCCC(=O)OCCSC ZINC000100438343 219099095 /nfs/dbraw/zinc/09/90/95/219099095.db2.gz OUUXSAZAQYVQAY-UHFFFAOYSA-N 0 0 330.578 6.374 50 30 EKEARN CCCCCCCCCCCCCC(=O)Nc1cc(C)cc(C)c1 ZINC000100441741 564076253 /nfs/dbraw/zinc/07/62/53/564076253.db2.gz NDMAAVBSEWJNBV-UHFFFAOYSA-N 0 0 331.544 6.943 50 30 EKEARN CCCCCCCCCCCCCC(=O)Nc1cccc(C)c1C ZINC000100441875 564076256 /nfs/dbraw/zinc/07/62/56/564076256.db2.gz QGQCDXIBIXVZKQ-UHFFFAOYSA-N 0 0 331.544 6.943 50 30 EKEARN CCCCCCCCCCCCCC(=O)NCc1ccc(OC)cc1 ZINC000100442501 563982629 /nfs/dbraw/zinc/98/26/29/563982629.db2.gz BGYZMPUFFKPFAA-UHFFFAOYSA-N 0 0 347.543 6.013 50 30 EKEARN CCCCCCCCCCCCCCCCSc1cccc(N)c1 ZINC000100443706 563982627 /nfs/dbraw/zinc/98/26/27/563982627.db2.gz SRIWTNIWYDUONL-UHFFFAOYSA-N 0 0 349.628 7.842 50 30 EKEARN Oc1ccccc1/C=N/c1ccc(SCc2ccc(F)cc2)cc1 ZINC000100457322 219099935 /nfs/dbraw/zinc/09/99/35/219099935.db2.gz ROEOXJZEWAIUSU-LPYMAVHISA-N 0 0 337.419 5.574 50 30 EKEARN Oc1ccccc1/C=N/c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000100457789 219100008 /nfs/dbraw/zinc/10/00/08/219100008.db2.gz MDZPQWBMHRKDAU-SRZZPIQSSA-N 0 0 338.476 5.067 50 30 EKEARN O/N=C/c1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1 ZINC000100468479 219099606 /nfs/dbraw/zinc/09/96/06/219099606.db2.gz FHDWSVQSQBYXJC-HZHRSRAPSA-N 0 0 345.446 5.395 50 30 EKEARN CCc1ccc(C(=O)C=C(S)c2ccc(Br)cc2)cc1 ZINC000100479564 563992583 /nfs/dbraw/zinc/99/25/83/563992583.db2.gz CCYIOWBFOIZGGW-GZTJUZNOSA-N 0 0 347.277 5.165 50 30 EKEARN CCCCCCCCOc1ccc(OC(=O)c2ccncc2)cc1 ZINC000100485416 203995073 /nfs/dbraw/zinc/99/50/73/203995073.db2.gz LJAINZKGSGJYOR-UHFFFAOYSA-N 0 0 327.424 5.040 50 30 EKEARN O=C(Oc1ccc(/C=N/c2ccccc2Cl)cc1)c1ccccc1 ZINC000100499563 563982639 /nfs/dbraw/zinc/98/26/39/563982639.db2.gz WVPHXJGFOTZEHK-HYARGMPZSA-N 0 0 335.790 5.310 50 30 EKEARN Cc1cc2nc(-c3ccc(/N=C/c4ccccc4O)cc3)oc2c(C)c1 ZINC000100502826 219100333 /nfs/dbraw/zinc/10/03/33/219100333.db2.gz GQZXVYXYLXMASX-YDZHTSKRSA-N 0 0 342.398 5.568 50 30 EKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)cc1 ZINC000100502933 219100591 /nfs/dbraw/zinc/10/05/91/219100591.db2.gz IQQJZKBEWZMAQU-LPYMAVHISA-N 0 0 328.371 5.259 50 30 EKEARN Cc1ccc2oc(-c3ccc(C)c(/N=C/c4ccccc4O)c3)nc2c1 ZINC000100503077 219100547 /nfs/dbraw/zinc/10/05/47/219100547.db2.gz OTJMVCOZALHJAY-YDZHTSKRSA-N 0 0 342.398 5.568 50 30 EKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)c(C)c1 ZINC000100505846 219101445 /nfs/dbraw/zinc/10/14/45/219101445.db2.gz CROPTNVAXLPJHP-YDZHTSKRSA-N 0 0 342.398 5.568 50 30 EKEARN N#Cc1c(/N=C/N2CCCC2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000100511955 219101046 /nfs/dbraw/zinc/10/10/46/219101046.db2.gz PBZZQWVRVASUDK-LFVJCYFKSA-N 0 0 341.414 5.241 50 30 EKEARN CCCCCCCCOc1ccc(/C=C/C(=O)N2CCCCC2)cc1 ZINC000100546706 206247903 /nfs/dbraw/zinc/24/79/03/206247903.db2.gz UPTABKZGZAJUMV-DTQAZKPQSA-N 0 0 343.511 5.452 50 30 EKEARN CCCCCCCc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1 ZINC000100566253 520069410 /nfs/dbraw/zinc/06/94/10/520069410.db2.gz CBVMBGBNSIHUEE-UHFFFAOYSA-N 0 0 337.385 6.160 50 30 EKEARN CCCCCCCCCc1noc(-c2ccc(OC)c(OC)c2)n1 ZINC000100570268 563993863 /nfs/dbraw/zinc/99/38/63/563993863.db2.gz WCLJQSJCLDCGTJ-UHFFFAOYSA-N 0 0 332.444 5.047 50 30 EKEARN COc1ccc(C2=C(Nc3ccc(C)cc3)c3ccccc3C2=O)cc1 ZINC000100587586 219102010 /nfs/dbraw/zinc/10/20/10/219102010.db2.gz QCKFZFRIXAUIJM-UHFFFAOYSA-N 0 0 341.410 5.180 50 30 EKEARN CCCCCCCc1ccc(C(=O)c2cncc3ccccc32)cc1 ZINC000100594098 563982669 /nfs/dbraw/zinc/98/26/69/563982669.db2.gz IQGCCVYUGWIKCU-UHFFFAOYSA-N 0 0 331.459 5.979 50 30 EKEARN CCCCCCCOc1ccc(C(=O)c2cncc3ccccc32)cc1 ZINC000100594117 219102422 /nfs/dbraw/zinc/10/24/22/219102422.db2.gz RTCACIMXGXLHTR-UHFFFAOYSA-N 0 0 347.458 5.815 50 30 EKEARN CCCCCCCOc1ccc(C(=O)c2ccc(Cl)nc2)cc1 ZINC000100594867 563982668 /nfs/dbraw/zinc/98/26/68/563982668.db2.gz PASZUADAWSBSOZ-UHFFFAOYSA-N 0 0 331.843 5.315 50 30 EKEARN Cc1ccc2c(c1)-c1nc3ccccc3cc1/C2=N/C1CCCCC1 ZINC000100612556 206252958 /nfs/dbraw/zinc/25/29/58/206252958.db2.gz YFJHKTJYZYSPQI-ZNTNEXAZSA-N 0 0 326.443 5.694 50 30 EKEARN CCCCCCCCCCCCSc1nc2ccccc2c(=O)[nH]1 ZINC000100629351 563982680 /nfs/dbraw/zinc/98/26/80/563982680.db2.gz WDXYAAWTHSXLEL-UHFFFAOYSA-N 0 0 346.540 5.936 50 30 EKEARN CCCCCCCCNC=C1Sc2ccc(OCC)cc2C1=O ZINC000100641732 219103353 /nfs/dbraw/zinc/10/33/53/219103353.db2.gz ARLXGSSELGEFFF-NBVRZTHBSA-N 0 0 333.497 5.165 50 30 EKEARN CCn1c2ccccc2nc1/N=C/c1ccc(OCCC(C)C)cc1 ZINC000100641795 563994492 /nfs/dbraw/zinc/99/44/92/563994492.db2.gz MKKISHPFVCDITI-PXLXIMEGSA-N 0 0 335.451 5.232 50 30 EKEARN CCCCCCCCCCCCOc1ccccc1C(F)(F)F ZINC000100651462 563982693 /nfs/dbraw/zinc/98/26/93/563982693.db2.gz OGLHFFDFYYGSSE-UHFFFAOYSA-N 0 0 330.434 7.005 50 30 EKEARN CCCCCCCCCCCCCC[C@@H](C(=O)OCC)N(C)C ZINC000100657906 219103438 /nfs/dbraw/zinc/10/34/38/219103438.db2.gz FHCGWLWLTQAVLW-IBGZPJMESA-N 0 0 327.553 5.571 50 30 EKEARN CCCCCCCCCCCCCC[C@H](C(=O)OCC)N(C)C ZINC000100657908 219103246 /nfs/dbraw/zinc/10/32/46/219103246.db2.gz FHCGWLWLTQAVLW-LJQANCHMSA-N 0 0 327.553 5.571 50 30 EKEARN Cc1cccc(C(=O)C=CNc2ccccc2C(=O)c2ccccc2)c1 ZINC000100662218 206255183 /nfs/dbraw/zinc/25/51/83/206255183.db2.gz RNYFBFQHKQWLEL-PFONDFGASA-N 0 0 341.410 5.035 50 30 EKEARN CCCCCCCCOc1ccc(C(=O)/C=C/c2ccccc2)cc1 ZINC000100670096 563994682 /nfs/dbraw/zinc/99/46/82/563994682.db2.gz FQJDUIYDKXYUQI-QGOAFFKASA-N 0 0 336.475 6.322 50 30 EKEARN Cc1ccc2c(c1)-c1nc3c(C)cccc3cc1/C2=N/c1ccccc1 ZINC000100671305 219104176 /nfs/dbraw/zinc/10/41/76/219104176.db2.gz GBPUNSGNORHINF-WJTDDFOZSA-N 0 0 334.422 6.001 50 30 EKEARN Cc1ccc(C)c(/N=C2/c3ccccc3-c3nc4ccccc4cc32)c1 ZINC000100673090 219104452 /nfs/dbraw/zinc/10/44/52/219104452.db2.gz YKGWWTVVWGHCGC-LCUIJRPUSA-N 0 0 334.422 6.001 50 30 EKEARN Cc1cc2c(cc1C)/C(=N\C1CCCCC1)c1cc3ccccc3nc1-2 ZINC000100674360 219104164 /nfs/dbraw/zinc/10/41/64/219104164.db2.gz ZPZFSFCFBASIQK-WJTDDFOZSA-N 0 0 340.470 6.002 50 30 EKEARN CCCCCCCCCCCCCCCC/C(=N\O)c1ccccn1 ZINC000100674430 563994718 /nfs/dbraw/zinc/99/47/18/563994718.db2.gz OTJSVALERQEWHQ-ZNTNEXAZSA-N 0 0 346.559 7.131 50 30 EKEARN Oc1ccc2cccc(/C=N/c3nc(-c4ccccc4)cs3)c2c1 ZINC000100685184 219104024 /nfs/dbraw/zinc/10/40/24/219104024.db2.gz SNMRRECPDXDYCC-CIAFOILYSA-N 0 0 330.412 5.420 50 30 EKEARN CCCCCCCCCCCCCC(=O)Oc1ccccc1[N+](=O)[O-] ZINC000100685725 568416125 /nfs/dbraw/zinc/41/61/25/568416125.db2.gz UTJSENBBKMWKKV-UHFFFAOYSA-N 0 0 349.471 6.201 50 30 EKEARN CCCCCCCCCCCCCCCC1SCCCS1 ZINC000100694015 563982701 /nfs/dbraw/zinc/98/27/01/563982701.db2.gz AFDAZDZNDWAUHC-UHFFFAOYSA-N 0 0 330.647 7.664 50 30 EKEARN CCCCCCCCCCCCNS(=O)(=O)c1ccc(C)cc1 ZINC000100694437 563994877 /nfs/dbraw/zinc/99/48/77/563994877.db2.gz USAFAYBLWJSOFY-UHFFFAOYSA-N 0 0 339.545 5.194 50 30 EKEARN CCCCCCCCCCCCCCCC[C@@H](C(=O)[O-])[N+](C)(C)C ZINC000100695889 563982704 /nfs/dbraw/zinc/98/27/04/563982704.db2.gz LUWSJWIDHMACFR-FQEVSTJZSA-O 0 0 342.588 6.017 50 30 EKEARN CCCCCCCCCCCCCCCC[C@H](C(=O)[O-])[N+](C)(C)C ZINC000100695892 563982707 /nfs/dbraw/zinc/98/27/07/563982707.db2.gz LUWSJWIDHMACFR-HXUWFJFHSA-O 0 0 342.588 6.017 50 30 EKEARN CCCCCCCCCCCCNC(=O)[C@H](C)Oc1ccccc1 ZINC000100700890 520010424 /nfs/dbraw/zinc/01/04/24/520010424.db2.gz BLHYPBHZTUTNHC-IBGZPJMESA-N 0 0 333.516 5.491 50 30 EKEARN CCCCCCCCCCCCNC(=O)[C@@H](C)Oc1ccccc1 ZINC000100700892 563982711 /nfs/dbraw/zinc/98/27/11/563982711.db2.gz BLHYPBHZTUTNHC-LJQANCHMSA-N 0 0 333.516 5.491 50 30 EKEARN CCCCCCCCCCCCSc1nc2ccccc2s1 ZINC000100700925 563982709 /nfs/dbraw/zinc/98/27/09/563982709.db2.gz ZJCGCYWSOGPALF-UHFFFAOYSA-N 0 0 335.582 7.309 50 30 EKEARN CC(C)[C@@]1(C)CC[C@H](C)/C(=C\c2cccc(Cl)c2Cl)C1=O ZINC000100707921 206254623 /nfs/dbraw/zinc/25/46/23/206254623.db2.gz GGHFMFVEFSJANJ-DPRSLYIMSA-N 0 0 325.279 6.038 50 30 EKEARN CCCCCCCCC/C=C/C(=O)N(Cc1ccccn1)C1CC1 ZINC000100709255 563995016 /nfs/dbraw/zinc/99/50/16/563995016.db2.gz SXNXUUMRDMENLZ-GXDHUFHOSA-N 0 0 328.500 5.270 50 30 EKEARN CCCCCCCCCCCCNC(=O)c1cccc2ccccc21 ZINC000100719417 563982724 /nfs/dbraw/zinc/98/27/24/563982724.db2.gz GQPOXVAWWYNKRG-UHFFFAOYSA-N 0 0 339.523 6.491 50 30 EKEARN CCCCCCCCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000100720143 519977204 /nfs/dbraw/zinc/97/72/04/519977204.db2.gz YGOKUGLKSVTJOB-UHFFFAOYSA-N 0 0 349.824 6.438 50 30 EKEARN CCCCCCCCCCCCNC(=O)CCCCCCCCC ZINC000100720171 219105007 /nfs/dbraw/zinc/10/50/07/219105007.db2.gz OAJXZOPZGGVMAU-UHFFFAOYSA-N 0 0 339.608 7.164 50 30 EKEARN CCCCCCCCCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000100723018 563982725 /nfs/dbraw/zinc/98/27/25/563982725.db2.gz ATTDGUJNEXKROB-UHFFFAOYSA-N 0 0 345.314 6.256 50 30 EKEARN CCCCCCCCCCCCCCCCCCn1c(C)ccc1C ZINC000100725431 519996709 /nfs/dbraw/zinc/99/67/09/519996709.db2.gz SLRBXAUDEQGJCB-UHFFFAOYSA-N 0 0 347.631 8.366 50 30 EKEARN CCCCCCCCCCCCOc1ccc(C(=O)CC)c(O)c1 ZINC000100730506 520011147 /nfs/dbraw/zinc/01/11/47/520011147.db2.gz GDYPRAYOOIDCNN-UHFFFAOYSA-N 0 0 334.500 6.285 50 30 EKEARN CCCCCCCCCCOc1ccc(C(=O)CCCCC)c(O)c1 ZINC000100730610 520021611 /nfs/dbraw/zinc/02/16/11/520021611.db2.gz XWKYZHLOQVYKLN-UHFFFAOYSA-N 0 0 348.527 6.675 50 30 EKEARN CCCCCCCCCCCCCC(=O)c1ccc(OC)cc1O ZINC000100730626 564177719 /nfs/dbraw/zinc/17/77/19/564177719.db2.gz XNUCXSWSJRFHGX-UHFFFAOYSA-N 0 0 334.500 6.285 50 30 EKEARN CCCCCCCCSc1nc2ccc(NC(C)=O)cc2s1 ZINC000100733514 520044653 /nfs/dbraw/zinc/04/46/53/520044653.db2.gz PPXHEEWRRPDHTC-UHFFFAOYSA-N 0 0 336.526 5.707 50 30 EKEARN CCCCCCCCCCCCNC(=O)c1cc(Cl)ccc1O ZINC000100733712 563982737 /nfs/dbraw/zinc/98/27/37/563982737.db2.gz HEDCXAYEYAAXMC-UHFFFAOYSA-N 0 0 339.907 5.696 50 30 EKEARN CCCCCCCCOc1ccc(-c2nc3ccccc3[nH]2)c(O)c1 ZINC000100733885 563982735 /nfs/dbraw/zinc/98/27/35/563982735.db2.gz NVOCUFDIHBNFBV-UHFFFAOYSA-N 0 0 338.451 5.675 50 30 EKEARN CCCCCCCCCCCCCC(=O)Nc1cc(C)ccc1O ZINC000100734635 563982733 /nfs/dbraw/zinc/98/27/33/563982733.db2.gz NCOGCKYKJYGRBU-UHFFFAOYSA-N 0 0 333.516 6.340 50 30 EKEARN CCCCCCCCCCCCCC(=O)NCc1ccc(C)cc1C ZINC000100734653 563982732 /nfs/dbraw/zinc/98/27/32/563982732.db2.gz PMBXBNWONUYWJT-UHFFFAOYSA-N 0 0 345.571 6.621 50 30 EKEARN CCCCCCCCCCCCCCCCCCC1CCCCC1 ZINC000100742777 519995327 /nfs/dbraw/zinc/99/53/27/519995327.db2.gz MWWVNZNVTGBKQO-UHFFFAOYSA-N 0 0 336.648 9.218 50 30 EKEARN CCCCCCCCCCCCCCCc1noc2c1C(=O)CCC2 ZINC000100751419 563995191 /nfs/dbraw/zinc/99/51/91/563995191.db2.gz GNSYSGWHADKRRE-UHFFFAOYSA-N 0 0 347.543 7.153 50 30 EKEARN COc1ccc(C2=C(Nc3ccc(F)cc3)c3ccccc3C2=O)cc1 ZINC000100799122 219106950 /nfs/dbraw/zinc/10/69/50/219106950.db2.gz TZMNHBQLXROXCJ-UHFFFAOYSA-N 0 0 345.373 5.011 50 30 EKEARN CCCCCCCCCCCCCCCC(=O)Nc1cccc(N)c1 ZINC000100813539 564076283 /nfs/dbraw/zinc/07/62/83/564076283.db2.gz URRCJEJRVAKFLX-UHFFFAOYSA-N 0 0 346.559 6.689 50 30 EKEARN CCCCCCCCCCCCOC(=O)CC[C@](C)(CC)[N+](=O)[O-] ZINC000100815667 219108138 /nfs/dbraw/zinc/10/81/38/219108138.db2.gz XDJAWIDWUMLDHF-IBGZPJMESA-N 0 0 343.508 5.676 50 30 EKEARN CCCCCCCCCCCCOC(=O)CC[C@@](C)(CC)[N+](=O)[O-] ZINC000100815669 219107963 /nfs/dbraw/zinc/10/79/63/219107963.db2.gz XDJAWIDWUMLDHF-LJQANCHMSA-N 0 0 343.508 5.676 50 30 EKEARN CCCCCCCCCCCCCCNC(=S)Nc1ccccc1 ZINC000100815671 563844055 /nfs/dbraw/zinc/84/40/55/563844055.db2.gz VYPUTGOCHAGRIZ-UHFFFAOYSA-N 0 0 348.600 6.674 50 30 EKEARN CCCCCCCCCCCCCCOc1ccccc1NC(C)=O ZINC000100816606 520008417 /nfs/dbraw/zinc/00/84/17/520008417.db2.gz KRMVKLLDHVNWEK-UHFFFAOYSA-N 0 0 347.543 6.725 50 30 EKEARN Cc1ccc(NC(=CC(=O)c2ccccc2)C(=O)c2ccccc2)cc1 ZINC000100829728 563982763 /nfs/dbraw/zinc/98/27/63/563982763.db2.gz ZYVVCLUJRPAALP-PGMHBOJBSA-N 0 0 341.410 5.057 50 30 EKEARN CCCCCCCCCCCc1nc2ccccc2n1CCCC ZINC000100850424 564016958 /nfs/dbraw/zinc/01/69/58/564016958.db2.gz DICGSBUPWPTIRI-UHFFFAOYSA-N 0 0 328.544 6.910 50 30 EKEARN CCCCCCCCCCCCCCCCSc1ccccc1 ZINC000100853168 520003050 /nfs/dbraw/zinc/00/30/50/520003050.db2.gz GMSGSSHDMUJLKD-UHFFFAOYSA-N 0 0 334.613 8.260 50 30 EKEARN CCCCCCCCNc1ccc(SCCCCCCCC)cc1 ZINC000100853175 219108554 /nfs/dbraw/zinc/10/85/54/219108554.db2.gz JNWGHOHOWWSLEE-UHFFFAOYSA-N 0 0 349.628 7.912 50 30 EKEARN CCCCCCCC[N+](C)(C)CCCCCCCCCCC(=O)[O-] ZINC000100858410 203998180 /nfs/dbraw/zinc/99/81/80/203998180.db2.gz GURFOAVQEOYGSB-UHFFFAOYSA-O 0 0 342.588 6.019 50 30 EKEARN Clc1ccc(-c2nc(/C=N/c3ccccc3)c3ccccn32)cc1 ZINC000100859338 206259500 /nfs/dbraw/zinc/25/95/00/206259500.db2.gz QWEZQWLXQLOFQN-HYARGMPZSA-N 0 0 331.806 5.405 50 30 EKEARN Clc1ccccc1-c1nc(/C=N/c2ccccc2)c2ccccn21 ZINC000100859346 206259735 /nfs/dbraw/zinc/25/97/35/206259735.db2.gz UWEGSYVPEZPATE-HYARGMPZSA-N 0 0 331.806 5.405 50 30 EKEARN CCCCCCCCCCn1c2ccccc2nc1CCCCC ZINC000100863888 219110186 /nfs/dbraw/zinc/11/01/86/219110186.db2.gz XFXFQTHAFGRIOT-UHFFFAOYSA-N 0 0 328.544 6.910 50 30 EKEARN O=C1c2ccccc2SC1=C(Nc1ccccc1)c1ccccc1 ZINC000100867523 563982785 /nfs/dbraw/zinc/98/27/85/563982785.db2.gz RGWJIBKCBSKEQG-XUTLUUPISA-N 0 0 329.424 5.456 50 30 EKEARN CCCCCCC[C@@H]1C(=O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000100870695 219110005 /nfs/dbraw/zinc/11/00/05/219110005.db2.gz XGOHLQCHAGLKHP-CQOQZXRMSA-N 0 0 349.518 6.008 50 30 EKEARN N#Cc1cc(-c2ccccc2)oc1/N=C/c1ccc(Cl)cc1Cl ZINC000100914381 219110859 /nfs/dbraw/zinc/11/08/59/219110859.db2.gz ADBCYVSXSOHYDN-SSDVNMTOSA-N 0 0 341.197 5.876 50 30 EKEARN CCCCCCCc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000100916120 520070683 /nfs/dbraw/zinc/07/06/83/520070683.db2.gz MDLWQKYIMSTWFT-UHFFFAOYSA-N 0 0 332.443 5.662 50 30 EKEARN Oc1ccc2ccccc2c1/C=N/CC12C[C@@H]3CC(C[C@@H](C3)C1)CC2 ZINC000100920792 219111610 /nfs/dbraw/zinc/11/16/10/219111610.db2.gz TYPJGUKCUWMYMK-XKINHMTFSA-N 0 0 333.475 5.571 50 30 EKEARN O/N=C(/c1cc2cc3ccccc3nc2s1)c1ccccc1Cl ZINC000100925339 219111731 /nfs/dbraw/zinc/11/17/31/219111731.db2.gz HKZXMYUDCCOVGS-HEHNFIMWSA-N 0 0 338.819 5.330 50 30 EKEARN CCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000100925513 564177720 /nfs/dbraw/zinc/17/77/20/564177720.db2.gz ICENFDVWJLXEDN-UHFFFAOYSA-N 0 0 326.824 5.327 50 30 EKEARN CCCCCCCCCCC(=N/O)/C(=N\O)c1ccc(C(C)C)cc1 ZINC000100933910 563982863 /nfs/dbraw/zinc/98/28/63/563982863.db2.gz BTGMOIQLMBAFNS-YEUCEMRASA-N 0 0 346.515 6.349 50 30 EKEARN CCCCCCCCCCc1ccc(O)c(N=Nc2cccnc2)c1 ZINC000100934668 219111605 /nfs/dbraw/zinc/11/16/05/219111605.db2.gz NDSDPIKAHZJXEP-WCWDXBQESA-N 0 0 339.483 6.886 50 30 EKEARN CCCCCCCCCCCCCCCCOc1ccc(OC)cc1 ZINC000100937852 564076321 /nfs/dbraw/zinc/07/63/21/564076321.db2.gz ZRBCTBULZAOUQB-UHFFFAOYSA-N 0 0 348.571 7.555 50 30 EKEARN CCCCCCCCCOc1ccc(CCc2ccc(O)cc2)cc1 ZINC000100938980 219111603 /nfs/dbraw/zinc/11/16/03/219111603.db2.gz HCNVWFWUZQTUBB-UHFFFAOYSA-N 0 0 340.507 6.307 50 30 EKEARN O=C1c2ccccc2C(Nc2ccc(Cl)cc2)=C1c1ccccc1 ZINC000100942501 219111770 /nfs/dbraw/zinc/11/17/70/219111770.db2.gz DHNLBEMZYYHAJS-UHFFFAOYSA-N 0 0 331.802 5.517 50 30 EKEARN CCCCCCCCCCCNC(=O)CNc1cc(C)ccc1C ZINC000100955737 258069062 /nfs/dbraw/zinc/06/90/62/258069062.db2.gz WCBBWRPSTWHLRR-UHFFFAOYSA-N 0 0 332.532 5.362 50 30 EKEARN CCCCCCCCCCCCCCCCCC(O)(CC)CC ZINC000100963072 257911053 /nfs/dbraw/zinc/91/10/53/257911053.db2.gz ZKYVINLQIWFWEM-UHFFFAOYSA-N 0 0 326.609 7.799 50 30 EKEARN Clc1ccc(/C=N/CCCC/N=C/c2ccc(Cl)cc2)cc1 ZINC000100969233 219112983 /nfs/dbraw/zinc/11/29/83/219112983.db2.gz CWGFYCFZQFABTB-JFMUQQRKSA-N 0 0 333.262 5.312 50 30 EKEARN CCCCCCCCCCCC(=O)Nc1cc(C(C)C)ccc1C ZINC000100969416 258069063 /nfs/dbraw/zinc/06/90/63/258069063.db2.gz DGXXCWTZCYLTFC-UHFFFAOYSA-N 0 0 331.544 6.978 50 30 EKEARN CCCCCCCCCCCC(=O)Nc1ccc(N(C)C(C)=O)cc1 ZINC000100970994 219113105 /nfs/dbraw/zinc/11/31/05/219113105.db2.gz CXYKURNSHLOTCH-UHFFFAOYSA-N 0 0 346.515 5.529 50 30 EKEARN CCCCCCCCCCCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000100971135 257911046 /nfs/dbraw/zinc/91/10/46/257911046.db2.gz CTNMTGAQHJRXIH-UHFFFAOYSA-N 0 0 332.488 5.504 50 30 EKEARN FC(F)(F)c1cc(C(F)(F)F)cc(C(F)(F)c2ccccc2)c1 ZINC000100975081 219112805 /nfs/dbraw/zinc/11/28/05/219112805.db2.gz MYJHPWRDPBQEMC-UHFFFAOYSA-N 0 0 340.213 5.864 50 30 EKEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)c1ccc(C(F)(F)F)cc1 ZINC000100987699 219112529 /nfs/dbraw/zinc/11/25/29/219112529.db2.gz RDHIUXVWCPMFHM-PDGQHHTCSA-N 0 0 345.364 5.200 50 30 EKEARN CCCCCCCCCCCCc1ccc(NC(=O)CC(C)=O)cc1 ZINC000100992437 520015364 /nfs/dbraw/zinc/01/53/64/520015364.db2.gz NRRVZLFVFLROGI-UHFFFAOYSA-N 0 0 345.527 6.068 50 30 EKEARN CCCCCCCCCCCCCCCC(=O)c1ccc(O)cc1 ZINC000100994394 563982897 /nfs/dbraw/zinc/98/28/97/563982897.db2.gz CZYGBHHNNQJSNV-UHFFFAOYSA-N 0 0 332.528 7.056 50 30 EKEARN CCCCCCCCCCCCCCCCOc1cccc(N)c1 ZINC000101004963 564017241 /nfs/dbraw/zinc/01/72/41/564017241.db2.gz UQQKQXGXSVISCN-UHFFFAOYSA-N 0 0 333.560 7.129 50 30 EKEARN Cc1ccc([C@]2(CC/N=C/c3ccco3)CCO[C@H](C(C)C)C2)cc1 ZINC000101007506 219113824 /nfs/dbraw/zinc/11/38/24/219113824.db2.gz FLNVWIKRXYKORZ-PGJCHXKPSA-N 0 0 339.479 5.170 50 30 EKEARN Cc1ccc([C@@]2(CC/N=C/c3ccco3)CCO[C@H](C(C)C)C2)cc1 ZINC000101007507 219113593 /nfs/dbraw/zinc/11/35/93/219113593.db2.gz FLNVWIKRXYKORZ-BIDSZKBNSA-N 0 0 339.479 5.170 50 30 EKEARN COc1ccc(/N=C/c2ccc(-c3cccc4ccccc43)o2)cc1 ZINC000101007860 206269936 /nfs/dbraw/zinc/26/99/36/206269936.db2.gz QXEPJRCKYCDAGI-HZHRSRAPSA-N 0 0 327.383 5.859 50 30 EKEARN CCCCCCCCCCCCCCOc1ccc(NC(C)=O)cc1 ZINC000101012135 520006906 /nfs/dbraw/zinc/00/69/06/520006906.db2.gz SYWTVHJSFINAHU-UHFFFAOYSA-N 0 0 347.543 6.725 50 30 EKEARN C=Cc1ccc(S(=O)(=O)CCCCCCCCCCCC)cc1 ZINC000101013707 564177729 /nfs/dbraw/zinc/17/77/29/564177729.db2.gz DVQIRBJGHKHYHX-UHFFFAOYSA-N 0 0 336.541 6.024 50 30 EKEARN CCCCCCCCCCCCCCCCOc1ccccc1N ZINC000101013938 520002057 /nfs/dbraw/zinc/00/20/57/520002057.db2.gz IZMUINRFXLBLNK-UHFFFAOYSA-N 0 0 333.560 7.129 50 30 EKEARN CCCCCCCCCCCCCCCCOc1ccccc1C=O ZINC000101014060 520002116 /nfs/dbraw/zinc/00/21/16/520002116.db2.gz YTWQTYKKFWMTBK-UHFFFAOYSA-N 0 0 346.555 7.359 50 30 EKEARN CCCCCCCCCCCCCCCc1ccc(C(C)=O)cc1 ZINC000101016069 520005123 /nfs/dbraw/zinc/00/51/23/520005123.db2.gz PRVLLKPVIDBHBL-UHFFFAOYSA-N 0 0 330.556 7.523 50 30 EKEARN CCCCCCCCCCCCCCCCCC(=O)CCCCC ZINC000101016296 219113826 /nfs/dbraw/zinc/11/38/26/219113826.db2.gz PDBSTMJYDPIYKC-UHFFFAOYSA-N 0 0 338.620 8.397 50 30 EKEARN CCCCCCCCCCCCCCOc1cccc(C(=O)OC)c1 ZINC000101016504 520008269 /nfs/dbraw/zinc/00/82/69/520008269.db2.gz SLZPMAFMEORNOE-UHFFFAOYSA-N 0 0 348.527 6.553 50 30 EKEARN CCCCCCCCCCCCCCOc1ccc(C(=O)OC)cc1 ZINC000101016505 564076340 /nfs/dbraw/zinc/07/63/40/564076340.db2.gz IEBKXTAWJHGKAC-UHFFFAOYSA-N 0 0 348.527 6.553 50 30 EKEARN CCCCCCCCCCCCCCOc1cccc(NC(C)=O)c1 ZINC000101016511 564076337 /nfs/dbraw/zinc/07/63/37/564076337.db2.gz HWUOYOFPSMEJLB-UHFFFAOYSA-N 0 0 347.543 6.725 50 30 EKEARN CCCCCCCCCCCCCCOc1cccc([N+](=O)[O-])c1 ZINC000101016516 520007608 /nfs/dbraw/zinc/00/76/08/520007608.db2.gz FZBZRBDRNALCQM-UHFFFAOYSA-N 0 0 335.488 6.675 50 30 EKEARN CCCCCCCCCCCCCCC[C@](O)(CC)c1ccccc1 ZINC000101016549 520005990 /nfs/dbraw/zinc/00/59/90/520005990.db2.gz YPXPWQLLFTYXQX-XMMPIXPASA-N 0 0 346.599 7.766 50 30 EKEARN CCCCCCCCCCCCCCC[C@@](O)(CC)c1ccccc1 ZINC000101016552 564076345 /nfs/dbraw/zinc/07/63/45/564076345.db2.gz YPXPWQLLFTYXQX-DEOSSOPVSA-N 0 0 346.599 7.766 50 30 EKEARN CCCCCCCCCCCCOc1cccc([C@](C)(O)CC)c1 ZINC000101016555 564076348 /nfs/dbraw/zinc/07/63/48/564076348.db2.gz KBXZZDPTLMJQIQ-JOCHJYFZSA-N 0 0 334.544 6.604 50 30 EKEARN CCCCCCCCCCCCOc1cccc([C@@](C)(O)CC)c1 ZINC000101016557 564076344 /nfs/dbraw/zinc/07/63/44/564076344.db2.gz KBXZZDPTLMJQIQ-QFIPXVFZSA-N 0 0 334.544 6.604 50 30 EKEARN CCCCCCCCCCCCCCCCN(C)CC(=O)OCC ZINC000101016674 219114718 /nfs/dbraw/zinc/11/47/18/219114718.db2.gz QQHDPRGGBDXRRD-UHFFFAOYSA-N 0 0 341.580 5.963 50 30 EKEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)c1ccc(C(C)(C)C)cc1 ZINC000101016863 219114782 /nfs/dbraw/zinc/11/47/82/219114782.db2.gz QXXOYXLFPZDRBG-RCCKNPSSSA-N 0 0 333.475 5.478 50 30 EKEARN CCCCCCCCCCCCCCCCNc1nc(C)cc(=O)[nH]1 ZINC000101017005 564076346 /nfs/dbraw/zinc/07/63/46/564076346.db2.gz AQFWGHDNJQGQET-UHFFFAOYSA-N 0 0 349.563 6.384 50 30 EKEARN CCCCCCCCCCCCCCCC(=O)c1ccc(N)cc1 ZINC000101017294 564076343 /nfs/dbraw/zinc/07/63/43/564076343.db2.gz YTPKATBWHPBWGT-UHFFFAOYSA-N 0 0 331.544 6.933 50 30 EKEARN CCCCCCCCCCCCCCCCNc1cc(C)cc(C)c1 ZINC000101017439 564076339 /nfs/dbraw/zinc/07/63/39/564076339.db2.gz ALTDIJASPATVCE-UHFFFAOYSA-N 0 0 345.615 8.197 50 30 EKEARN CCCCCCCCCCCCCCCC(=O)c1ccc(C)cc1 ZINC000101017462 564076341 /nfs/dbraw/zinc/07/63/41/564076341.db2.gz GJLIVZKHVWNESE-UHFFFAOYSA-N 0 0 330.556 7.659 50 30 EKEARN CCCCCCCCCCCCCCCCCC(=O)NC(N)=O ZINC000101019739 219114208 /nfs/dbraw/zinc/11/42/08/219114208.db2.gz LCTOXAHEDJCUII-UHFFFAOYSA-N 0 0 326.525 5.443 50 30 EKEARN CCCCCCCCCCCCCCCCCCNC(=O)CC ZINC000101019953 219114790 /nfs/dbraw/zinc/11/47/90/219114790.db2.gz CRNNCCNCZAMZKA-UHFFFAOYSA-N 0 0 325.581 6.774 50 30 EKEARN CCCCCCCCCCCCCCCCCC(=O)c1ccco1 ZINC000101020006 564076338 /nfs/dbraw/zinc/07/63/38/564076338.db2.gz VCKFZUGRQJEIQE-UHFFFAOYSA-N 0 0 334.544 7.724 50 30 EKEARN CCCCCCCCCCCCCCOc1ccc(C(C)=O)cc1 ZINC000101022700 219114587 /nfs/dbraw/zinc/11/45/87/219114587.db2.gz BJIVEFYEHPBIEC-UHFFFAOYSA-N 0 0 332.528 6.969 50 30 EKEARN Brc1ccc(/N=C(/c2ccccc2)c2ccncc2)cc1 ZINC000101063624 219115245 /nfs/dbraw/zinc/11/52/45/219115245.db2.gz PCFXIKFHNGCKDC-UZYVYHOESA-N 0 0 337.220 5.013 50 30 EKEARN Cc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)c(Cl)c1 ZINC000101091357 219116119 /nfs/dbraw/zinc/11/61/19/219116119.db2.gz LBNVOSHPYYCRAY-UHFFFAOYSA-N 0 0 345.829 5.825 50 30 EKEARN Cc1ccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc1Cl ZINC000101091476 219115852 /nfs/dbraw/zinc/11/58/52/219115852.db2.gz GLKGCIQOHNARFU-UHFFFAOYSA-N 0 0 345.829 5.825 50 30 EKEARN COc1ccc(C2=C(Nc3cccc(F)c3)c3ccccc3C2=O)cc1 ZINC000101093087 219116357 /nfs/dbraw/zinc/11/63/57/219116357.db2.gz YLNKQXUZETVTPZ-UHFFFAOYSA-N 0 0 345.373 5.011 50 30 EKEARN COc1ccc(C2=C(Nc3cccc(C)c3)c3ccccc3C2=O)cc1 ZINC000101093147 204001007 /nfs/dbraw/zinc/00/10/07/204001007.db2.gz NKCJQQQITWVVOK-UHFFFAOYSA-N 0 0 341.410 5.180 50 30 EKEARN C=C[C@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1O[C@@]2(C)CCC=C(C)C ZINC000101105826 219116143 /nfs/dbraw/zinc/11/61/43/219116143.db2.gz LXELBISQABCQRG-ZDFPQIBNSA-N 0 0 326.480 5.997 50 30 EKEARN CCCCCCCCCCCCc1cc(Cc2ccccc2)on1 ZINC000101174690 219118448 /nfs/dbraw/zinc/11/84/48/219118448.db2.gz FPXJRHZBYLCMMG-UHFFFAOYSA-N 0 0 327.512 6.729 50 30 EKEARN Cc1ccc2oc(-c3cccc(/N=C/C=C/c4ccco4)c3)nc2c1 ZINC000101200914 219118819 /nfs/dbraw/zinc/11/88/19/219118819.db2.gz DUHUVIONHFLCSN-JDMRMUDYSA-N 0 0 328.371 5.812 50 30 EKEARN C=CCn1c2c(s/c1=N/c1ccc(C)cc1)CCc1ccccc1-2 ZINC000101350298 219123284 /nfs/dbraw/zinc/12/32/84/219123284.db2.gz VXIVQSWZGJTFMI-QURGRASLSA-N 0 0 332.472 5.042 50 30 EKEARN CCCCCCCCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000101356733 204004631 /nfs/dbraw/zinc/00/46/31/204004631.db2.gz RJHJCQYYGFQJBI-UHFFFAOYSA-N 0 0 346.471 5.198 50 30 EKEARN CCCCCCCCSCC(O)CSCCCCCCCC ZINC000101357489 204005663 /nfs/dbraw/zinc/00/56/63/204005663.db2.gz JRVSMEUYHGMMSU-UHFFFAOYSA-N 0 0 348.662 6.535 50 30 EKEARN CCCCCCCCCCCCCCCCCC(=O)C[S@](C)=O ZINC000101358475 219124358 /nfs/dbraw/zinc/12/43/58/219124358.db2.gz GAPNHXYBXAYREF-HSZRJFAPSA-N 0 0 344.605 6.196 50 30 EKEARN CCCCCCCCCCCCCCCCCC(=O)C[S@@](C)=O ZINC000101358477 219124099 /nfs/dbraw/zinc/12/40/99/219124099.db2.gz GAPNHXYBXAYREF-QHCPKHFHSA-N 0 0 344.605 6.196 50 30 EKEARN CCCCCCCCCCCc1nc2c(c3c1CCCC3)CCCC2 ZINC000101358522 563983023 /nfs/dbraw/zinc/98/30/23/563983023.db2.gz KRCQGEJSLMOHHI-UHFFFAOYSA-N 0 0 341.583 6.913 50 30 EKEARN Cc1ccc(Cl)cc1NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC000101363975 219124052 /nfs/dbraw/zinc/12/40/52/219124052.db2.gz ACZCCRXREPLVSZ-UHFFFAOYSA-N 0 0 345.829 5.825 50 30 EKEARN CCCCCCCCCCCC(CCCCCC)CCCCCC ZINC000101370673 219125165 /nfs/dbraw/zinc/12/51/65/219125165.db2.gz NSFMUHNGROVPRE-UHFFFAOYSA-N 0 0 338.664 9.464 50 30 EKEARN CCCCCCCCCCCCCCCCCn1ncsc1=N ZINC000101386893 564019419 /nfs/dbraw/zinc/01/94/19/564019419.db2.gz QCEHWSUFSDQQCY-UHFFFAOYSA-N 0 0 339.593 6.295 50 30 EKEARN CCCCCCCc1nc(C#N)c(N=NCc2cccc(Cl)c2)o1 ZINC000101411337 520070360 /nfs/dbraw/zinc/07/03/60/520070360.db2.gz AUSYVWASIYCMFK-FYJGNVAPSA-N 0 0 344.846 5.159 50 30 EKEARN CCCCCCCc1nc(C#N)c(N=NCc2ccc(Cl)cc2)o1 ZINC000101411361 564019433 /nfs/dbraw/zinc/01/94/33/564019433.db2.gz QLWSTIRNFKOXLN-FYJGNVAPSA-N 0 0 344.846 5.159 50 30 EKEARN CCCCCCCc1nc(C#N)c(N=NCc2ccc(CC)cc2)o1 ZINC000101411538 564019436 /nfs/dbraw/zinc/01/94/36/564019436.db2.gz FMTMVVKRUWYKEV-PXLXIMEGSA-N 0 0 338.455 5.068 50 30 EKEARN Cc1ccc(C(=O)C=CNc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000101420358 564019441 /nfs/dbraw/zinc/01/94/41/564019441.db2.gz GEZGDVZWWKJPFH-HJWRWDBZSA-N 0 0 339.744 5.476 50 30 EKEARN CCCCCCCCCCc1nc2ccccc2n1CCCCC ZINC000101433880 219127138 /nfs/dbraw/zinc/12/71/38/219127138.db2.gz VDDVXQHMESXKHC-UHFFFAOYSA-N 0 0 328.544 6.910 50 30 EKEARN CCCCCCC[NH2+]Cc1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000101501857 204008798 /nfs/dbraw/zinc/00/87/98/204008798.db2.gz KRUXWRVVZUZUQR-UHFFFAOYSA-N 0 0 349.858 5.358 50 30 EKEARN CCCCCCCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000101508583 564019462 /nfs/dbraw/zinc/01/94/62/564019462.db2.gz LBMIQTNISHUWON-UHFFFAOYSA-N 0 0 334.460 5.246 50 30 EKEARN CCOc1ccc2nc(/N=C/c3c(O)ccc4ccccc43)sc2c1 ZINC000101667564 204018805 /nfs/dbraw/zinc/01/88/05/204018805.db2.gz QTXVWUCYQWZHIK-CIAFOILYSA-N 0 0 348.427 5.304 50 30 EKEARN CCOc1ccc2ccccc2c1/C=N/c1ccc2ccccc2c1 ZINC000101667602 204017488 /nfs/dbraw/zinc/01/74/88/204017488.db2.gz ZJKWNWRJYXCGRU-LFVJCYFKSA-N 0 0 325.411 6.142 50 30 EKEARN CCCCCCCCCCC(=O)CCCC(=O)NCCCCCC ZINC000101674696 219155051 /nfs/dbraw/zinc/15/50/51/219155051.db2.gz WGJGRDSSDBABPR-UHFFFAOYSA-N 0 0 339.564 5.953 50 30 EKEARN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc(F)cc1 ZINC000101763765 204020937 /nfs/dbraw/zinc/02/09/37/204020937.db2.gz IKFNLMXFFZPMRT-CLCOLTQESA-N 0 0 348.421 5.051 50 30 EKEARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc(C)c(C)c1 ZINC000101764195 219162783 /nfs/dbraw/zinc/16/27/83/219162783.db2.gz JVPUPZIASDZQPL-GFMRDNFCSA-N 0 0 344.458 5.275 50 30 EKEARN CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccccc1 ZINC000101764520 219162805 /nfs/dbraw/zinc/16/28/05/219162805.db2.gz ZIBCDVQPZLGYBP-QETBKQIWSA-N 0 0 332.447 5.002 50 30 EKEARN CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccccc1 ZINC000101764523 219162896 /nfs/dbraw/zinc/16/28/96/219162896.db2.gz ZIBCDVQPZLGYBP-GYXJVLCKSA-N 0 0 332.447 5.002 50 30 EKEARN CCc1ccc(/N=C2/c3cc(C)cc4c3N(C2=O)C(C)(C)C=C4C)cc1 ZINC000101764544 219162920 /nfs/dbraw/zinc/16/29/20/219162920.db2.gz PZLBXSPWVKVIAC-GFMRDNFCSA-N 0 0 344.458 5.220 50 30 EKEARN CCCCCCCCCCCCc1ccc(Br)s1 ZINC000101772461 520015031 /nfs/dbraw/zinc/01/50/31/520015031.db2.gz MOSAVYMGWTYDNS-UHFFFAOYSA-N 0 0 331.363 6.974 50 30 EKEARN Cc1n[nH]c(C)c1Sc1ccccc1/N=C\C=C\c1ccccc1 ZINC000101972112 204028922 /nfs/dbraw/zinc/02/89/22/204028922.db2.gz MBQPXFGNXXPHIA-HCYZRJLASA-N 0 0 333.460 5.593 50 30 EKEARN CCCCCCCCCCSCC(=O)Nc1ccc(Cl)cc1 ZINC000101991571 520023950 /nfs/dbraw/zinc/02/39/50/520023950.db2.gz BASLIOONIQBVCI-UHFFFAOYSA-N 0 0 341.948 6.152 50 30 EKEARN CCCCCCCCCCCCCCCCCOC(=O)n1cccc1 ZINC000102060551 564019863 /nfs/dbraw/zinc/01/98/63/564019863.db2.gz QISYEZKXYHSPBA-UHFFFAOYSA-N 0 0 349.559 7.344 50 30 EKEARN CCCCCCCCCCCC(=O)Nc1ccsc1C(=O)OC ZINC000102064335 519983442 /nfs/dbraw/zinc/98/34/42/519983442.db2.gz NKCYCYRKBFDRHK-UHFFFAOYSA-N 0 0 339.501 5.394 50 30 EKEARN CCCCCCCCCCCNC(=O)CCc1ccc(OC)cc1 ZINC000102064409 520015669 /nfs/dbraw/zinc/01/56/69/520015669.db2.gz UMSGWVPUQWTMQK-UHFFFAOYSA-N 0 0 333.516 5.275 50 30 EKEARN CCCCCCCCCCCCNC(=O)c1cc(OC)cc(OC)c1 ZINC000102065186 520010535 /nfs/dbraw/zinc/01/05/35/520010535.db2.gz JVVNXRPYBOJPFN-UHFFFAOYSA-N 0 0 349.515 5.355 50 30 EKEARN CCCCCCCCn1c(/C=C/c2ccccc2)nc2ccccc21 ZINC000102191638 564019917 /nfs/dbraw/zinc/01/99/17/564019917.db2.gz FFDOQLKPICOCNH-ISLYRVAYSA-N 0 0 332.491 6.567 50 30 EKEARN CCCCCCCCCn1c(/C=C/c2ccccc2)nc2ccccc21 ZINC000102191645 564019910 /nfs/dbraw/zinc/01/99/10/564019910.db2.gz YZIQFVACKKEBCY-VHEBQXMUSA-N 0 0 346.518 6.957 50 30 EKEARN CCCCCCCCCCCCNC(=O)/C=C\c1ccccc1Cl ZINC000102241788 564019933 /nfs/dbraw/zinc/01/99/33/564019933.db2.gz USKIAXJIHKGEKH-MSUUIHNZSA-N 0 0 349.946 6.390 50 30 EKEARN CCCCCCCC/C=C/CCCCCCCOC(=O)CNC ZINC000102320485 219194638 /nfs/dbraw/zinc/19/46/38/219194638.db2.gz IKVPZTWLWKWXLG-ZHACJKMWSA-N 0 0 325.537 5.396 50 30 EKEARN Cc1ccc(-c2nc3ccc(/N=C/c4ccccc4O)cc3o2)cc1 ZINC000102417470 219202031 /nfs/dbraw/zinc/20/20/31/219202031.db2.gz NFIXTNHWCQZFJD-LPYMAVHISA-N 0 0 328.371 5.259 50 30 EKEARN Cc1ccc(-c2nc3ccc(/N=C/c4ccc(Cl)cc4)cc3o2)cc1 ZINC000102417480 219202142 /nfs/dbraw/zinc/20/21/42/219202142.db2.gz DHSMBGSBKXGOOT-YDZHTSKRSA-N 0 0 346.817 6.207 50 30 EKEARN Cc1cccc(-c2nc3ccc(/N=C/c4ccc(Cl)cc4)cc3o2)c1 ZINC000102417494 219201602 /nfs/dbraw/zinc/20/16/02/219201602.db2.gz GOTBNSDUIMGENG-YDZHTSKRSA-N 0 0 346.817 6.207 50 30 EKEARN Cc1cccc(-c2nc3ccc(/N=C/c4ccccc4O)cc3o2)c1 ZINC000102417509 219201910 /nfs/dbraw/zinc/20/19/10/219201910.db2.gz VRSFKITVXHLMDX-LPYMAVHISA-N 0 0 328.371 5.259 50 30 EKEARN Clc1ccc(/C=N/c2ccc3nc(-c4ccccc4)oc3c2)cc1 ZINC000102419306 219201804 /nfs/dbraw/zinc/20/18/04/219201804.db2.gz GBGHQSISOYWQPU-LPYMAVHISA-N 0 0 332.790 5.899 50 30 EKEARN Oc1ccc(Cl)cc1/C=N/c1ccc2nc(-c3ccccc3)oc2c1 ZINC000102419322 219202021 /nfs/dbraw/zinc/20/20/21/219202021.db2.gz OGQHXRAZYSNAII-WSDLNYQXSA-N 0 0 348.789 5.604 50 30 EKEARN Cc1cc(/N=C/c2ccc(Cl)cc2)ccc1NC(=O)c1ccco1 ZINC000102422503 204037280 /nfs/dbraw/zinc/03/72/80/204037280.db2.gz IKJOVEFSZOHWLL-CIAFOILYSA-N 0 0 338.794 5.244 50 30 EKEARN [O-]c1c(Br)cc(Cl)cc1/C=N/c1ccc(Cl)cc1 ZINC000102422540 204037345 /nfs/dbraw/zinc/03/73/45/204037345.db2.gz WNFIRQCRBLWPAM-REZTVBANSA-N 0 0 345.023 5.212 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(C#N)cc1 ZINC000102437846 219202715 /nfs/dbraw/zinc/20/27/15/219202715.db2.gz UMGJYIJYKBZCFZ-NRFANRHFSA-N 0 0 343.430 5.430 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(C#N)cc1 ZINC000102437849 204038640 /nfs/dbraw/zinc/03/86/40/204038640.db2.gz UMGJYIJYKBZCFZ-OAQYLSRUSA-N 0 0 343.430 5.430 50 30 EKEARN CC(C)(C)c1cc(/N=C/c2ccccc2O)cc(C(C)(C)C)c1O ZINC000102547682 564020224 /nfs/dbraw/zinc/02/02/24/564020224.db2.gz QCMHPCXUKSADMV-LPYMAVHISA-N 0 0 325.452 5.443 50 30 EKEARN CCCCCCCCOc1ccc(C(=O)c2cccc(OC)c2)cc1 ZINC000102580492 564020395 /nfs/dbraw/zinc/02/03/95/564020395.db2.gz IODHZPRMCJINBF-UHFFFAOYSA-N 0 0 340.463 5.666 50 30 EKEARN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccccc1 ZINC000102615707 219214694 /nfs/dbraw/zinc/21/46/94/219214694.db2.gz YRVXLZXCGBCIDL-CZIZESTLSA-N 0 0 326.852 5.288 50 30 EKEARN C=CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N/c1ccccc1 ZINC000102633416 219216418 /nfs/dbraw/zinc/21/64/18/219216418.db2.gz VATCRNPMYSZGFN-XUTLUUPISA-N 0 0 340.879 5.597 50 30 EKEARN COc1ccc([C@@H]2CC(=O)C=C(Nc3ccc(Cl)cc3)C2)cc1 ZINC000102650658 219219451 /nfs/dbraw/zinc/21/94/51/219219451.db2.gz NOAJZSSLPSHYCQ-NNLSSIJJSA-N 0 0 327.811 5.441 50 30 EKEARN COc1ccc([C@H]2CC(=O)C=C(Nc3ccc(Cl)cc3)C2)cc1 ZINC000102650659 219219231 /nfs/dbraw/zinc/21/92/31/219219231.db2.gz NOAJZSSLPSHYCQ-GICLCMKGSA-N 0 0 327.811 5.441 50 30 EKEARN CC(C)(C)c1cc(NC=CC(=O)C(F)(F)F)cc(C(C)(C)C)c1 ZINC000102946633 219242025 /nfs/dbraw/zinc/24/20/25/219242025.db2.gz PBJKMTHBYZXMKZ-BQYQJAHWSA-N 0 0 327.390 5.339 50 30 EKEARN O=C1/C(=C/c2ccc(F)cc2)c2ccccc2/C1=C/c1ccc(F)cc1 ZINC000102965069 564086542 /nfs/dbraw/zinc/08/65/42/564086542.db2.gz KYXLZZSYWPELOU-VOKWCDJLSA-N 0 0 344.360 5.629 50 30 EKEARN CCCCCCC(=O)Nc1ccc(/N=C/c2cccc(OC)c2)cc1 ZINC000102989191 563983326 /nfs/dbraw/zinc/98/33/26/563983326.db2.gz XUWUCXZVIYLJFU-CJLVFECKSA-N 0 0 338.451 5.355 50 30 EKEARN CCCCCCCC(=O)N(Cc1ccc(C)o1)Cc1ccccc1 ZINC000102991597 204058014 /nfs/dbraw/zinc/05/80/14/204058014.db2.gz VCKGUTDCVGNIQJ-UHFFFAOYSA-N 0 0 327.468 5.477 50 30 EKEARN CCCCCCCC(=O)Nc1c(-c2ccccc2)nc2cc(C)ccn21 ZINC000102993348 219246400 /nfs/dbraw/zinc/24/64/00/219246400.db2.gz HSIRCMHESVEOED-UHFFFAOYSA-N 0 0 349.478 5.609 50 30 EKEARN CCCCCCCC(=O)Nc1c(-c2ccc(C)cc2)nc2ccccn21 ZINC000102993374 219246813 /nfs/dbraw/zinc/24/68/13/219246813.db2.gz IGYUFKIQLRQNOG-UHFFFAOYSA-N 0 0 349.478 5.609 50 30 EKEARN CCCCCCCC(=O)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000102993397 219246575 /nfs/dbraw/zinc/24/65/75/219246575.db2.gz GSRCWIUVXHSSLA-UHFFFAOYSA-N 0 0 335.451 5.300 50 30 EKEARN CCCCCCCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000102993486 564021121 /nfs/dbraw/zinc/02/11/21/564021121.db2.gz XLRRLAJUWVKSLW-UHFFFAOYSA-N 0 0 341.499 5.469 50 30 EKEARN CCCCCCCC(=O)Nc1ccc(-c2onc3c2CCCC3)cc1 ZINC000102993651 204058044 /nfs/dbraw/zinc/05/80/44/204058044.db2.gz JCLPWYSTCRAUCR-UHFFFAOYSA-N 0 0 340.467 5.519 50 30 EKEARN CCCCCCCCC(=O)Nc1c(-c2ccco2)nc2ccccn21 ZINC000102996528 219246484 /nfs/dbraw/zinc/24/64/84/219246484.db2.gz PCZJCWSZHMTDGN-UHFFFAOYSA-N 0 0 339.439 5.283 50 30 EKEARN CCCCCCCCCC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000102998092 564021077 /nfs/dbraw/zinc/02/10/77/564021077.db2.gz HXGIQQRLXLWOOC-UHFFFAOYSA-N 0 0 326.484 5.193 50 30 EKEARN CCCCCCCCCCCC(=O)Nc1sc(C)c(C)c1C#N ZINC000103000231 564021075 /nfs/dbraw/zinc/02/10/75/564021075.db2.gz LTAUPCZKYLBGOX-UHFFFAOYSA-N 0 0 334.529 6.096 50 30 EKEARN CCCCCCCCCCSc1nc2c3ccccc3ncn2n1 ZINC000103005648 564021120 /nfs/dbraw/zinc/02/11/20/564021120.db2.gz UOTGBQLRKQTFJJ-UHFFFAOYSA-N 0 0 342.512 5.510 50 30 EKEARN CCCCCCCCCSc1nc2c3ccccc3ncn2n1 ZINC000103005652 520029179 /nfs/dbraw/zinc/02/91/79/520029179.db2.gz KFVJWORNXHNBSS-UHFFFAOYSA-N 0 0 328.485 5.120 50 30 EKEARN CCCCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103537606 219313617 /nfs/dbraw/zinc/31/36/17/219313617.db2.gz YPQSKOKWTZYTCR-UHFFFAOYSA-N 0 0 334.222 5.052 50 30 EKEARN Cc1ccc2c(c1)/C(=N\C1CCCCC1)c1cc3cccc(C)c3nc1-2 ZINC000103541591 564022731 /nfs/dbraw/zinc/02/27/31/564022731.db2.gz SVSYXHITPXTFIS-OCOZRVBESA-N 0 0 340.470 6.002 50 30 EKEARN O=C1c2ccccc2/C(=N\c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000103601409 219315446 /nfs/dbraw/zinc/31/54/46/219315446.db2.gz IKJNSGYZWYRLBW-VKQKAZQBSA-N 0 0 331.802 5.441 50 30 EKEARN O=C1c2ccccc2/C(=N\c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000103601412 219315553 /nfs/dbraw/zinc/31/55/53/219315553.db2.gz IKJNSGYZWYRLBW-YFJJEWJYSA-N 0 0 331.802 5.441 50 30 EKEARN O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000103613712 219317344 /nfs/dbraw/zinc/31/73/44/219317344.db2.gz HAOLKLICEFOBQW-OEFJELFNSA-N 0 0 340.382 5.582 50 30 EKEARN CCCCCCCc1ccc(C(=O)Oc2ccc(C#N)c(F)c2)cc1 ZINC000103638656 563983437 /nfs/dbraw/zinc/98/34/37/563983437.db2.gz BJTUQNRKEMWBHS-UHFFFAOYSA-N 0 0 339.410 5.429 50 30 EKEARN O=C(C=C(Nc1cccc2ccccc21)c1cccs1)C(F)(F)F ZINC000103638659 564023026 /nfs/dbraw/zinc/02/30/26/564023026.db2.gz IGGOTFQNCHDLAT-RVDMUPIBSA-N 0 0 347.361 5.486 50 30 EKEARN Cc1ccc(/C=N/c2c(-c3ccccc3)cnn2-c2ccccc2)o1 ZINC000103639259 219319186 /nfs/dbraw/zinc/31/91/86/219319186.db2.gz TWOLWMMBBBLHCP-HYARGMPZSA-N 0 0 327.387 5.191 50 30 EKEARN O=C1C=C(Nc2ccc3c(c2)oc2ccccc23)c2ccccc2C1=O ZINC000103664965 219318181 /nfs/dbraw/zinc/31/81/81/219318181.db2.gz OBNZGLLFFSYJGE-NKFKGCMQSA-N 0 0 339.350 5.345 50 30 EKEARN CCOc1ccc(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000103748940 219323036 /nfs/dbraw/zinc/32/30/36/219323036.db2.gz BYPDOXLWJSOBLU-FYJGNVAPSA-N 0 0 325.795 5.749 50 30 EKEARN COc1ccc(/C=N/c2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000103750096 219323389 /nfs/dbraw/zinc/32/33/89/219323389.db2.gz LYLMNBKDYCIROY-OEAKJJBVSA-N 0 0 349.817 5.330 50 30 EKEARN Cc1cc(/C=N/c2cc([N+](=O)[O-])ccc2C)c(C)n1-c1ccc(C)cc1 ZINC000103750510 219322777 /nfs/dbraw/zinc/32/27/77/219322777.db2.gz FHNSRGPLZPWDFO-LPYMAVHISA-N 0 0 347.418 5.370 50 30 EKEARN Cc1ccccc1/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 ZINC000103752444 563983449 /nfs/dbraw/zinc/98/34/49/563983449.db2.gz FNPACFQZHCICBZ-OEAKJJBVSA-N 0 0 349.817 5.618 50 30 EKEARN Oc1c(/C=N/c2ccc3c4c(cccc42)CC3)cccc1-c1ccccc1 ZINC000103760898 219323853 /nfs/dbraw/zinc/32/38/53/219323853.db2.gz HWCXHLGKLMWJBT-WGOQTCKBSA-N 0 0 349.433 6.062 50 30 EKEARN COc1cccc(Oc2ccc(NC=CC(=O)C(C)(C)C)cc2)c1 ZINC000103847641 564023189 /nfs/dbraw/zinc/02/31/89/564023189.db2.gz MUFLENFFAQVIHF-SEYXRHQNSA-N 0 0 325.408 5.028 50 30 EKEARN O=C1CCCCC1=CNc1ccc(Oc2ccccc2Cl)cc1 ZINC000103847710 564023184 /nfs/dbraw/zinc/02/31/84/564023184.db2.gz VNDWEYZVIFDKSQ-BUHFOSPRSA-N 0 0 327.811 5.571 50 30 EKEARN CCCCCCCCC/C=C\C(=O)N(Cc1ccccn1)C1CC1 ZINC000103848178 564023199 /nfs/dbraw/zinc/02/31/99/564023199.db2.gz SXNXUUMRDMENLZ-UVTDQMKNSA-N 0 0 328.500 5.270 50 30 EKEARN COc1ccc(C)cc1NC=CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000103848569 563983448 /nfs/dbraw/zinc/98/34/48/563983448.db2.gz BEKCQWLLOUODPT-CCEZHUSRSA-N 0 0 343.426 5.479 50 30 EKEARN CC(C(=O)c1ccccc1)=C(CC(=O)c1ccccc1)c1ccccc1 ZINC000103896200 564023268 /nfs/dbraw/zinc/02/32/68/564023268.db2.gz FYYVLSINTMLUQR-PYCFMQQDSA-N 0 0 340.422 5.616 50 30 EKEARN Clc1ccc(/C=N\CCCC/N=C\c2ccc(Cl)cc2)cc1 ZINC000103906626 564023337 /nfs/dbraw/zinc/02/33/37/564023337.db2.gz CWGFYCFZQFABTB-JZTLMNBPSA-N 0 0 333.262 5.312 50 30 EKEARN O=C(/C=C1\Sc2ccccc2N1Cc1ccccc1)c1ccco1 ZINC000103924170 564023324 /nfs/dbraw/zinc/02/33/24/564023324.db2.gz GMPZBJTZADOUKG-MOSHPQCFSA-N 0 0 333.412 5.116 50 30 EKEARN CCCCCCCCOc1ccc(/C=C/C(=O)N(CC)CC)cc1 ZINC000103966729 564023428 /nfs/dbraw/zinc/02/34/28/564023428.db2.gz WZIWGOJLFJQNKS-SAPNQHFASA-N 0 0 331.500 5.308 50 30 EKEARN COc1ccc([C@@H]2CC(=O)C=C(Nc3cc(Cl)ccc3O)C2)cc1 ZINC000104162169 206486733 /nfs/dbraw/zinc/48/67/33/206486733.db2.gz WWTGHJZRNGDWSR-HJIPDZNASA-N 0 0 343.810 5.146 50 30 EKEARN COc1ccc([C@H]2CC(=O)C=C(Nc3cc(Cl)ccc3O)C2)cc1 ZINC000104162175 564023747 /nfs/dbraw/zinc/02/37/47/564023747.db2.gz WWTGHJZRNGDWSR-QQJFDMGQSA-N 0 0 343.810 5.146 50 30 EKEARN CCCCCCCCCCCC(=O)OC/C=C(\C)CCC=C(C)C ZINC000104253047 219366111 /nfs/dbraw/zinc/36/61/11/219366111.db2.gz LNEUQAMNTXRCPI-DYTRJAOYSA-N 0 0 336.560 7.143 50 30 EKEARN Cc1ccc(Cl)cc1NC=CC(=O)c1ccc(Cl)cc1Cl ZINC000104643136 564023950 /nfs/dbraw/zinc/02/39/50/564023950.db2.gz VKOQYJIRWZHNJL-SREVYHEPSA-N 0 0 340.637 5.764 50 30 EKEARN COc1ccc([C@H]2C(=O)c3ccccc3/C2=N/c2cccc(C)c2)cc1 ZINC000105435777 563983775 /nfs/dbraw/zinc/98/37/75/563983775.db2.gz OIEYVTPSLLPFSE-KKPVDXMRSA-N 0 0 341.410 5.105 50 30 EKEARN COc1ccc([C@@H]2C(=O)c3ccccc3/C2=N/c2cccc(C)c2)cc1 ZINC000105435780 563983787 /nfs/dbraw/zinc/98/37/87/563983787.db2.gz OIEYVTPSLLPFSE-INZAYJCZSA-N 0 0 341.410 5.105 50 30 EKEARN CCCCCCCCNC=C1Sc2cc(OCC)ccc2C1=O ZINC000105470101 564025201 /nfs/dbraw/zinc/02/52/01/564025201.db2.gz QFDHTTXFBDXWCF-JXAWBTAJSA-N 0 0 333.497 5.165 50 30 EKEARN CCCCCCCCNC=C1Sc2cc(OCC)ccc2C1=O ZINC000105470106 564025194 /nfs/dbraw/zinc/02/51/94/564025194.db2.gz QFDHTTXFBDXWCF-NBVRZTHBSA-N 0 0 333.497 5.165 50 30 EKEARN C(#Cc1ccccc1)/C=C\c1ccc2cccc(-c3ccccc3)c2c1 ZINC000106527435 564026438 /nfs/dbraw/zinc/02/64/38/564026438.db2.gz FPOOBBUMYYVNIY-JYRVWZFOSA-N 0 0 330.430 6.572 50 30 EKEARN C=CCc1cccc(/C=N\C2c3ccccc3-c3ccccc32)c1O ZINC000107927378 564130121 /nfs/dbraw/zinc/13/01/21/564130121.db2.gz ZRLQAJIRCIGMBI-IWIPYMOSSA-N 0 0 325.411 5.310 50 30 EKEARN COc1ccc(/C=C\C(=O)c2ccc(Nc3ccccc3)cc2)cc1 ZINC000108238673 564028061 /nfs/dbraw/zinc/02/80/61/564028061.db2.gz PUVXRDDCSNFDEH-SXGWCWSVSA-N 0 0 329.399 5.335 50 30 EKEARN CCCCCCCCOc1ccc(/C=C\C(=O)N2CCCCC2)cc1 ZINC000108337355 564028158 /nfs/dbraw/zinc/02/81/58/564028158.db2.gz UPTABKZGZAJUMV-SSZFMOIBSA-N 0 0 343.511 5.452 50 30 EKEARN CC(C)CCn1ccc2c1cccc2NC(=O)c1ccc(N=[N+]=[N-])nc1 ZINC000108515328 564028330 /nfs/dbraw/zinc/02/83/30/564028330.db2.gz YWGGSRORIKLFKA-UHFFFAOYSA-N 0 0 348.410 5.277 50 30 EKEARN CC(C)CCn1ccc2cc(NC(=O)c3ccnc(N=[N+]=[N-])c3)ccc21 ZINC000108517082 564028333 /nfs/dbraw/zinc/02/83/33/564028333.db2.gz AMKMIJBONVYDIG-UHFFFAOYSA-N 0 0 348.410 5.277 50 30 EKEARN CCCCCCCCCCCCc1ccc(S(=O)(=O)OC)cc1 ZINC000108623483 564087672 /nfs/dbraw/zinc/08/76/72/564087672.db2.gz UHTWOEBPFGWBTK-UHFFFAOYSA-N 0 0 340.529 5.485 50 30 EKEARN Cc1ccc(Cl)c(NC=CC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000108860365 564028535 /nfs/dbraw/zinc/02/85/35/564028535.db2.gz KWNDMPJWLRLUTH-SREVYHEPSA-N 0 0 340.637 5.764 50 30 EKEARN CC(N=Nc1ccccc1)=C(Cc1ccccc1)NNc1ccccc1 ZINC000108991081 564130123 /nfs/dbraw/zinc/13/01/23/564130123.db2.gz RDRVERKLPLIPSG-GVNZNIICSA-N 0 0 342.446 5.185 50 30 EKEARN CC(=O)C=C(C)Nc1ccc(-c2ccc(NC(C)=CC(C)=O)cc2)cc1 ZINC000109822042 219995505 /nfs/dbraw/zinc/99/55/05/219995505.db2.gz MOJSUVOVMBDNCO-VMNXYWKNSA-N 0 0 348.446 5.163 50 30 EKEARN CCCCCCCCCCCCCCCI ZINC000116000712 564130120 /nfs/dbraw/zinc/13/01/20/564130120.db2.gz HHXJMIXXUWDKIA-UHFFFAOYSA-N 0 0 338.317 6.513 50 30 EKEARN CC(=O)[C@@]1(C)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118917325 221203140 /nfs/dbraw/zinc/20/31/40/221203140.db2.gz NOSSBHBMUGGCBX-NUWWAVPKSA-N 0 0 342.523 5.360 50 30 EKEARN CC(=O)[C@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118917326 563992487 /nfs/dbraw/zinc/99/24/87/563992487.db2.gz NOSSBHBMUGGCBX-PKTXXXCRSA-N 0 0 342.523 5.360 50 30 EKEARN CC(=O)[C@]1(C)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118917327 221203281 /nfs/dbraw/zinc/20/32/81/221203281.db2.gz NOSSBHBMUGGCBX-JNJULNALSA-N 0 0 342.523 5.360 50 30 EKEARN C[C@H](/N=C/c1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000135959563 223616070 /nfs/dbraw/zinc/61/60/70/223616070.db2.gz IRTLACODQRXYTJ-MSGQQNDCSA-N 0 0 336.306 6.017 50 30 EKEARN C[C@@H](/N=C/c1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000135959618 563994417 /nfs/dbraw/zinc/99/44/17/563994417.db2.gz IRTLACODQRXYTJ-CKRKZCJXSA-N 0 0 336.306 6.017 50 30 EKEARN CC(C)[C@H]1CC[C@@H](C)/C(=C\C=C2/C(=O)[C@H](C(C)C)CC[C@H]2C)C1=O ZINC000136061446 564130131 /nfs/dbraw/zinc/13/01/31/564130131.db2.gz CDLMGTMYJCSWTE-YPOUYRJCSA-N 0 0 330.512 5.382 50 30 EKEARN CC(C)[C@H]1CC[C@@H](C)/C(=C\C=C2\C(=O)[C@H](C(C)C)CC[C@@H]2C)C1=O ZINC000136061519 564130129 /nfs/dbraw/zinc/13/01/29/564130129.db2.gz CDLMGTMYJCSWTE-GTADQSMVSA-N 0 0 330.512 5.382 50 30 EKEARN CCCCCCCCCCCCCCCN1C=CC(=CN=O)C=C1 ZINC000136294396 564125572 /nfs/dbraw/zinc/12/55/72/564125572.db2.gz AWLGOKIBNAOLEP-UHFFFAOYSA-N 0 0 332.532 7.071 50 30 EKEARN C=CCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(Cl)cc1 ZINC000136409745 564032851 /nfs/dbraw/zinc/03/28/51/564032851.db2.gz VXFRADRQJBODFH-UHFFFAOYSA-N 0 0 339.822 5.360 50 30 EKEARN O=C1/C(=C\C=C\c2ccccc2)CCC/C1=C/C=C/c1ccccc1 ZINC000139026330 564130144 /nfs/dbraw/zinc/13/01/44/564130144.db2.gz CTQRVSIAFMWYTR-QPDQIWNOSA-N 0 0 326.439 6.019 50 30 EKEARN Brc1c(/C=C\C#Cc2ccccc2)ccc2ccccc12 ZINC000169619070 564083991 /nfs/dbraw/zinc/08/39/91/564083991.db2.gz DMFHLOSQYRQVDY-XGICHPGQSA-N 0 0 333.228 5.667 50 30 EKEARN Cc1cc(NCc2ccc(-c3cc(C)cc(C)c3)cc2)nn1CCC#N ZINC000170593180 564108939 /nfs/dbraw/zinc/10/89/39/564108939.db2.gz JHAWSKIDZHCIOY-UHFFFAOYSA-N 0 0 344.462 5.001 50 30 EKEARN N#Cc1nc(-c2cccc3ccccc32)oc1NCCc1cccs1 ZINC000170623757 258071596 /nfs/dbraw/zinc/07/15/96/258071596.db2.gz FYTSFIJERNXCQG-UHFFFAOYSA-N 0 0 345.427 5.083 50 30 EKEARN N#Cc1nc(-c2ccccc2)oc1SCc1ccc(Cl)cc1 ZINC000170623811 564110476 /nfs/dbraw/zinc/11/04/76/564110476.db2.gz XHVVPWCAHYRVIH-UHFFFAOYSA-N 0 0 326.808 5.159 50 30 EKEARN C[C@H](Sc1nnc(NC2CCCCC2)s1)c1ccc(C#N)cc1 ZINC000170630793 564110617 /nfs/dbraw/zinc/11/06/17/564110617.db2.gz AFNXJWQZDWAGPQ-LBPRGKRZSA-N 0 0 344.509 5.008 50 30 EKEARN C[C@@H](Sc1nnc(NC2CCCCC2)s1)c1ccc(C#N)cc1 ZINC000170630795 564110612 /nfs/dbraw/zinc/11/06/12/564110612.db2.gz AFNXJWQZDWAGPQ-GFCCVEGCSA-N 0 0 344.509 5.008 50 30 EKEARN Cc1nc(S[C@@H](C)c2ccc(C#N)cc2)n(C2CCCCC2)c1C ZINC000170630801 564110610 /nfs/dbraw/zinc/11/06/10/564110610.db2.gz QCXCIUMRGWSREZ-INIZCTEOSA-N 0 0 339.508 5.730 50 30 EKEARN Cc1nc(S[C@H](C)c2ccc(C#N)cc2)n(C2CCCCC2)c1C ZINC000170630802 564110595 /nfs/dbraw/zinc/11/05/95/564110595.db2.gz QCXCIUMRGWSREZ-MRXNPFEDSA-N 0 0 339.508 5.730 50 30 EKEARN O=C1c2ccccc2SC1=C1Nc2cc(-c3ccccc3)ccc2O1 ZINC000200866911 241040262 /nfs/dbraw/zinc/04/02/62/241040262.db2.gz CHIYCJYQVIUXAZ-MRCUWXFGSA-N 0 0 343.407 5.316 50 30 EKEARN O=C1c2ccccc2[C@@H](c2ccccc2)/C1=C\c1ccc(Cl)cc1 ZINC000205729900 563973351 /nfs/dbraw/zinc/97/33/51/563973351.db2.gz LFFGGQKOJUQSOR-JCZXDDDQSA-N 0 0 330.814 5.752 50 30 EKEARN O=C1c2ccccc2[C@H](c2ccccc2)/C1=C\c1ccc(Cl)cc1 ZINC000205729920 563973329 /nfs/dbraw/zinc/97/33/29/563973329.db2.gz LFFGGQKOJUQSOR-UKQGIEBLSA-N 0 0 330.814 5.752 50 30 EKEARN O=C1C(=C2SCCCS2)CCCC/C1=C\C=C/c1ccccc1 ZINC000211022990 564053689 /nfs/dbraw/zinc/05/36/89/564053689.db2.gz CQHCJTWDIDVBER-LROUVQFUSA-N 0 0 342.529 5.851 50 30 EKEARN C=C(/C=C/C(=C\C)N1N=C(C)/C(=C/c2ccc(C)s2)C1=O)CC ZINC000211071049 563633020 /nfs/dbraw/zinc/63/30/20/563633020.db2.gz FIFKYYKEISZNMP-XGFQMKHZSA-N 0 0 326.465 5.084 50 30 EKEARN C=C(/C=C/C(=C/C)N1N=C(C)/C(=C/c2ccc(C)s2)C1=O)CC ZINC000211071110 563632917 /nfs/dbraw/zinc/63/29/17/563632917.db2.gz FIFKYYKEISZNMP-RRPXWXIUSA-N 0 0 326.465 5.084 50 30 EKEARN N#Cc1ccc(Oc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000213365802 564116172 /nfs/dbraw/zinc/11/61/72/564116172.db2.gz SSWNKZMRXGPGGI-UHFFFAOYSA-N 0 0 343.007 5.420 50 30 EKEARN O=C1/C(=C/c2ccccc2)CC[C@H]2[C@H]3CCc4ccccc4[C@H]3CC[C@H]12 ZINC000216173488 241170352 /nfs/dbraw/zinc/17/03/52/241170352.db2.gz DIYWYRFFWACTFY-CPZGSNJTSA-N 0 0 342.482 5.805 50 30 EKEARN N#Cc1ccc(CSc2ncc(C(F)(F)F)cc2Cl)c(F)c1 ZINC000217459968 564157357 /nfs/dbraw/zinc/15/73/57/564157357.db2.gz PMJUYOBVSUSUOB-UHFFFAOYSA-N 0 0 346.736 5.057 50 30 EKEARN N#Cc1ccc(F)c(CSc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000217460076 564157358 /nfs/dbraw/zinc/15/73/58/564157358.db2.gz XAPNFOFHAJBPDF-UHFFFAOYSA-N 0 0 346.736 5.057 50 30 EKEARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1cccnc1 ZINC000221569665 564036266 /nfs/dbraw/zinc/03/62/66/564036266.db2.gz ISLVTSDCHJJRDF-RUDMXATFSA-N 0 0 340.835 5.063 50 30 EKEARN Cc1ccc2cc(/C=C\C(=O)c3cccc(F)c3)c(Cl)nc2c1 ZINC000222008948 241486868 /nfs/dbraw/zinc/48/68/68/241486868.db2.gz DSZACVRPOFADKZ-FPLPWBNLSA-N 0 0 325.770 5.232 50 30 EKEARN COc1cccc(C(=O)/C=C\c2cc3ccc(C)cc3nc2Cl)c1 ZINC000222009075 241487287 /nfs/dbraw/zinc/48/72/87/241487287.db2.gz IWBNZLBVTKPUJX-HJWRWDBZSA-N 0 0 337.806 5.101 50 30 EKEARN Cc1cc(C(=O)/C=C\c2ccccc2OCc2cccnc2)c(C)s1 ZINC000222099601 257840731 /nfs/dbraw/zinc/84/07/31/257840731.db2.gz LBUMWIAEYPNJLJ-KTKRTIGZSA-N 0 0 349.455 5.235 50 30 EKEARN C=CCC[C@H](Nc1cccc(OCc2cscn2)c1)c1ccco1 ZINC000225635503 518721273 /nfs/dbraw/zinc/72/12/73/518721273.db2.gz XZFCAMFYUJRQQX-SFHVURJKSA-N 0 0 340.448 5.435 50 30 EKEARN C=CCC[C@@H](Nc1cccc(OCc2cscn2)c1)c1ccco1 ZINC000225635532 563995950 /nfs/dbraw/zinc/99/59/50/563995950.db2.gz XZFCAMFYUJRQQX-GOSISDBHSA-N 0 0 340.448 5.435 50 30 EKEARN N#Cc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 ZINC000226838153 564153268 /nfs/dbraw/zinc/15/32/68/564153268.db2.gz AKZIBHBZJUMNBD-PJFSTRORSA-N 0 0 341.241 5.692 50 30 EKEARN CC(=O)/C=C/c1ccc2c(c1)[C@@H](C)CC(C)(C)N2Cc1ccccc1 ZINC000226854960 242117159 /nfs/dbraw/zinc/11/71/59/242117159.db2.gz DXCDDBFPLAKEDB-DVQDXYAYSA-N 0 0 333.475 5.581 50 30 EKEARN CC(=O)/C=C/c1ccc2c(c1)[C@H](C)CC(C)(C)N2Cc1ccccc1 ZINC000226854967 242118334 /nfs/dbraw/zinc/11/83/34/242118334.db2.gz DXCDDBFPLAKEDB-SXSDINLZSA-N 0 0 333.475 5.581 50 30 EKEARN CCC[C@@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccc(F)cc1 ZINC000227155053 242123633 /nfs/dbraw/zinc/12/36/33/242123633.db2.gz YBKYBJQJMIADHD-KRWDZBQOSA-N 0 0 349.409 5.348 50 30 EKEARN CCC[C@H](CNc1oc(-c2ccccc2)nc1C#N)c1ccc(F)cc1 ZINC000227155057 242123623 /nfs/dbraw/zinc/12/36/23/242123623.db2.gz YBKYBJQJMIADHD-QGZVFWFLSA-N 0 0 349.409 5.348 50 30 EKEARN Cc1ccc(CSc2oc(-c3ccc(Cl)cc3)nc2C#N)cc1 ZINC000227155120 242124112 /nfs/dbraw/zinc/12/41/12/242124112.db2.gz NHRBKOCSZKBNEG-UHFFFAOYSA-N 0 0 340.835 5.467 50 30 EKEARN N#Cc1nc(-c2ccc(Cl)cc2)oc1SCc1ccc(F)cc1 ZINC000227155129 242123763 /nfs/dbraw/zinc/12/37/63/242123763.db2.gz SOJGYUAHMKGPNJ-UHFFFAOYSA-N 0 0 344.798 5.298 50 30 EKEARN N#Cc1nc(-c2ccc(Cl)cc2)oc1SCc1ccccc1F ZINC000227155136 242122641 /nfs/dbraw/zinc/12/26/41/242122641.db2.gz OODCVAOJMYJNFM-UHFFFAOYSA-N 0 0 344.798 5.298 50 30 EKEARN Cc1ccccc1CSc1oc(-c2ccc(Cl)cc2)nc1C#N ZINC000227155144 242122835 /nfs/dbraw/zinc/12/28/35/242122835.db2.gz PEGSAQCMNXBXFE-UHFFFAOYSA-N 0 0 340.835 5.467 50 30 EKEARN C=C[C@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1O[C@]2(C)CCC=C(C)C ZINC000229937790 206332503 /nfs/dbraw/zinc/33/25/03/206332503.db2.gz LXELBISQABCQRG-FVTFTPSCSA-N 0 0 326.480 5.997 50 30 EKEARN CCn1c(Cl)c(C(=O)/C=C\c2ccc(C#N)cc2)c2ccccc21 ZINC000230198832 564155083 /nfs/dbraw/zinc/15/50/83/564155083.db2.gz UUNYAIGEPIMTPM-QXMHVHEDSA-N 0 0 334.806 5.082 50 30 EKEARN C=C(/C=C/C(=C\C)N1N=C(C)/C(=C\c2ccc(C)s2)C1=O)CC ZINC000230242661 564155251 /nfs/dbraw/zinc/15/52/51/564155251.db2.gz FIFKYYKEISZNMP-DQFDVEAVSA-N 0 0 326.465 5.084 50 30 EKEARN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\C[C@H](OC)OC1=O ZINC000238769741 563970960 /nfs/dbraw/zinc/97/09/60/563970960.db2.gz AXVHMYNDGVQIQD-VPDOHAQZSA-N 0 0 332.484 5.021 50 30 EKEARN CC(=O)[C@]1(C)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000242575015 564131874 /nfs/dbraw/zinc/13/18/74/564131874.db2.gz NOSSBHBMUGGCBX-UCQOEYEHSA-N 0 0 342.523 5.360 50 30 EKEARN CC(=O)[C@]1(C)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000242575016 564131889 /nfs/dbraw/zinc/13/18/89/564131889.db2.gz NOSSBHBMUGGCBX-UTISYCDMSA-N 0 0 342.523 5.360 50 30 EKEARN CCC[C@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC000242728149 243020947 /nfs/dbraw/zinc/02/09/47/243020947.db2.gz YVEDSNAPDAXLDD-CYWCHRQTSA-N 0 0 347.458 5.737 50 30 EKEARN CCC[C@H]1CC[C@H](c2ccc(C#Cc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000245189310 564131919 /nfs/dbraw/zinc/13/19/19/564131919.db2.gz QIIFDEDLUFVBCI-XGAFWQRZSA-N 0 0 345.461 6.171 50 30 EKEARN CCC[C@H]1CC[C@H](c2ccc(C#Cc3ccc(CC)cc3)cc2)CC1 ZINC000245189334 564131934 /nfs/dbraw/zinc/13/19/34/564131934.db2.gz VWBHMDVHVYVIAR-SAIGFBBZSA-N 0 0 330.515 6.723 50 30 EKEARN COc1c(Cl)cc(Cl)cc1C=Nc1sc(C)c(C)c1C#N ZINC000245228648 564168792 /nfs/dbraw/zinc/16/87/92/564168792.db2.gz AQCYDHJHQGRGQX-UHFFFAOYSA-N 0 0 339.247 5.303 50 30 EKEARN N#Cc1c2c(sc1N=Cc1c(Cl)cccc1Cl)CCCC2 ZINC000245229141 564168768 /nfs/dbraw/zinc/16/87/68/564168768.db2.gz OHBRFMPVTIBIJY-UHFFFAOYSA-N 0 0 335.259 5.556 50 30 EKEARN N#Cc1c2c(sc1N=Cc1cccc(Br)c1)CCCC2 ZINC000245229317 564168775 /nfs/dbraw/zinc/16/87/75/564168775.db2.gz UEMKXMIZTLGMCW-UHFFFAOYSA-N 0 0 345.265 5.012 50 30 EKEARN Brc1cccc2c(C=NNc3ccccc3)cccc12 ZINC000245238907 258072988 /nfs/dbraw/zinc/07/29/88/258072988.db2.gz CKTPAHXEVYCZCQ-UHFFFAOYSA-N 0 0 325.209 5.048 50 30 EKEARN CCOC=Nc1c(C#N)c(-c2ccccc2)cn1-c1ccc(Cl)cc1 ZINC000245240916 258073057 /nfs/dbraw/zinc/07/30/57/258073057.db2.gz VCDXVPHQCNBRQN-UHFFFAOYSA-N 0 0 349.821 5.366 50 30 EKEARN CCOC=Nc1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccccc1 ZINC000245240990 564131950 /nfs/dbraw/zinc/13/19/50/564131950.db2.gz WCZDAVCCBYZRSX-UHFFFAOYSA-N 0 0 349.821 5.366 50 30 EKEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)C#CCl ZINC000245241016 564131945 /nfs/dbraw/zinc/13/19/45/564131945.db2.gz WJYFACPYOCRQPX-LTGKAUERSA-N 0 0 334.931 5.350 50 30 EKEARN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1CC[C@@]2(O)C#CCl ZINC000245241017 564131949 /nfs/dbraw/zinc/13/19/49/564131949.db2.gz WJYFACPYOCRQPX-WMKCGOMXSA-N 0 0 334.931 5.350 50 30 EKEARN CC(CC/C=C(/C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]21C)=NO ZINC000245284647 564168946 /nfs/dbraw/zinc/16/89/46/564168946.db2.gz SUIVXLJKUVOXKD-GEBUHUITSA-N 0 0 345.571 7.142 50 30 EKEARN CC(CC/C=C(/C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]21C)=NO ZINC000245284648 564168945 /nfs/dbraw/zinc/16/89/45/564168945.db2.gz SUIVXLJKUVOXKD-UCFOACSSSA-N 0 0 345.571 7.142 50 30 EKEARN CC(CC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]21C)=NO ZINC000245284649 564168940 /nfs/dbraw/zinc/16/89/40/564168940.db2.gz SUIVXLJKUVOXKD-XUPVHYJLSA-N 0 0 345.571 7.142 50 30 EKEARN CC(CC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]21C)=NO ZINC000245284650 564168981 /nfs/dbraw/zinc/16/89/81/564168981.db2.gz SUIVXLJKUVOXKD-YBFAVLCDSA-N 0 0 345.571 7.142 50 30 EKEARN CCc1ccc(/C=C2\C[C@H](C)C/C(=C/c3ccc(CC)cc3)C2=O)cc1 ZINC000245294857 564169018 /nfs/dbraw/zinc/16/90/18/564169018.db2.gz BMTAXFMUJIGBCJ-DZBUWPPYSA-N 0 0 344.498 6.277 50 30 EKEARN CCc1ccc(/C=C2\C[C@@H](C)C/C(=C/c3ccc(CC)cc3)C2=O)cc1 ZINC000245294859 564169001 /nfs/dbraw/zinc/16/90/01/564169001.db2.gz BMTAXFMUJIGBCJ-LGIZHNRRSA-N 0 0 344.498 6.277 50 30 EKEARN Cc1ccc(/C=C2\C[C@@H](C(C)(C)C)C/C(=C/c3ccc(C)o3)C2=O)o1 ZINC000245296200 564168992 /nfs/dbraw/zinc/16/89/92/564168992.db2.gz LGDYAHOIUIZXTN-BLWJSAGHSA-N 0 0 338.447 5.982 50 30 EKEARN Cc1ccc(/C=C2\C[C@H](C(C)(C)C)C/C(=C/c3ccc(C)o3)C2=O)o1 ZINC000245296203 564169017 /nfs/dbraw/zinc/16/90/17/564169017.db2.gz LGDYAHOIUIZXTN-XVDUVKNNSA-N 0 0 338.447 5.982 50 30 EKEARN CC[C@H]1C/C(=C\c2ccccc2C)C(=O)/C(=C\c2ccccc2C)C1 ZINC000245312629 564169043 /nfs/dbraw/zinc/16/90/43/564169043.db2.gz WPMSBNZGSJGPDT-UEHLSSPHSA-N 0 0 330.471 6.160 50 30 EKEARN CC[C@@H]1C/C(=C\c2ccccc2C)C(=O)/C(=C\c2ccccc2C)C1 ZINC000245312630 564169034 /nfs/dbraw/zinc/16/90/34/564169034.db2.gz WPMSBNZGSJGPDT-YNBPOPDKSA-N 0 0 330.471 6.160 50 30 EKEARN Cc1ccc(-n2c(C#N)c(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000248086192 563995150 /nfs/dbraw/zinc/99/51/50/563995150.db2.gz FLBTXUAXQMRVSF-UHFFFAOYSA-N 0 0 334.422 5.991 50 30 EKEARN N#Cc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 ZINC000249934177 564111750 /nfs/dbraw/zinc/11/17/50/564111750.db2.gz AKZIBHBZJUMNBD-UHYGZKCKSA-N 0 0 341.241 5.692 50 30 EKEARN O=[N+]([O-])c1cccc(C=NNc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000250062260 564111790 /nfs/dbraw/zinc/11/17/90/564111790.db2.gz UFXVZXGQTWHRLS-UHFFFAOYSA-N 0 0 344.585 5.001 50 30 EKEARN CC(C)(C)[C@H]1C/C(=C\c2ccsc2)C(=O)/C(=C\c2ccsc2)C1 ZINC000250685025 564112118 /nfs/dbraw/zinc/11/21/18/564112118.db2.gz GJVXSBSOUUSUPB-WKHFLNHXSA-N 0 0 342.529 6.302 50 30 EKEARN CC(C)(C)[C@@H]1C/C(=C\c2ccsc2)C(=O)/C(=C\c2ccsc2)C1 ZINC000250685029 564112123 /nfs/dbraw/zinc/11/21/23/564112123.db2.gz GJVXSBSOUUSUPB-XITMRUMQSA-N 0 0 342.529 6.302 50 30 EKEARN CC[C@H]1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C\c2ccc(F)cc2)C1 ZINC000251775754 564112763 /nfs/dbraw/zinc/11/27/63/564112763.db2.gz WKBRFKHINUTDLE-IPARKIBGSA-N 0 0 338.397 5.821 50 30 EKEARN CC[C@@H]1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C\c2ccc(F)cc2)C1 ZINC000251775838 564112757 /nfs/dbraw/zinc/11/27/57/564112757.db2.gz WKBRFKHINUTDLE-YGZAECRISA-N 0 0 338.397 5.821 50 30 EKEARN COc1ccccc1/C=C1\C[C@H](C)C/C(=C/c2ccccc2OC)C1=O ZINC000252383362 524321650 /nfs/dbraw/zinc/32/16/50/524321650.db2.gz NQYKRTOCIWKIQP-BGVDWQIYSA-N 0 0 348.442 5.170 50 30 EKEARN COc1ccccc1/C=C1\C[C@@H](C)C/C(=C/c2ccccc2OC)C1=O ZINC000252383363 564118358 /nfs/dbraw/zinc/11/83/58/564118358.db2.gz NQYKRTOCIWKIQP-GUADBCJISA-N 0 0 348.442 5.170 50 30 EKEARN CCN(CC)c1ccc(N=Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000252428512 201184285 /nfs/dbraw/zinc/18/42/85/201184285.db2.gz IVFJVLJRIJBNGP-UHFFFAOYSA-N 0 0 346.356 5.839 50 30 EKEARN C=CCc1c(C)nc(-c2ccccc2)nc1N=NC(C)c1ccccc1 ZINC000252438213 564118409 /nfs/dbraw/zinc/11/84/09/564118409.db2.gz CWZHXNXJIFCDGG-UHFFFAOYSA-N 0 0 342.446 5.017 50 30 EKEARN N#Cc1c2c(sc1N=Cc1ccc(Br)cc1)CCCC2 ZINC000252452771 564118528 /nfs/dbraw/zinc/11/85/28/564118528.db2.gz BCISGWNGZNMZBV-UHFFFAOYSA-N 0 0 345.265 5.012 50 30 EKEARN Clc1ccc(N=Cc2ccc(Br)s2)cc1Cl ZINC000252459921 564118602 /nfs/dbraw/zinc/11/86/02/564118602.db2.gz AFUXGJUOZQVHLB-UHFFFAOYSA-N 0 0 335.053 5.568 50 30 EKEARN CC1(C)[C@H]2CC[C@]1(C)C(=NOC(=O)c1ccc(-c3ccccc3)cc1)C2 ZINC000252459974 564118662 /nfs/dbraw/zinc/11/86/62/564118662.db2.gz AOWSCJKKFKCUOW-WMZHIEFXSA-N 0 0 347.458 5.713 50 30 EKEARN COc1ccccc1C=Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000252460011 564118665 /nfs/dbraw/zinc/11/86/65/564118665.db2.gz AWHXSLWFMCOCEA-UHFFFAOYSA-N 0 0 328.371 5.254 50 30 EKEARN CCn1c2ccccc2c2cc(C=Nc3ccc(C)c(F)c3)ccc21 ZINC000252460245 564118656 /nfs/dbraw/zinc/11/86/56/564118656.db2.gz CWEWVLSYVACYHL-UHFFFAOYSA-N 0 0 330.406 6.013 50 30 EKEARN CCN(CC)c1ccc(N=Cc2c(OC)ccc3ccccc32)cc1 ZINC000252460265 564118640 /nfs/dbraw/zinc/11/86/40/564118640.db2.gz CYYZCUSPPVOCPQ-UHFFFAOYSA-N 0 0 332.447 5.445 50 30 EKEARN COc1ccccc1C=Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000252460294 564118655 /nfs/dbraw/zinc/11/86/55/564118655.db2.gz DDEREMQBVQSJCO-UHFFFAOYSA-N 0 0 328.371 5.254 50 30 EKEARN CCN(CC)c1ccc(C=Nc2ccc(Cl)cc2Cl)c(O)c1 ZINC000252460312 564118657 /nfs/dbraw/zinc/11/86/57/564118657.db2.gz DINAEJLFKBMADM-UHFFFAOYSA-N 0 0 337.250 5.296 50 30 EKEARN CC(/C=C\c1ccccc1)=NOC(=O)c1ccc(Cl)cc1Cl ZINC000252460375 564133757 /nfs/dbraw/zinc/13/37/57/564133757.db2.gz DXKCUSNXWLTQSZ-FBSISJEISA-N 0 0 334.202 5.240 50 30 EKEARN CC(/C=C/c1ccccc1)=NOC(=O)c1ccc(Cl)cc1Cl ZINC000252460376 564118610 /nfs/dbraw/zinc/11/86/10/564118610.db2.gz DXKCUSNXWLTQSZ-ZELPNXDESA-N 0 0 334.202 5.240 50 30 EKEARN CCN(CC)c1ccc(N=Cc2ccc(OC)c3ccccc23)cc1 ZINC000252460419 564118647 /nfs/dbraw/zinc/11/86/47/564118647.db2.gz FERWFNBNPUBDJL-UHFFFAOYSA-N 0 0 332.447 5.445 50 30 EKEARN CCOc1ccc(C=Nc2ccc(Br)c(Cl)c2)cc1 ZINC000252460554 564118642 /nfs/dbraw/zinc/11/86/42/564118642.db2.gz GFYWRJXJLZCAEN-UHFFFAOYSA-N 0 0 338.632 5.252 50 30 EKEARN CCN(CC)c1ccc(C=Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000252460564 564118661 /nfs/dbraw/zinc/11/86/61/564118661.db2.gz GIGXGRPUVWFEGL-UHFFFAOYSA-N 0 0 336.357 5.182 50 30 EKEARN CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000252460569 564118644 /nfs/dbraw/zinc/11/86/44/564118644.db2.gz GKFQJEKJOVJPNX-UHFFFAOYSA-N 0 0 331.375 5.098 50 30 EKEARN FC(F)(F)c1ccccc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000252460694 564118669 /nfs/dbraw/zinc/11/86/69/564118669.db2.gz HLLIJGAEGDAOMP-UHFFFAOYSA-N 0 0 347.365 5.275 50 30 EKEARN O=[N+]([O-])c1cc(N=Cc2ccc(Cl)cc2Cl)ccc1Cl ZINC000252460766 564118695 /nfs/dbraw/zinc/11/86/95/564118695.db2.gz HZXGKASMYDKIBD-UHFFFAOYSA-N 0 0 329.570 5.306 50 30 EKEARN FC(F)(F)Oc1ccc(N=Cc2cccc(Cl)c2Cl)cc1 ZINC000252460813 564118701 /nfs/dbraw/zinc/11/87/01/564118701.db2.gz IJQAVDJNEXLVSV-UHFFFAOYSA-N 0 0 334.124 5.643 50 30 EKEARN CCN(CC)c1ccc(C=Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000252460896 564118703 /nfs/dbraw/zinc/11/87/03/564118703.db2.gz IYBXBQUJOXGFQL-UHFFFAOYSA-N 0 0 343.474 6.027 50 30 EKEARN COc1ccc(C=Nc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000252460975 564118697 /nfs/dbraw/zinc/11/86/97/564118697.db2.gz JPHAMGSWEIQBBE-UHFFFAOYSA-N 0 0 330.214 5.906 50 30 EKEARN Clc1cccc(C=Nc2ccc(Nc3ccccc3)cc2)c1Cl ZINC000252461116 564118686 /nfs/dbraw/zinc/11/86/86/564118686.db2.gz KQKKSZFTZRBKLN-UHFFFAOYSA-N 0 0 341.241 6.488 50 30 EKEARN Cc1ccc(-c2csc(N=NCc3ccc(Cl)cc3)n2)cc1 ZINC000252461122 564118683 /nfs/dbraw/zinc/11/86/83/564118683.db2.gz KRUKYIHWTPHPFM-UHFFFAOYSA-N 0 0 327.840 5.218 50 30 EKEARN CCOc1ccc(N=Cc2ccc3c(c2)c2ccccc2n3CC)cc1 ZINC000252461130 564118687 /nfs/dbraw/zinc/11/86/87/564118687.db2.gz KVQQCVMZEXAZNH-UHFFFAOYSA-N 0 0 342.442 5.964 50 30 EKEARN CCn1c2ccccc2c2cc(C=Nc3ccc(C)cc3O)ccc21 ZINC000252461209 564118672 /nfs/dbraw/zinc/11/86/72/564118672.db2.gz LGWKLQKBJPMCFL-UHFFFAOYSA-N 0 0 328.415 5.579 50 30 EKEARN CCn1c2ccccc2c2cc(C=Nc3cc(C)cc(C)c3)ccc21 ZINC000252461229 564118698 /nfs/dbraw/zinc/11/86/98/564118698.db2.gz LLSQTEWQQUOYDM-UHFFFAOYSA-N 0 0 326.443 6.182 50 30 EKEARN FC(F)(F)Oc1ccc(N=Cc2ccc(Cl)cc2Cl)cc1 ZINC000252461469 564118729 /nfs/dbraw/zinc/11/87/29/564118729.db2.gz MRTXIDMUDRIKFK-UHFFFAOYSA-N 0 0 334.124 5.643 50 30 EKEARN Cc1ccc(N=Cc2ccc(C=Nc3ccc(C)c(F)c3)cc2)cc1F ZINC000252461608 564118726 /nfs/dbraw/zinc/11/87/26/564118726.db2.gz MZTOBIGAEJNZRK-UHFFFAOYSA-N 0 0 348.396 6.083 50 30 EKEARN O=C(Nc1ccccc1)c1ccccc1N=Cc1ccc(Cl)cc1 ZINC000252461695 564118709 /nfs/dbraw/zinc/11/87/09/564118709.db2.gz NLSCTDHBTGEIAR-UHFFFAOYSA-N 0 0 334.806 5.343 50 30 EKEARN Cc1cc(C)c(C=Nc2ccccc2C(=O)Nc2ccccc2)c(C)c1 ZINC000252461879 564118707 /nfs/dbraw/zinc/11/87/07/564118707.db2.gz NVEFPYGPEHQCHF-UHFFFAOYSA-N 0 0 342.442 5.615 50 30 EKEARN CCOc1ccccc1C=Nc1ccccc1C(=O)Nc1ccccc1 ZINC000252461890 564118733 /nfs/dbraw/zinc/11/87/33/564118733.db2.gz NWVFFHZQABIZMB-UHFFFAOYSA-N 0 0 344.414 5.088 50 30 EKEARN C=CCOc1ccccc1CN=Nc1nc(-c2ccccc2)c(C)s1 ZINC000252461976 564118735 /nfs/dbraw/zinc/11/87/35/564118735.db2.gz OVHRUOGVDAYSLN-UHFFFAOYSA-N 0 0 349.459 5.129 50 30 EKEARN CCN(CC)c1ccc(C=Nc2cc(Cl)cc(Cl)c2)c(O)c1 ZINC000252462049 564118731 /nfs/dbraw/zinc/11/87/31/564118731.db2.gz PJVTUIAGJDHTGW-UHFFFAOYSA-N 0 0 337.250 5.296 50 30 EKEARN O=[N+]([O-])c1cc(C=Nc2ccc(Cl)cc2Cl)ccc1Cl ZINC000252462100 564118751 /nfs/dbraw/zinc/11/87/51/564118751.db2.gz PSBPITXGLCWXEN-UHFFFAOYSA-N 0 0 329.570 5.306 50 30 EKEARN CCOc1ccc(C=Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 ZINC000252462115 564118748 /nfs/dbraw/zinc/11/87/48/564118748.db2.gz PWFDZLHOGRCMTG-UHFFFAOYSA-N 0 0 342.398 5.644 50 30 EKEARN CC(=NOC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C)cc1 ZINC000252462262 564118753 /nfs/dbraw/zinc/11/87/53/564118753.db2.gz RCGZSPZBCWVNQC-UHFFFAOYSA-N 0 0 329.399 5.243 50 30 EKEARN CC1(C)[C@H]2CC[C@]1(C)C(=NOC(=O)c1ccc(Cl)cc1Cl)C2 ZINC000252462272 564118738 /nfs/dbraw/zinc/11/87/38/564118738.db2.gz REBJMFRQDKSDHF-DYZYQPBXSA-N 0 0 340.250 5.352 50 30 EKEARN Oc1ccc(Br)cc1C=Nc1cc(Cl)cc(Cl)c1 ZINC000252462567 564118760 /nfs/dbraw/zinc/11/87/60/564118760.db2.gz UHGJKERLQDVILY-UHFFFAOYSA-N 0 0 345.023 5.212 50 30 EKEARN Cc1cc(C)cc(N=Cc2ccc(C=Nc3cc(C)cc(C)c3)cc2)c1 ZINC000252462741 564118758 /nfs/dbraw/zinc/11/87/58/564118758.db2.gz VVEYLYLOEXZSFK-UHFFFAOYSA-N 0 0 340.470 6.421 50 30 EKEARN C(=Nc1cccc2c(N=Cc3cccs3)cccc12)c1cccs1 ZINC000252462790 564118789 /nfs/dbraw/zinc/11/87/89/564118789.db2.gz WHOFHRYOTYNCSS-UHFFFAOYSA-N 0 0 346.480 6.464 50 30 EKEARN CCN(CC)c1ccc(N=Cc2ccc(Br)s2)cc1 ZINC000252462793 564118790 /nfs/dbraw/zinc/11/87/90/564118790.db2.gz WIMRIXPNKTXCQC-UHFFFAOYSA-N 0 0 337.286 5.107 50 30 EKEARN O=C(Nc1ccccc1)c1ccccc1N=Cc1cccc(Cl)c1 ZINC000252462860 564118786 /nfs/dbraw/zinc/11/87/86/564118786.db2.gz WVFBRADPHIIHMQ-UHFFFAOYSA-N 0 0 334.806 5.343 50 30 EKEARN Cc1ccc(C=Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000252462868 564118776 /nfs/dbraw/zinc/11/87/76/564118776.db2.gz WXZJJZACPKMKAP-UHFFFAOYSA-N 0 0 342.467 6.331 50 30 EKEARN CC(C)c1ccc(C=Nc2ccc(I)cc2)cc1 ZINC000252462975 564118780 /nfs/dbraw/zinc/11/87/80/564118780.db2.gz XXDYEMYMQRICOJ-UHFFFAOYSA-N 0 0 349.215 5.165 50 30 EKEARN CCn1c2ccccc2c2cc(C=Nc3cc(C)ccc3C)ccc21 ZINC000252463064 564118782 /nfs/dbraw/zinc/11/87/82/564118782.db2.gz YOHFHANGVKMRPL-UHFFFAOYSA-N 0 0 326.443 6.182 50 30 EKEARN Clc1ccc(C=Nc2ccc(Oc3ccccc3)cc2)c(Cl)c1 ZINC000252463236 564118773 /nfs/dbraw/zinc/11/87/73/564118773.db2.gz ZXSBQDVGNPRYKB-UHFFFAOYSA-N 0 0 342.225 6.536 50 30 EKEARN CC1(C)[C@H]2CC[C@]1(C)C(N=Nc1nc(-c3cccs3)cs1)C2 ZINC000252477450 564119063 /nfs/dbraw/zinc/11/90/63/564119063.db2.gz ODZLJGDWICDQIS-APPDUMDISA-N 0 0 331.510 5.486 50 30 EKEARN N#Cc1nc(-c2cccc3ccccc32)oc1Sc1ccccc1 ZINC000252499586 564119848 /nfs/dbraw/zinc/11/98/48/564119848.db2.gz SBTVGMOCJOGVQT-UHFFFAOYSA-N 0 0 328.396 5.518 50 30 EKEARN CC(C)(C)c1cc(N=Cc2ccc(O)cc2)c(O)c(C(C)(C)C)c1 ZINC000252588839 564120849 /nfs/dbraw/zinc/12/08/49/564120849.db2.gz AEWSVRCSLKOPOV-UHFFFAOYSA-N 0 0 325.452 5.443 50 30 EKEARN COc1ccc(C=Nc2ccc(C(=O)Nc3ccccc3C)cc2)cc1 ZINC000252588894 564120855 /nfs/dbraw/zinc/12/08/55/564120855.db2.gz AFOXSLGUBQQGQY-UHFFFAOYSA-N 0 0 344.414 5.007 50 30 EKEARN COc1ccccc1N=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000252589824 564120858 /nfs/dbraw/zinc/12/08/58/564120858.db2.gz ANMZUAWBOLNVOO-UHFFFAOYSA-N 0 0 339.479 5.746 50 30 EKEARN CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc2c(c1)CCC2 ZINC000252590829 564120947 /nfs/dbraw/zinc/12/09/47/564120947.db2.gz AVOWKNSWYWSXLD-UHFFFAOYSA-N 0 0 333.460 5.135 50 30 EKEARN CC(=NOC(=O)c1sc2ccccc2c1Cl)c1ccc(F)cc1 ZINC000252593076 564121022 /nfs/dbraw/zinc/12/10/22/564121022.db2.gz BIXBQIQUTLDCRC-UHFFFAOYSA-N 0 0 347.798 5.275 50 30 EKEARN Oc1ccc(Cl)cc1C=Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000252593685 564121059 /nfs/dbraw/zinc/12/10/59/564121059.db2.gz BLVXCLRETJEBAB-UHFFFAOYSA-N 0 0 348.789 5.604 50 30 EKEARN CC(Cc1ccccc1)N=Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC000252593866 564121055 /nfs/dbraw/zinc/12/10/55/564121055.db2.gz BNOPCGBTASFHIV-UHFFFAOYSA-N 0 0 346.459 5.322 50 30 EKEARN CC(=Nc1cccc2ccccc21)C(C)=Nc1cccc2ccccc21 ZINC000252593990 564121080 /nfs/dbraw/zinc/12/10/80/564121080.db2.gz BOBLHEBXJSYADL-UHFFFAOYSA-N 0 0 336.438 6.878 50 30 EKEARN Cc1cc(N=C2CCCN2c2cccc(Cl)c2)c2ccccc2n1 ZINC000252594036 564121077 /nfs/dbraw/zinc/12/10/77/564121077.db2.gz BORYWMHAUCEUEO-UHFFFAOYSA-N 0 0 335.838 5.527 50 30 EKEARN Cc1ccc(C=Nc2ccc(-c3nc4ccccc4s3)cc2)s1 ZINC000252594185 564121074 /nfs/dbraw/zinc/12/10/74/564121074.db2.gz BQGJOGDHCNYPGS-UHFFFAOYSA-N 0 0 334.469 6.084 50 30 EKEARN CC(CC(C)=Nc1c(C)cc(C)cc1C)=Nc1c(C)cc(C)cc1C ZINC000252594306 564121085 /nfs/dbraw/zinc/12/10/85/564121085.db2.gz BQPOGAGYMSGBNZ-UHFFFAOYSA-N 0 0 334.507 6.812 50 30 EKEARN N#C[C@@H]1[C@H](c2ccccc2)N(c2ccccc2)[C@@H]2c3ccccc3C=CN21 ZINC000252594342 564121069 /nfs/dbraw/zinc/12/10/69/564121069.db2.gz BRMYSWUSLDHPFT-TZRRMPRUSA-N 0 0 349.437 5.125 50 30 EKEARN N#C[C@@H]1[C@@H](c2ccccc2)N(c2ccccc2)[C@@H]2c3ccccc3C=CN21 ZINC000252594343 564121066 /nfs/dbraw/zinc/12/10/66/564121066.db2.gz BRMYSWUSLDHPFT-WXFUMESZSA-N 0 0 349.437 5.125 50 30 EKEARN CCOc1ccc(N=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000252595082 564121119 /nfs/dbraw/zinc/12/11/19/564121119.db2.gz BYPDOXLWJSOBLU-UHFFFAOYSA-N 0 0 325.795 5.749 50 30 EKEARN FC(F)(F)c1ccccc1N=Cc1ccccc1Br ZINC000252595546 564121108 /nfs/dbraw/zinc/12/11/08/564121108.db2.gz CBXGUQKPYXSOJC-UHFFFAOYSA-N 0 0 328.131 5.219 50 30 EKEARN Cc1ccc(N=Cc2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c(C)c1 ZINC000252595857 564121098 /nfs/dbraw/zinc/12/10/98/564121098.db2.gz CEKHTIJKKOHJEH-UHFFFAOYSA-N 0 0 334.375 5.531 50 30 EKEARN Cc1ccc(-c2csc(N=NC(C)c3ccc4c(c3)CCC4)n2)cc1 ZINC000252596307 564121118 /nfs/dbraw/zinc/12/11/18/564121118.db2.gz CIEQTVXCUXGIQZ-UHFFFAOYSA-N 0 0 347.487 5.443 50 30 EKEARN Cc1ccc(-c2nc3cc(N=Cc4ccccc4O)ccc3o2)c(C)c1 ZINC000252597508 564121114 /nfs/dbraw/zinc/12/11/14/564121114.db2.gz CROPTNVAXLPJHP-UHFFFAOYSA-N 0 0 342.398 5.568 50 30 EKEARN Cc1nn(-c2ccccc2)c(C)c1N=Cc1c(O)ccc2ccccc21 ZINC000252597720 564121145 /nfs/dbraw/zinc/12/11/45/564121145.db2.gz CUFROPAPALHYCN-UHFFFAOYSA-N 0 0 341.414 5.099 50 30 EKEARN CC(=NOC(=O)c1ccc(OC(C)C)cc1)c1ccc(C(C)C)cc1 ZINC000252597951 564121132 /nfs/dbraw/zinc/12/11/32/564121132.db2.gz CWPLDPOPNNGARQ-UHFFFAOYSA-N 0 0 339.435 5.178 50 30 EKEARN COc1ccc2ccccc2c1C=Nc1sc2c(c1C#N)CCCC2 ZINC000252601192 564121177 /nfs/dbraw/zinc/12/11/77/564121177.db2.gz DXPDNYQVXBVRDP-UHFFFAOYSA-N 0 0 346.455 5.411 50 30 EKEARN Cc1ccc2oc(-c3cccc(N=Cc4ccccc4O)c3)nc2c1 ZINC000252601906 564121169 /nfs/dbraw/zinc/12/11/69/564121169.db2.gz FDQQYKWULSCDCV-UHFFFAOYSA-N 0 0 328.371 5.259 50 30 EKEARN CCOc1ccc(N=C2c3ccccc3C(=O)[C@H]2c2ccccc2)cc1 ZINC000252601986 564121188 /nfs/dbraw/zinc/12/11/88/564121188.db2.gz FFEXGEDNJDCTGM-NRFANRHFSA-N 0 0 341.410 5.186 50 30 EKEARN CCOc1ccc(N=C2c3ccccc3C(=O)[C@@H]2c2ccccc2)cc1 ZINC000252601987 564121191 /nfs/dbraw/zinc/12/11/91/564121191.db2.gz FFEXGEDNJDCTGM-OAQYLSRUSA-N 0 0 341.410 5.186 50 30 EKEARN Cc1cc(C=Nc2cc([N+](=O)[O-])ccc2C)c(C)n1-c1ccc(C)cc1 ZINC000252602414 564121215 /nfs/dbraw/zinc/12/12/15/564121215.db2.gz FHNSRGPLZPWDFO-UHFFFAOYSA-N 0 0 347.418 5.370 50 30 EKEARN Clc1cc(N=Cc2c[nH]c3ccccc23)ccc1Br ZINC000252602738 564121195 /nfs/dbraw/zinc/12/11/95/564121195.db2.gz FKJNVCFBBHYMQG-UHFFFAOYSA-N 0 0 333.616 5.334 50 30 EKEARN Cc1ccccc1N=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 ZINC000252602979 564121201 /nfs/dbraw/zinc/12/12/01/564121201.db2.gz FNPACFQZHCICBZ-UHFFFAOYSA-N 0 0 349.817 5.618 50 30 EKEARN O=C(Nc1ccc(N=Cc2cccc(Cl)c2)cc1)c1ccccc1 ZINC000252603895 564121217 /nfs/dbraw/zinc/12/12/17/564121217.db2.gz FTXUHZKHCDXFSD-UHFFFAOYSA-N 0 0 334.806 5.343 50 30 EKEARN CC(C)(C)c1cc(N=Cc2ccccc2O)c(O)c(C(C)(C)C)c1 ZINC000252604299 564121242 /nfs/dbraw/zinc/12/12/42/564121242.db2.gz FYIGTRINSIJEDN-UHFFFAOYSA-N 0 0 325.452 5.443 50 30 EKEARN Cc1ccc(O)c(C=Nc2cccc(-c3nc4ccccc4o3)c2)c1 ZINC000252604412 564121260 /nfs/dbraw/zinc/12/12/60/564121260.db2.gz FZNNZRXIQQDTNG-UHFFFAOYSA-N 0 0 328.371 5.259 50 30 EKEARN Cc1ccc2oc(-c3cccc(N=Cc4cccc(Cl)c4)c3)nc2c1 ZINC000252605123 564121255 /nfs/dbraw/zinc/12/12/55/564121255.db2.gz GFZQRZQQIHKKRP-UHFFFAOYSA-N 0 0 346.817 6.207 50 30 EKEARN Cc1cc2nc(-c3ccc(N=Cc4ccccc4O)cc3)oc2c(C)c1 ZINC000252606322 564121296 /nfs/dbraw/zinc/12/12/96/564121296.db2.gz GQZXVYXYLXMASX-UHFFFAOYSA-N 0 0 342.398 5.568 50 30 EKEARN CC(C)/N=C(/NC(C)C)SC(=O)N=C(c1ccccc1)C(C)(C)C ZINC000252606366 564121277 /nfs/dbraw/zinc/12/12/77/564121277.db2.gz GSAFSQXGOXODRI-UHFFFAOYSA-N 0 0 347.528 5.137 50 30 EKEARN O=[N+]([O-])c1ccc(/C=C/C=Nc2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000252607327 564121314 /nfs/dbraw/zinc/12/13/14/564121314.db2.gz HAOLKLICEFOBQW-MUBIYNESSA-N 0 0 340.382 5.582 50 30 EKEARN O=[N+]([O-])c1ccc(/C=C\C=Nc2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000252607328 564121310 /nfs/dbraw/zinc/12/13/10/564121310.db2.gz HAOLKLICEFOBQW-WUUNHUPKSA-N 0 0 340.382 5.582 50 30 EKEARN O=C(Nc1cccc(Cl)c1)N1CCCC1=Nc1ccc(Cl)cc1 ZINC000252607358 564121319 /nfs/dbraw/zinc/12/13/19/564121319.db2.gz HBHFELIMXGGCBL-UHFFFAOYSA-N 0 0 348.233 5.351 50 30 EKEARN OC12C[C@@H]3C[C@H](C1)CC(c1ccc(N=Cc4cccs4)cc1)(C3)C2 ZINC000252607679 564121324 /nfs/dbraw/zinc/12/13/24/564121324.db2.gz HDYZSFDMYBAYOV-XBLGPDGASA-N 0 0 337.488 5.081 50 30 EKEARN Cc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)cc3)cs2)o1 ZINC000252609331 564121443 /nfs/dbraw/zinc/12/14/43/564121443.db2.gz HRUVIZBUNVNFRZ-UHFFFAOYSA-N 0 0 331.828 5.201 50 30 EKEARN Oc1c(C=Nc2ccc3c4c(cccc42)CC3)cccc1-c1ccccc1 ZINC000252609843 564121437 /nfs/dbraw/zinc/12/14/37/564121437.db2.gz HWCXHLGKLMWJBT-UHFFFAOYSA-N 0 0 349.433 6.062 50 30 EKEARN Clc1cccc(C=NN=Cc2cccc(Cl)c2Cl)c1Cl ZINC000252610764 564121777 /nfs/dbraw/zinc/12/17/77/564121777.db2.gz IDIXLIMTRBUJFP-UHFFFAOYSA-N 0 0 346.044 5.753 50 30 EKEARN O=[N+]([O-])c1ccc(N=Cc2c(O)ccc3ccccc23)c2ccccc21 ZINC000252611057 564121815 /nfs/dbraw/zinc/12/18/15/564121815.db2.gz IGQWZYZNJULXSF-UHFFFAOYSA-N 0 0 342.354 5.357 50 30 EKEARN Cc1cccc(-c2nc3cc(N=Cc4cc(C)ccc4O)ccc3o2)c1 ZINC000252611745 564121836 /nfs/dbraw/zinc/12/18/36/564121836.db2.gz IMVPWRMGDCZKCY-UHFFFAOYSA-N 0 0 342.398 5.568 50 30 EKEARN Cc1cc(O)c(N=C/C=C\c2cccc(Br)c2)cc1C ZINC000252612031 564121855 /nfs/dbraw/zinc/12/18/55/564121855.db2.gz IPEYQCBOPCIYIV-ALLIPXQPSA-N 0 0 330.225 5.187 50 30 EKEARN Cc1cc(O)c(N=C/C=C/c2cccc(Br)c2)cc1C ZINC000252612034 564121839 /nfs/dbraw/zinc/12/18/39/564121839.db2.gz IPEYQCBOPCIYIV-GOIQXGLCSA-N 0 0 330.225 5.187 50 30 EKEARN CC(=O)Nc1ccc(N=C/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000252612203 564121852 /nfs/dbraw/zinc/12/18/52/564121852.db2.gz IQDOQQVMDNAQIW-AXUYBOFJSA-N 0 0 333.218 5.368 50 30 EKEARN CC(=O)Nc1ccc(N=C/C=C\c2ccc(Cl)cc2Cl)cc1 ZINC000252612204 564121834 /nfs/dbraw/zinc/12/18/34/564121834.db2.gz IQDOQQVMDNAQIW-XVLOTLFPSA-N 0 0 333.218 5.368 50 30 EKEARN Cc1ccc(-c2nc3cc(N=Cc4ccccc4O)ccc3o2)cc1 ZINC000252612231 564121845 /nfs/dbraw/zinc/12/18/45/564121845.db2.gz IQQJZKBEWZMAQU-UHFFFAOYSA-N 0 0 328.371 5.259 50 30 EKEARN O=[N+]([O-])c1ccc(/C=C/C=Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000252613496 564121956 /nfs/dbraw/zinc/12/19/56/564121956.db2.gz JCKLEQZPIDGMBP-CQMDYEAZSA-N 0 0 343.386 5.754 50 30 EKEARN O=[N+]([O-])c1ccc(/C=C\C=Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000252613498 564121943 /nfs/dbraw/zinc/12/19/43/564121943.db2.gz JCKLEQZPIDGMBP-ZELSNSKJSA-N 0 0 343.386 5.754 50 30 EKEARN Clc1ccc(CN=Nc2nc(-c3ccccc3)cs2)c(Cl)c1 ZINC000252613985 564121995 /nfs/dbraw/zinc/12/19/95/564121995.db2.gz JGHFDLIBYHZMBE-UHFFFAOYSA-N 0 0 348.258 5.563 50 30 EKEARN COc1ccc(N=Cc2cccc(-c3ccccc3)c2O)cc1Cl ZINC000252614398 564122036 /nfs/dbraw/zinc/12/20/36/564122036.db2.gz JIQDRYKYMUWMQA-UHFFFAOYSA-N 0 0 337.806 5.472 50 30 EKEARN Clc1ccc(/C=C\C=Nc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000252614433 564122041 /nfs/dbraw/zinc/12/20/41/564122041.db2.gz JJFJRBWIAZDHRC-MQYHRXMWSA-N 0 0 334.202 5.180 50 30 EKEARN Clc1ccc(/C=C/C=Nc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000252614434 564122030 /nfs/dbraw/zinc/12/20/30/564122030.db2.gz JJFJRBWIAZDHRC-TULCCGIASA-N 0 0 334.202 5.180 50 30 EKEARN C/C(C=Nc1ccccc1Sc1c(C)n[nH]c1C)=C/c1ccco1 ZINC000252614444 564122029 /nfs/dbraw/zinc/12/20/29/564122029.db2.gz JJLLRNVIJYQFRC-JVOCDIRASA-N 0 0 337.448 5.577 50 30 EKEARN C/C(C=Nc1ccccc1Sc1c(C)n[nH]c1C)=C\c1ccco1 ZINC000252614445 564122027 /nfs/dbraw/zinc/12/20/27/564122027.db2.gz JJLLRNVIJYQFRC-OTVZMKTJSA-N 0 0 337.448 5.577 50 30 EKEARN Cc1[nH]c2ccccc2c1C=Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000252615673 564122039 /nfs/dbraw/zinc/12/20/39/564122039.db2.gz JURNWQGTZSULME-UHFFFAOYSA-N 0 0 338.410 5.458 50 30 EKEARN Cc1cc(-c2csc(N=NC(C)c3ccccc3)n2)ccc1F ZINC000252616331 564122061 /nfs/dbraw/zinc/12/20/61/564122061.db2.gz JZRUVFMVMSJYOQ-UHFFFAOYSA-N 0 0 325.412 5.094 50 30 EKEARN Cc1cc(C)c(N=Cc2cc([N+](=O)[O-])c(Cl)cc2Cl)c(C)c1 ZINC000252617074 564122142 /nfs/dbraw/zinc/12/21/42/564122142.db2.gz KLUULZLDTKRHJJ-UHFFFAOYSA-N 0 0 337.206 5.577 50 30 EKEARN CCCOc1ccc(C(=O)ON=C(C)c2ccc(C(C)C)cc2)cc1 ZINC000252617132 564122143 /nfs/dbraw/zinc/12/21/43/564122143.db2.gz KMVPFWZAGAIQQW-UHFFFAOYSA-N 0 0 339.435 5.180 50 30 EKEARN COc1ccc(C=Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000252620159 564122342 /nfs/dbraw/zinc/12/23/42/564122342.db2.gz LYLMNBKDYCIROY-UHFFFAOYSA-N 0 0 349.817 5.330 50 30 EKEARN COc1ccc(N=C/C=C2/C=C(c3ccccc3)OC(C)(C)O2)cc1 ZINC000252620382 524447990 /nfs/dbraw/zinc/44/79/90/524447990.db2.gz MCYGTULKYCNEEG-HBMNACJDSA-N 0 0 335.403 5.105 50 30 EKEARN COc1ccc(N=C/C=C2\C=C(c3ccccc3)OC(C)(C)O2)cc1 ZINC000252620383 564122353 /nfs/dbraw/zinc/12/23/53/564122353.db2.gz MCYGTULKYCNEEG-XXHKCELASA-N 0 0 335.403 5.105 50 30 EKEARN Oc1ccccc1C=Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000252620429 564122385 /nfs/dbraw/zinc/12/23/85/564122385.db2.gz MDZPQWBMHRKDAU-UHFFFAOYSA-N 0 0 338.476 5.067 50 30 EKEARN Brc1ccc(-c2ccc(C=NNc3ccccc3)o2)cc1 ZINC000252620468 564122381 /nfs/dbraw/zinc/12/23/81/564122381.db2.gz MEPJYAICGBUJSI-UHFFFAOYSA-N 0 0 341.208 5.155 50 30 EKEARN Clc1c(C=Nc2cc(Cl)ccc2Cl)sc2ccccc12 ZINC000252620475 564122382 /nfs/dbraw/zinc/12/23/82/564122382.db2.gz MEULQUZQHHXICH-UHFFFAOYSA-N 0 0 340.662 6.612 50 30 EKEARN Cc1ccc2oc(-c3ccc(N=Cc4cc(C)ccc4O)cc3)nc2c1 ZINC000252620523 564122375 /nfs/dbraw/zinc/12/23/75/564122375.db2.gz MFSQQUAEQJMIRE-UHFFFAOYSA-N 0 0 342.398 5.568 50 30 EKEARN Oc1ccc(Cl)cc1C=Nc1cc(C(F)(F)F)ccc1Cl ZINC000252620681 564122350 /nfs/dbraw/zinc/12/23/50/564122350.db2.gz MJPMPZDJOLQOFR-UHFFFAOYSA-N 0 0 334.124 5.468 50 30 EKEARN CCOc1ccc(C=Nc2ccc3c(c2)C(=O)c2ccccc2-3)cc1 ZINC000252620720 564122380 /nfs/dbraw/zinc/12/23/80/564122380.db2.gz MKNRBMCFGAETPO-UHFFFAOYSA-N 0 0 327.383 5.047 50 30 EKEARN Cc1[nH]nc(N=Cc2ccccc2Cl)c1-c1ccc(Cl)cc1 ZINC000252621048 564122828 /nfs/dbraw/zinc/12/28/28/564122828.db2.gz MRVCDNFPCRPHPC-UHFFFAOYSA-N 0 0 330.218 5.443 50 30 EKEARN Cc1ccc2nc(-c3ccc(N=Cc4ccccc4O)cc3)oc2c1 ZINC000252621641 564122829 /nfs/dbraw/zinc/12/28/29/564122829.db2.gz NDOWSGYBSKWNCG-UHFFFAOYSA-N 0 0 328.371 5.259 50 30 EKEARN CC(=NNc1cccc2cccnc21)c1ccc2c3c(cccc31)CC2 ZINC000252621871 564122878 /nfs/dbraw/zinc/12/28/78/564122878.db2.gz NIMCGIMERAGMGD-UHFFFAOYSA-N 0 0 337.426 5.323 50 30 EKEARN Clc1ccccc1C=Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000252621928 564122867 /nfs/dbraw/zinc/12/28/67/564122867.db2.gz NKFHPKLXDNKIAW-UHFFFAOYSA-N 0 0 333.778 5.294 50 30 EKEARN Cc1ccc2oc(-c3cccc(N=Cc4cc(C)ccc4O)c3)nc2c1 ZINC000252622410 564122921 /nfs/dbraw/zinc/12/29/21/564122921.db2.gz NUTDLMLLAKQQDF-UHFFFAOYSA-N 0 0 342.398 5.568 50 30 EKEARN CCOc1ccc(C=Nc2nc3c(ccc4ccccc34)s2)cc1 ZINC000252622705 564122914 /nfs/dbraw/zinc/12/29/14/564122914.db2.gz OAYMWLDLLMTNEH-UHFFFAOYSA-N 0 0 332.428 5.599 50 30 EKEARN Cc1ccc(-c2nc3cc(N=Cc4cc(C)ccc4O)ccc3o2)cc1 ZINC000252622736 564122901 /nfs/dbraw/zinc/12/29/01/564122901.db2.gz OBOSVWYKTBMQTI-UHFFFAOYSA-N 0 0 342.398 5.568 50 30 EKEARN Cc1cc(Br)c(O)c(C=Nc2ccc(Cl)cc2C)c1 ZINC000252623048 564122908 /nfs/dbraw/zinc/12/29/08/564122908.db2.gz OIUYDGKOGBUKRF-UHFFFAOYSA-N 0 0 338.632 5.176 50 30 EKEARN Cc1ccc2oc(-c3ccc(C)c(N=Cc4ccccc4O)c3)nc2c1 ZINC000252623531 564122953 /nfs/dbraw/zinc/12/29/53/564122953.db2.gz OTJMVCOZALHJAY-UHFFFAOYSA-N 0 0 342.398 5.568 50 30 EKEARN CC(C)c1cccc(C(C)C)c1N=Cc1ccccc1Br ZINC000252623637 564122987 /nfs/dbraw/zinc/12/29/87/564122987.db2.gz OVTVLKIRQZPENA-UHFFFAOYSA-N 0 0 344.296 6.447 50 30 EKEARN Clc1ccc(N=C2S/C(=N/C3CCCC3)C3=C2CCCC3)cc1 ZINC000252623706 564122968 /nfs/dbraw/zinc/12/29/68/564122968.db2.gz OXQCCHGAUVLVJT-VEDFENQSSA-N 0 0 344.911 6.329 50 30 EKEARN Clc1ccc(N=C2S/C(=N\C3CCCC3)C3=C2CCCC3)cc1 ZINC000252623707 564122986 /nfs/dbraw/zinc/12/29/86/564122986.db2.gz OXQCCHGAUVLVJT-VWKOINPKSA-N 0 0 344.911 6.329 50 30 EKEARN Brc1ccc(N=C(c2ccccc2)c2ccncc2)cc1 ZINC000252623917 518214059 /nfs/dbraw/zinc/21/40/59/518214059.db2.gz PCFXIKFHNGCKDC-UHFFFAOYSA-N 0 0 337.220 5.013 50 30 EKEARN CC(=NN=C(C)c1cccc2ccccc21)c1cccc2ccccc21 ZINC000252623932 564123108 /nfs/dbraw/zinc/12/31/08/564123108.db2.gz PCMMCSZMSVAZSC-UHFFFAOYSA-N 0 0 336.438 6.226 50 30 EKEARN Cc1cccc(-c2nc3cc(N=Cc4cccc(C)c4O)ccc3o2)c1 ZINC000252624822 564123205 /nfs/dbraw/zinc/12/32/05/564123205.db2.gz PVXLJGBXMAFWNU-UHFFFAOYSA-N 0 0 342.398 5.568 50 30 EKEARN Cc1ccc2oc(-c3ccc(N=Cc4ccccc4)cc3O)nc2c1 ZINC000252624843 564123180 /nfs/dbraw/zinc/12/31/80/564123180.db2.gz PWHBOHQGYDNKGY-UHFFFAOYSA-N 0 0 328.371 5.259 50 30 EKEARN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(O)cc1 ZINC000252624854 564123203 /nfs/dbraw/zinc/12/32/03/564123203.db2.gz PWNOLJKGXXONNQ-UHFFFAOYSA-N 0 0 343.839 5.005 50 30 EKEARN Cc1[nH]c2ccccc2c1C=Nc1ccc(Oc2ccccc2)cc1 ZINC000252624936 564123190 /nfs/dbraw/zinc/12/31/90/564123190.db2.gz PYOJOSHAWAOHQD-UHFFFAOYSA-N 0 0 326.399 6.019 50 30 EKEARN Clc1ccc(N=Cc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000252624992 564123192 /nfs/dbraw/zinc/12/31/92/564123192.db2.gz QANQWEVNVXEVRZ-UHFFFAOYSA-N 0 0 345.833 5.489 50 30 EKEARN Oc1ccc(Br)cc1C=Nc1ccc2ccccc2c1 ZINC000252625049 564123184 /nfs/dbraw/zinc/12/31/84/564123184.db2.gz QBSTXVZMVSVYLF-UHFFFAOYSA-N 0 0 326.193 5.059 50 30 EKEARN COc1ccc(N=C/C=C\c2ccc(Cl)cc2Cl)cc1Cl ZINC000252625093 564123186 /nfs/dbraw/zinc/12/31/86/564123186.db2.gz QDBJCHQOEXCLBR-SAAZBQNISA-N 0 0 340.637 6.071 50 30 EKEARN COc1ccc(N=C/C=C/c2ccc(Cl)cc2Cl)cc1Cl ZINC000252625094 564123182 /nfs/dbraw/zinc/12/31/82/564123182.db2.gz QDBJCHQOEXCLBR-VCXYJUHQSA-N 0 0 340.637 6.071 50 30 EKEARN Clc1ccccc1C=Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000252625374 564123273 /nfs/dbraw/zinc/12/32/73/564123273.db2.gz QISGBPRFLVRFBN-UHFFFAOYSA-N 0 0 333.778 5.294 50 30 EKEARN CC(=Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccc(Cl)s1 ZINC000252625514 564123261 /nfs/dbraw/zinc/12/32/61/564123261.db2.gz QLSGFRJGWWXOSY-SECBINFHSA-N 0 0 334.897 5.600 50 30 EKEARN CC(=Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccc(Cl)s1 ZINC000252625515 564123253 /nfs/dbraw/zinc/12/32/53/564123253.db2.gz QLSGFRJGWWXOSY-VIFPVBQESA-N 0 0 334.897 5.600 50 30 EKEARN Oc1ccc2ccccc2c1C=Nc1ccc(Cl)c2cccnc12 ZINC000252625989 564123266 /nfs/dbraw/zinc/12/32/66/564123266.db2.gz QTMPKZZAILDABZ-UHFFFAOYSA-N 0 0 332.790 5.498 50 30 EKEARN Cc1ccc(N=CC2=C(c3ccccc3)Oc3ccccc3O2)cc1C ZINC000252626035 564123314 /nfs/dbraw/zinc/12/33/14/564123314.db2.gz QUVKYXBEWMAFIS-UHFFFAOYSA-N 0 0 341.410 5.846 50 30 EKEARN Cc1cccc2c1[nH]c1c2SC(C)(C)CC1=NN=Cc1ccccc1 ZINC000252627111 564123388 /nfs/dbraw/zinc/12/33/88/564123388.db2.gz RMUAZAKPAGKYJA-UHFFFAOYSA-N 0 0 347.487 5.574 50 30 EKEARN Cc1nn(-c2ccccc2)c(N=Cc2cccs2)c1-c1ccccc1 ZINC000252627283 564123368 /nfs/dbraw/zinc/12/33/68/564123368.db2.gz RQRCPWYEAFHDBW-UHFFFAOYSA-N 0 0 343.455 5.660 50 30 EKEARN Cc1ccc(C(C)N=Nc2nc(-c3ccc(F)c(C)c3)cs2)cc1 ZINC000252627468 564123376 /nfs/dbraw/zinc/12/33/76/564123376.db2.gz RUYVGINYJBTATC-UHFFFAOYSA-N 0 0 339.439 5.402 50 30 EKEARN [O-]c1c(Cl)cc(Cl)cc1C=Nc1ccc(Br)cc1 ZINC000252627830 564123370 /nfs/dbraw/zinc/12/33/70/564123370.db2.gz SCFYGKJRFQUEST-UHFFFAOYSA-N 0 0 345.023 5.212 50 30 EKEARN Oc1ccc2ccccc2c1CN=Nc1nc(-c2ccccc2)cs1 ZINC000252628118 564123456 /nfs/dbraw/zinc/12/34/56/564123456.db2.gz SIJKIKVQBXSCFY-UHFFFAOYSA-N 0 0 345.427 5.115 50 30 EKEARN Clc1cccc(C=Nc2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000252628423 564123458 /nfs/dbraw/zinc/12/34/58/564123458.db2.gz SQAHURLNOBLJGN-UHFFFAOYSA-N 0 0 348.858 6.367 50 30 EKEARN CN1c2ccccc2C(C)(C)/C1=C\C=Nc1cccc2ccccc21 ZINC000252628891 564123505 /nfs/dbraw/zinc/12/35/05/564123505.db2.gz TTZMOVMXSIIASU-HTTCRTGESA-N 0 0 326.443 5.854 50 30 EKEARN CN1c2ccccc2C(C)(C)/C1=C/C=Nc1cccc2ccccc21 ZINC000252628892 564123498 /nfs/dbraw/zinc/12/34/98/564123498.db2.gz TTZMOVMXSIIASU-ULJAACLHSA-N 0 0 326.443 5.854 50 30 EKEARN Cc1cc(C)c(N=Cc2ccc(OC(=O)c3ccccc3)cc2)c(C)c1 ZINC000252628914 564123479 /nfs/dbraw/zinc/12/34/79/564123479.db2.gz TUSIZPUBFADKNO-UHFFFAOYSA-N 0 0 343.426 5.582 50 30 EKEARN Cc1cccc(-c2nc3cc(N=Cc4ccccc4O)ccc3o2)c1 ZINC000252629350 564123541 /nfs/dbraw/zinc/12/35/41/564123541.db2.gz UEFACVODSGQZJZ-UHFFFAOYSA-N 0 0 328.371 5.259 50 30 EKEARN CCOc1ccc(C=Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000252629589 564123537 /nfs/dbraw/zinc/12/35/37/564123537.db2.gz UJNPJHAYENQOQT-UHFFFAOYSA-N 0 0 344.414 5.088 50 30 EKEARN CC(C)(C)c1ccc(C(=O)ON=Cc2ccccc2C(F)(F)F)cc1 ZINC000252629816 564123523 /nfs/dbraw/zinc/12/35/23/564123523.db2.gz UOGNCCKCEIOHAS-UHFFFAOYSA-N 0 0 349.352 5.194 50 30 EKEARN Cc1ccc(N=Cc2c(O)ccc3cc([N+](=O)[O-])ccc32)cc1Cl ZINC000252629845 564123545 /nfs/dbraw/zinc/12/35/45/564123545.db2.gz UOSRXFBPXSSUDW-UHFFFAOYSA-N 0 0 340.766 5.166 50 30 EKEARN O=C(C=C(Nc1ccc(Cl)cc1)c1cccs1)C(F)(F)F ZINC000252629992 564123531 /nfs/dbraw/zinc/12/35/31/564123531.db2.gz URXSGEVOVKCVEJ-UHFFFAOYSA-N 0 0 331.746 5.044 50 30 EKEARN Cc1ccc(-n2nc3ccc(N=C/C=C/c4ccccc4)cc3n2)cc1 ZINC000252630141 564123561 /nfs/dbraw/zinc/12/35/61/564123561.db2.gz UVNJPGUGMPKZCU-IPJUHICJSA-N 0 0 338.414 5.145 50 30 EKEARN Cc1ccc(-n2nc3ccc(N=C/C=C\c4ccccc4)cc3n2)cc1 ZINC000252630142 564123572 /nfs/dbraw/zinc/12/35/72/564123572.db2.gz UVNJPGUGMPKZCU-KCJIAACBSA-N 0 0 338.414 5.145 50 30 EKEARN C(=Nn1c2ccccc2nc1SCc1ccccc1)c1ccccc1 ZINC000252630251 564123528 /nfs/dbraw/zinc/12/35/28/564123528.db2.gz UXXIRNNQMKZUST-UHFFFAOYSA-N 0 0 343.455 5.211 50 30 EKEARN Cc1nn(-c2ccccc2)c(C)c1N=Cc1ccc(Cl)cc1Cl ZINC000252630284 564123550 /nfs/dbraw/zinc/12/35/50/564123550.db2.gz UYLLAMRRYVCVFG-UHFFFAOYSA-N 0 0 344.245 5.547 50 30 EKEARN CC(C)(C)c1ccc(C(C)(C)C)c(N=Cc2ccc3ccccc3n2)c1 ZINC000252631053 564123990 /nfs/dbraw/zinc/12/39/90/564123990.db2.gz VHFWOEDBSNIQFW-UHFFFAOYSA-N 0 0 344.502 6.580 50 30 EKEARN Cc1ccc(O)c(C=Nc2ccc(-c3nc4ccccc4o3)cc2)c1 ZINC000252632242 564124109 /nfs/dbraw/zinc/12/41/09/564124109.db2.gz VRGVDKIJVIIXBR-UHFFFAOYSA-N 0 0 328.371 5.259 50 30 EKEARN Cc1cc(Cl)ccc1N=Cc1c2ccccc2cc2ccccc21 ZINC000252633097 564124130 /nfs/dbraw/zinc/12/41/30/564124130.db2.gz VZGODAAXHBABJU-UHFFFAOYSA-N 0 0 329.830 6.705 50 30 EKEARN Cc1ccc2[nH]c3c(c2c1)SC(C)(C)CC3=NN=Cc1ccccc1 ZINC000252633488 564124335 /nfs/dbraw/zinc/12/43/35/564124335.db2.gz WDSXXDPBOXDAHL-UHFFFAOYSA-N 0 0 347.487 5.574 50 30 EKEARN Clc1cccc(C=Nc2ccc3oc(-c4ccncc4)nc3c2)c1 ZINC000252633674 564124476 /nfs/dbraw/zinc/12/44/76/564124476.db2.gz WFMQCBFLUGNYHH-UHFFFAOYSA-N 0 0 333.778 5.294 50 30 EKEARN O=C(Oc1ccc(C=Nc2ccccc2Cl)cc1)c1ccccc1 ZINC000252635223 564124592 /nfs/dbraw/zinc/12/45/92/564124592.db2.gz WVPHXJGFOTZEHK-UHFFFAOYSA-N 0 0 335.790 5.310 50 30 EKEARN CN(N=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccc1 ZINC000252635541 564124590 /nfs/dbraw/zinc/12/45/90/564124590.db2.gz WYBPGDJDYJFRRK-UHFFFAOYSA-N 0 0 338.495 5.458 50 30 EKEARN CC1(C)CC(=O)C=C(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 ZINC000252637289 568422015 /nfs/dbraw/zinc/42/20/15/568422015.db2.gz XRJXLDAAFAVWRW-UHFFFAOYSA-N 0 0 349.518 6.489 50 30 EKEARN CCCCCCC(=O)Nc1ccc(N=Cc2cccc(OC)c2)cc1 ZINC000252637636 568422013 /nfs/dbraw/zinc/42/20/13/568422013.db2.gz XUWUCXZVIYLJFU-UHFFFAOYSA-N 0 0 338.451 5.355 50 30 EKEARN Cc1[nH]nc(N=Cc2ccc(Cl)cc2Cl)c1-c1ccccc1 ZINC000252637866 568422021 /nfs/dbraw/zinc/42/20/21/568422021.db2.gz XXQHEWYYXUGGTQ-UHFFFAOYSA-N 0 0 330.218 5.443 50 30 EKEARN CCn1c2ccccc2nc1N=Cc1c2ccccc2cc2ccccc21 ZINC000252639370 564124614 /nfs/dbraw/zinc/12/46/14/564124614.db2.gz YKFYADNTIMIGCY-UHFFFAOYSA-N 0 0 349.437 6.113 50 30 EKEARN Cc1ccc(C)c(N=C2c3ccccc3-c3nc4ccccc4cc32)c1 ZINC000252639371 564124601 /nfs/dbraw/zinc/12/46/01/564124601.db2.gz YKGWWTVVWGHCGC-UHFFFAOYSA-N 0 0 334.422 6.001 50 30 EKEARN CN(C)c1ccc(N=Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000252639486 564124594 /nfs/dbraw/zinc/12/45/94/564124594.db2.gz YKNLCPWTXQKDKQ-UHFFFAOYSA-N 0 0 330.431 5.082 50 30 EKEARN CCCSC(=NC#N)SCn1c2ccccc2sc1=S ZINC000252640436 564124641 /nfs/dbraw/zinc/12/46/41/564124641.db2.gz YTWFQMHVBZSCIM-UHFFFAOYSA-N 0 0 339.536 5.103 50 30 EKEARN CCCOc1ccc(C=Nc2ccc3c(c2)C(=O)c2ccccc2-3)cc1 ZINC000252643193 564124755 /nfs/dbraw/zinc/12/47/55/564124755.db2.gz ZTGZUISOHQHTHS-UHFFFAOYSA-N 0 0 341.410 5.437 50 30 EKEARN COc1ccc(C=Nc2ccccc2NC2=CC(=O)CC(C)(C)C2)cc1 ZINC000252643428 564124748 /nfs/dbraw/zinc/12/47/48/564124748.db2.gz ZUKQUTBTLYENAM-UHFFFAOYSA-N 0 0 348.446 5.131 50 30 EKEARN O=C(Oc1ccc(N=Cc2cccs2)cc1)c1ccccc1Cl ZINC000252643431 564124763 /nfs/dbraw/zinc/12/47/63/564124763.db2.gz ZUKREPGZOPBTAB-UHFFFAOYSA-N 0 0 341.819 5.371 50 30 EKEARN CCOc1ccc(C=Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 ZINC000252643798 564124724 /nfs/dbraw/zinc/12/47/24/564124724.db2.gz ZWVTVFRJAVRYLV-UHFFFAOYSA-N 0 0 342.870 5.480 50 30 EKEARN C=CCn1c(-c2ccc(C)cc2)csc1=Nc1c(C)cc(C)cc1C ZINC000252669486 564124805 /nfs/dbraw/zinc/12/48/05/564124805.db2.gz HROOVTWJIXXTMC-UHFFFAOYSA-N 0 0 348.515 5.869 50 30 EKEARN C=CCn1c(-c2ccc(Cl)cc2)c(C)sc1=Nc1ccccc1 ZINC000252675776 564124868 /nfs/dbraw/zinc/12/48/68/564124868.db2.gz VATCRNPMYSZGFN-UHFFFAOYSA-N 0 0 340.879 5.597 50 30 EKEARN C=CCn1c2c(sc1=Nc1ccc(C)cc1)CCc1ccccc1-2 ZINC000252676070 564124867 /nfs/dbraw/zinc/12/48/67/564124867.db2.gz VXIVQSWZGJTFMI-UHFFFAOYSA-N 0 0 332.472 5.042 50 30 EKEARN C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccccc1 ZINC000252677429 564124894 /nfs/dbraw/zinc/12/48/94/564124894.db2.gz YRVXLZXCGBCIDL-UHFFFAOYSA-N 0 0 326.852 5.288 50 30 EKEARN CC(=O)c1cccc(N=CC=C2C=C(c3ccccc3)OC(C)(C)O2)c1 ZINC000252679249 564124919 /nfs/dbraw/zinc/12/49/19/564124919.db2.gz JXYGEADZRMSNEQ-QGTAZMLTSA-N 0 0 347.414 5.299 50 30 EKEARN CC(=O)c1cccc(N=CC=C2C=C(c3ccccc3)OC(C)(C)O2)c1 ZINC000252679250 518424293 /nfs/dbraw/zinc/42/42/93/518424293.db2.gz JXYGEADZRMSNEQ-VZGQVLLGSA-N 0 0 347.414 5.299 50 30 EKEARN CC(=O)c1ccc(N=CC=C2C=C(c3ccccc3)OC(C)(C)O2)cc1 ZINC000252680064 518354988 /nfs/dbraw/zinc/35/49/88/518354988.db2.gz VCJDIAWNVFLILL-LGQKTSMBSA-N 0 0 347.414 5.299 50 30 EKEARN CC(=O)c1ccc(N=CC=C2C=C(c3ccccc3)OC(C)(C)O2)cc1 ZINC000252680065 518355898 /nfs/dbraw/zinc/35/58/98/518355898.db2.gz VCJDIAWNVFLILL-ZNQGSICUSA-N 0 0 347.414 5.299 50 30 EKEARN COc1ccc(/C=C2\C[C@H](C)C/C(=C/c3ccc(OC)cc3)C2=O)cc1 ZINC000252694751 564124960 /nfs/dbraw/zinc/12/49/60/564124960.db2.gz PKCBZUFBRPBRKZ-BGVDWQIYSA-N 0 0 348.442 5.170 50 30 EKEARN COc1ccc(/C=C2\C[C@@H](C)C/C(=C/c3ccc(OC)cc3)C2=O)cc1 ZINC000252694752 564124951 /nfs/dbraw/zinc/12/49/51/564124951.db2.gz PKCBZUFBRPBRKZ-GUADBCJISA-N 0 0 348.442 5.170 50 30 EKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](C#N)[C@@]4(C)CC[C@H]32)C1 ZINC000252694854 519757077 /nfs/dbraw/zinc/75/70/77/519757077.db2.gz QUGXMPWNBWSXCH-PFUFYFGGSA-N 0 0 341.495 5.021 50 30 EKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](C#N)[C@@]4(C)CC[C@H]32)C1 ZINC000252694855 564132122 /nfs/dbraw/zinc/13/21/22/564132122.db2.gz QUGXMPWNBWSXCH-POWQLDEASA-N 0 0 341.495 5.021 50 30 EKEARN CC(C)(C)[C@@H]1C/C(=C\c2cccs2)C(=O)/C(=C\c2cccs2)C1 ZINC000253390297 564130429 /nfs/dbraw/zinc/13/04/29/564130429.db2.gz RIBSESIBPDNOEQ-OEYDXYMWSA-N 0 0 342.529 6.302 50 30 EKEARN CC(C)(C)[C@H]1C/C(=C\c2cccs2)C(=O)/C(=C\c2cccs2)C1 ZINC000253390300 564130430 /nfs/dbraw/zinc/13/04/30/564130430.db2.gz RIBSESIBPDNOEQ-YNFGUSTMSA-N 0 0 342.529 6.302 50 30 EKEARN CC(C)(C)[C@H]1C/C(=C\c2ccccc2)C(=O)/C(=C\c2ccccc2)C1 ZINC000253390347 518970498 /nfs/dbraw/zinc/97/04/98/518970498.db2.gz MGORMIBKCGZSKY-IHDHVBRQSA-N 0 0 330.471 6.179 50 30 EKEARN CC(C)(C)[C@@H]1C/C(=C\c2ccccc2)C(=O)/C(=C\c2ccccc2)C1 ZINC000253390349 564132157 /nfs/dbraw/zinc/13/21/57/564132157.db2.gz MGORMIBKCGZSKY-JAMNRSEDSA-N 0 0 330.471 6.179 50 30 EKEARN N#Cc1ccccc1-c1cc(-c2ccccc2)c2cc(Cl)ccc2n1 ZINC000253426543 564132159 /nfs/dbraw/zinc/13/21/59/564132159.db2.gz HJXBUKZBOMDTES-UHFFFAOYSA-N 0 0 340.813 6.094 50 30 EKEARN N#Cc1c(=O)oc2ccc3ccccc3c2c1-c1ccccc1Cl ZINC000253470615 564132597 /nfs/dbraw/zinc/13/25/97/564132597.db2.gz PNDLYRSLGMMPPW-UHFFFAOYSA-N 0 0 331.758 5.138 50 30 EKEARN N#Cc1c(=O)oc2c3ccccc3ccc2c1-c1ccccc1Cl ZINC000253470971 564132612 /nfs/dbraw/zinc/13/26/12/564132612.db2.gz JDGGAPZPUBYFPJ-UHFFFAOYSA-N 0 0 331.758 5.138 50 30 EKEARN CC(C)(c1ccccc1)c1ccc2c(c1)C=CC(=O)C2(Cl)Cl ZINC000253473806 563974310 /nfs/dbraw/zinc/97/43/10/563974310.db2.gz YRVZTGULVHSALF-UHFFFAOYSA-N 0 0 331.242 5.239 50 30 EKEARN CC(=O)/C=C/c1ccc2c(c1)C(C)=CC(C)(C)N2Cc1ccccc1 ZINC000253495369 564132708 /nfs/dbraw/zinc/13/27/08/564132708.db2.gz ATHPULXZHPKPBL-ZHACJKMWSA-N 0 0 331.459 5.491 50 30 EKEARN C=C1CC[C@]2(C)CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)O)[C@]4(C)CC[C@H]3[C@@]2(C)C1 ZINC000253497673 564132210 /nfs/dbraw/zinc/13/22/10/564132210.db2.gz DKVSCGXPVFHNKP-KTUMBQNLSA-N 0 0 330.556 5.972 50 30 EKEARN C=C1CC[C@]2(C)CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)O)[C@]4(C)CC[C@H]3[C@]2(C)C1 ZINC000253497674 564132206 /nfs/dbraw/zinc/13/22/06/564132206.db2.gz DKVSCGXPVFHNKP-NMTJCNINSA-N 0 0 330.556 5.972 50 30 EKEARN C=C1CC[C@]2(C)CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)O)[C@]4(C)CC[C@@H]3[C@]2(C)C1 ZINC000253497675 564132205 /nfs/dbraw/zinc/13/22/05/564132205.db2.gz DKVSCGXPVFHNKP-VKNDOSGSSA-N 0 0 330.556 5.972 50 30 EKEARN C=C1CC[C@]2(C)CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)O)[C@]4(C)CC[C@@H]3[C@@]2(C)C1 ZINC000253497676 564132207 /nfs/dbraw/zinc/13/22/07/564132207.db2.gz DKVSCGXPVFHNKP-YKTHMNQYSA-N 0 0 330.556 5.972 50 30 EKEARN CCC1=C2CC[C@H]3[C@@H]4CC[C@](C)(O)[C@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000253497936 564132189 /nfs/dbraw/zinc/13/21/89/564132189.db2.gz OVEPXIPPAPYZOU-DATWMLDGSA-N 0 0 330.512 5.050 50 30 EKEARN CCC1=C2CC[C@H]3[C@H]4CC[C@](C)(O)[C@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000253497937 257999207 /nfs/dbraw/zinc/99/92/07/257999207.db2.gz OVEPXIPPAPYZOU-WQJOUJQDSA-N 0 0 330.512 5.050 50 30 EKEARN CCC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@]5(CO5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253498943 257999136 /nfs/dbraw/zinc/99/91/36/257999136.db2.gz BDIOFUIBSDCUQC-JZWVWRMQSA-N 0 0 346.555 5.329 50 30 EKEARN CCC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@]5(CO5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253498946 564132764 /nfs/dbraw/zinc/13/27/64/564132764.db2.gz BDIOFUIBSDCUQC-UDPUNPHXSA-N 0 0 346.555 5.329 50 30 EKEARN CCC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@]5(CO5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253498950 564132742 /nfs/dbraw/zinc/13/27/42/564132742.db2.gz BDIOFUIBSDCUQC-WAFLTVCXSA-N 0 0 346.555 5.329 50 30 EKEARN CC[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1C(C)=O ZINC000253499724 564132762 /nfs/dbraw/zinc/13/27/62/564132762.db2.gz MXMFBDWUIIDGDY-BIAIKJEMSA-N 0 0 342.523 5.360 50 30 EKEARN CC[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1C(C)=O ZINC000253499727 564132749 /nfs/dbraw/zinc/13/27/49/564132749.db2.gz MXMFBDWUIIDGDY-BPXCBAGDSA-N 0 0 342.523 5.360 50 30 EKEARN CC[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O ZINC000253499729 257999197 /nfs/dbraw/zinc/99/91/97/257999197.db2.gz MXMFBDWUIIDGDY-YNZWZWNZSA-N 0 0 342.523 5.360 50 30 EKEARN C[C@]1([C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)CO1 ZINC000253499762 564132757 /nfs/dbraw/zinc/13/27/57/564132757.db2.gz NDJUVJCBLCBNQW-AGNRALNMSA-N 0 0 330.512 5.003 50 30 EKEARN C[C@]1([C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)CO1 ZINC000253499763 257999063 /nfs/dbraw/zinc/99/90/63/257999063.db2.gz NDJUVJCBLCBNQW-SCZXZNJBSA-N 0 0 330.512 5.003 50 30 EKEARN C[C@]1([C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)CO1 ZINC000253499778 257999179 /nfs/dbraw/zinc/99/91/79/257999179.db2.gz NDJUVJCBLCBNQW-SYALNFSTSA-N 0 0 330.512 5.003 50 30 EKEARN C/C(=N/O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C/C(=N\O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253499886 564132785 /nfs/dbraw/zinc/13/27/85/564132785.db2.gz QPVTWJVYONZWBL-KRSRKXNQSA-N 0 0 344.499 5.246 50 30 EKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C#N)[C@@]4(C)CC[C@@H]32)C1 ZINC000253499892 564132770 /nfs/dbraw/zinc/13/27/70/564132770.db2.gz QUGXMPWNBWSXCH-CUCLYRJJSA-N 0 0 341.495 5.021 50 30 EKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H](C#N)[C@@]4(C)CC[C@@H]32)C1 ZINC000253499893 564132797 /nfs/dbraw/zinc/13/27/97/564132797.db2.gz QUGXMPWNBWSXCH-LUCGELGGSA-N 0 0 341.495 5.021 50 30 EKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C#N)[C@@]4(C)CC[C@H]32)C1 ZINC000253499894 564132786 /nfs/dbraw/zinc/13/27/86/564132786.db2.gz QUGXMPWNBWSXCH-NLTCRUIOSA-N 0 0 341.495 5.021 50 30 EKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H](C#N)[C@@]4(C)CC[C@H]32)C1 ZINC000253499895 564132776 /nfs/dbraw/zinc/13/27/76/564132776.db2.gz QUGXMPWNBWSXCH-SAEBETIVSA-N 0 0 341.495 5.021 50 30 EKEARN CC(=O)[C@]1(C)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253527871 564132216 /nfs/dbraw/zinc/13/22/16/564132216.db2.gz NOSSBHBMUGGCBX-BFAIBAPCSA-N 0 0 342.523 5.360 50 30 EKEARN CC(=O)[C@]1(C)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253527872 564132202 /nfs/dbraw/zinc/13/22/02/564132202.db2.gz NOSSBHBMUGGCBX-ILUUNECVSA-N 0 0 342.523 5.360 50 30 EKEARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](C#N)[C@]4(C)CC[C@H]32)C1 ZINC000253612462 258073516 /nfs/dbraw/zinc/07/35/16/258073516.db2.gz QUGXMPWNBWSXCH-HKHBUPFLSA-N 0 0 341.495 5.021 50 30 EKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](C#N)[C@]4(C)CC[C@H]32)C1 ZINC000253612463 258073385 /nfs/dbraw/zinc/07/33/85/258073385.db2.gz QUGXMPWNBWSXCH-NXWUBYMWSA-N 0 0 341.495 5.021 50 30 EKEARN CCCO[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253617090 258073451 /nfs/dbraw/zinc/07/34/51/258073451.db2.gz BLNQANGFOGHVAO-WVYKEMLSSA-N 0 0 330.512 5.314 50 30 EKEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253617320 258014652 /nfs/dbraw/zinc/01/46/52/258014652.db2.gz IVXCPPFOKIYBRE-CHCWYRICSA-N 0 0 328.540 5.420 50 30 EKEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253617322 258014965 /nfs/dbraw/zinc/01/49/65/258014965.db2.gz IVXCPPFOKIYBRE-MTIRTVRRSA-N 0 0 328.540 5.420 50 30 EKEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253617324 258014791 /nfs/dbraw/zinc/01/47/91/258014791.db2.gz IVXCPPFOKIYBRE-UCKAWJCSSA-N 0 0 328.540 5.420 50 30 EKEARN C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1CC[C@@]2(O)C#CCl ZINC000253617570 258014636 /nfs/dbraw/zinc/01/46/36/258014636.db2.gz WJYFACPYOCRQPX-UMKHLJCSSA-N 0 0 334.931 5.350 50 30 EKEARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)C#CCl ZINC000253617571 258014941 /nfs/dbraw/zinc/01/49/41/258014941.db2.gz WJYFACPYOCRQPX-WZGFBNHNSA-N 0 0 334.931 5.350 50 30 EKEARN CC(C)[C@H]1CC[C@@H](C)/C(=C\C=C2/C(=O)[C@H](C(C)C)CC[C@@H]2C)C1=O ZINC000253618204 258073552 /nfs/dbraw/zinc/07/35/52/258073552.db2.gz CDLMGTMYJCSWTE-SNLVCNPISA-N 0 0 330.512 5.382 50 30 EKEARN Oc1ccc2ccccc2c1C=Nc1ccc(Br)cc1 ZINC000253618239 258073454 /nfs/dbraw/zinc/07/34/54/258073454.db2.gz PXLPAZKKRLOYAO-UHFFFAOYSA-N 0 0 326.193 5.059 50 30 EKEARN N#Cc1c2c(sc1N=Cc1c(O)ccc3ccccc31)CCCC2 ZINC000253618442 564133259 /nfs/dbraw/zinc/13/32/59/564133259.db2.gz PGNHOGXLZUATQT-UHFFFAOYSA-N 0 0 332.428 5.108 50 30 EKEARN CC(=O)[C@]1(C)CC[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000254016176 258073537 /nfs/dbraw/zinc/07/35/37/258073537.db2.gz HCFSGRMEEXUOSS-FCAYFTLSSA-N 0 0 340.507 5.280 50 30 EKEARN CC(=O)[C@]1(C)CC[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000254016184 258073559 /nfs/dbraw/zinc/07/35/59/258073559.db2.gz HCFSGRMEEXUOSS-PSNYSBIKSA-N 0 0 340.507 5.280 50 30 EKEARN CC(=O)[C@]1(C)CC[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000254016191 258073526 /nfs/dbraw/zinc/07/35/26/258073526.db2.gz HCFSGRMEEXUOSS-QFCRKXLFSA-N 0 0 340.507 5.280 50 30 EKEARN C=C1C[C@@]2(C[C@H](c3ccccc3C)O[C@H](c3ccccc3C)C2)OC1=O ZINC000254127785 258014909 /nfs/dbraw/zinc/01/49/09/258014909.db2.gz BLHJWESERKQLRX-SGRGSNTQSA-N 0 0 348.442 5.138 50 30 EKEARN CC(Cl)=Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000254290712 568422740 /nfs/dbraw/zinc/42/27/40/568422740.db2.gz AEASXDFTGLAVET-UHFFFAOYSA-N 0 0 325.837 6.242 50 30 EKEARN CCN1c2cc(-c3ccccc3)ccc2O/C1=C\C=Nc1ccccc1 ZINC000254302944 564132241 /nfs/dbraw/zinc/13/22/41/564132241.db2.gz BLMQPFNXVFXTEM-NMWLGCIISA-N 0 0 340.426 5.816 50 30 EKEARN CCN1c2cc(-c3ccccc3)ccc2O/C1=C/C=Nc1ccccc1 ZINC000254302947 564132245 /nfs/dbraw/zinc/13/22/45/564132245.db2.gz BLMQPFNXVFXTEM-SBDYRPBBSA-N 0 0 340.426 5.816 50 30 EKEARN COc1ccc(N=Cc2ccc(C=Nc3ccc(OC)cc3)cc2)cc1 ZINC000254312316 258073539 /nfs/dbraw/zinc/07/35/39/258073539.db2.gz WHVPISQBOXRCHR-UHFFFAOYSA-N 0 0 344.414 5.205 50 30 EKEARN C=CCn1c(-c2ccc(C)cc2)csc1=Nc1ccc(Cl)cc1 ZINC000254348042 564132239 /nfs/dbraw/zinc/13/22/39/564132239.db2.gz SEASQOUBARUBJW-UHFFFAOYSA-N 0 0 340.879 5.597 50 30 EKEARN CCN(CC#N)c1ccc(N=Nc2cc(Cl)ccc2Cl)cc1 ZINC000254349337 563983640 /nfs/dbraw/zinc/98/36/40/563983640.db2.gz NKIBJAPDPOJTJE-UHFFFAOYSA-N 0 0 333.222 5.759 50 30 EKEARN COc1cccc(N=Cc2ccc(C=Nc3cccc(OC)c3)cc2)c1 ZINC000254518062 564132252 /nfs/dbraw/zinc/13/22/52/564132252.db2.gz WILUYCCJGCJLNY-UHFFFAOYSA-N 0 0 344.414 5.205 50 30 EKEARN O=[N+]([O-])c1cccc(C=Nc2ccc(N=Nc3ccccc3)cc2)c1 ZINC000254616890 564116857 /nfs/dbraw/zinc/11/68/57/564116857.db2.gz WWRKYXPXQZJAGM-UHFFFAOYSA-N 0 0 330.347 5.761 50 30 EKEARN C=CCn1c(-c2ccc(C)cc2)csc1=Nc1cccc(C)c1C ZINC000254752919 564132275 /nfs/dbraw/zinc/13/22/75/564132275.db2.gz RCDIUKGDWWXQSV-UHFFFAOYSA-N 0 0 334.488 5.560 50 30 EKEARN N#Cc1ccc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1 ZINC000254819043 564156169 /nfs/dbraw/zinc/15/61/69/564156169.db2.gz OWBBXXVGWXLSDP-UHFFFAOYSA-N 0 0 326.359 5.226 50 30 EKEARN Clc1cccc(Cl)c1C=NN=Cc1c(Cl)cccc1Cl ZINC000254821219 564132257 /nfs/dbraw/zinc/13/22/57/564132257.db2.gz VVYREDLOWZKKFX-UHFFFAOYSA-N 0 0 346.044 5.753 50 30 EKEARN O=C(C(=NN=Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 ZINC000254826722 563607583 /nfs/dbraw/zinc/60/75/83/563607583.db2.gz KWQRBQAHDAEYIK-UHFFFAOYSA-N 0 0 346.817 5.046 50 30 EKEARN CCC[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257345874 258073445 /nfs/dbraw/zinc/07/34/45/258073445.db2.gz LZSOOHLAZHOTHJ-PMHZBBCSSA-N 0 0 330.512 5.050 50 30 EKEARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3C(C)(C)C(O)=C(C=O)C[C@]3(C)[C@@H]1CC2 ZINC000257346231 258073440 /nfs/dbraw/zinc/07/34/40/258073440.db2.gz VNXWQBNQVCQUSW-NFGZCUHKSA-N 0 0 330.512 5.676 50 30 EKEARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3C(C)(C)C(O)=C(C=O)C[C@@]3(C)[C@@H]1CC2 ZINC000257346232 258073674 /nfs/dbraw/zinc/07/36/74/258073674.db2.gz VNXWQBNQVCQUSW-QFQGTSIHSA-N 0 0 330.512 5.676 50 30 EKEARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3C(C)(C)C(O)=C(C=O)C[C@]3(C)[C@H]1CC2 ZINC000257346233 258073678 /nfs/dbraw/zinc/07/36/78/258073678.db2.gz VNXWQBNQVCQUSW-YZKQYJDFSA-N 0 0 330.512 5.676 50 30 EKEARN C=C1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257346412 564132485 /nfs/dbraw/zinc/13/24/85/564132485.db2.gz DPCZMRQCEHNJJR-ILHTXMRTSA-N 0 0 328.496 5.437 50 30 EKEARN C=C1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257346413 564132497 /nfs/dbraw/zinc/13/24/97/564132497.db2.gz DPCZMRQCEHNJJR-JVTHYKSUSA-N 0 0 328.496 5.437 50 30 EKEARN C=C1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257346414 564132487 /nfs/dbraw/zinc/13/24/87/564132487.db2.gz DPCZMRQCEHNJJR-OGDHSWOFSA-N 0 0 328.496 5.437 50 30 EKEARN C=C1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257346415 564132514 /nfs/dbraw/zinc/13/25/14/564132514.db2.gz DPCZMRQCEHNJJR-VXAPCQRLSA-N 0 0 328.496 5.437 50 30 EKEARN CN(C)c1ccc(C=Nc2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000257346549 564130208 /nfs/dbraw/zinc/13/02/08/564130208.db2.gz PQZQTLXBAITVTJ-UHFFFAOYSA-N 0 0 326.749 5.175 50 30 EKEARN CC(=NO)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257356628 564132510 /nfs/dbraw/zinc/13/25/10/564132510.db2.gz JKENIRSEIALBGX-CJABKTNBSA-N 0 0 344.499 5.246 50 30 EKEARN CC(=NO)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/O)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000257356629 564132521 /nfs/dbraw/zinc/13/25/21/564132521.db2.gz JKENIRSEIALBGX-IDIAXKMDSA-N 0 0 344.499 5.246 50 30 EKEARN CC(=NO)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/O)CC[C@@]4(C)[C@@H]3CC[C@]12C ZINC000257356630 564132515 /nfs/dbraw/zinc/13/25/15/564132515.db2.gz JKENIRSEIALBGX-LLNKBYCQSA-N 0 0 344.499 5.246 50 30 EKEARN CC(=NO)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257356631 564132518 /nfs/dbraw/zinc/13/25/18/564132518.db2.gz JKENIRSEIALBGX-QECQLFQNSA-N 0 0 344.499 5.246 50 30 EKEARN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H](OCC)OC1=O ZINC000261492084 244594304 /nfs/dbraw/zinc/59/43/04/244594304.db2.gz LDXKIEGKQAFIRM-CRZJXGIFSA-N 0 0 344.495 5.187 50 30 EKEARN Cc1ccc(/C=N/N/C=C/c2cc3cccc(C)c3nc2Cl)cc1 ZINC000261492674 258073913 /nfs/dbraw/zinc/07/39/13/258073913.db2.gz FDFVVNGRDQYADU-IJRGBBSWSA-N 0 0 335.838 5.099 50 30 EKEARN N#Cc1c(F)cccc1-c1ccc(NC(=O)OCc2ccccc2)cc1 ZINC000261494349 244595197 /nfs/dbraw/zinc/59/51/97/244595197.db2.gz VNINDBGOPMMXMT-UHFFFAOYSA-N 0 0 346.361 5.113 50 30 EKEARN C=CCCNc1cc(OCc2ccccc2)ccc1Br ZINC000299804060 258006169 /nfs/dbraw/zinc/00/61/69/258006169.db2.gz WAGCGUWZYVHXBX-UHFFFAOYSA-N 0 0 332.241 5.016 50 30 EKEARN C[C@@H](C(=O)Nc1cccc2c1CN(c1nccs1)C2)c1ccccc1 ZINC000328587223 564136570 /nfs/dbraw/zinc/13/65/70/564136570.db2.gz IJSDRAKMYRZFEO-CQSZACIVSA-N 0 0 349.459 5.055 50 30 EKEARN Cc1cccc(C)c1CNc1ccc(C(=O)NC2CC2)c(Cl)c1 ZINC000328590518 564136712 /nfs/dbraw/zinc/13/67/12/564136712.db2.gz QAEHSWSXYYAGGE-UHFFFAOYSA-N 0 0 328.843 5.036 50 30 EKEARN Cc1cc(C)cc(CNc2ccc(C(=O)NC3CC3)c(Cl)c2)c1 ZINC000328590522 564136698 /nfs/dbraw/zinc/13/66/98/564136698.db2.gz XPENBZAGRJARRM-UHFFFAOYSA-N 0 0 328.843 5.036 50 30 EKEARN COCc1cccc(NC(=O)C2(c3cccs3)CCCCC2)c1 ZINC000328592722 523062190 /nfs/dbraw/zinc/06/21/90/523062190.db2.gz UZVKDULYKCEAKB-UHFFFAOYSA-N 0 0 329.465 5.385 50 30 EKEARN O=C(Nc1cc(C(F)(F)F)ccn1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000328593279 564136764 /nfs/dbraw/zinc/13/67/64/564136764.db2.gz PDIMSQYAWNRVGQ-NEPJUHHUSA-N 0 0 340.732 5.146 50 30 EKEARN O=C(Nc1cc(C(F)(F)F)ccn1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000328593280 564136790 /nfs/dbraw/zinc/13/67/90/564136790.db2.gz PDIMSQYAWNRVGQ-NWDGAFQWSA-N 0 0 340.732 5.146 50 30 EKEARN O=C(Nc1cc(C(F)(F)F)ccn1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000328593281 527503049 /nfs/dbraw/zinc/50/30/49/527503049.db2.gz PDIMSQYAWNRVGQ-RYUDHWBXSA-N 0 0 340.732 5.146 50 30 EKEARN O=C(Nc1cc(C(F)(F)F)ccn1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000328593282 564136773 /nfs/dbraw/zinc/13/67/73/564136773.db2.gz PDIMSQYAWNRVGQ-VXGBXAGGSA-N 0 0 340.732 5.146 50 30 EKEARN CC(=O)Nc1cc(-c2nc(-c3cc4ccccc4o3)cs2)ccn1 ZINC000328593643 564136803 /nfs/dbraw/zinc/13/68/03/564136803.db2.gz SDTYIIRRUBHPIH-UHFFFAOYSA-N 0 0 335.388 5.226 50 30 EKEARN CC(C)C[C@@H](C)OCCC(=O)Nc1cccc(NCC(F)(F)F)c1 ZINC000328594314 564136811 /nfs/dbraw/zinc/13/68/11/564136811.db2.gz ALSDRFHMFWCWRI-CYBMUJFWSA-N 0 0 346.393 5.090 50 30 EKEARN CC(C)C[C@H](C)OCCC(=O)Nc1cccc(NCC(F)(F)F)c1 ZINC000328594315 519324762 /nfs/dbraw/zinc/32/47/62/519324762.db2.gz ALSDRFHMFWCWRI-ZDUSSCGKSA-N 0 0 346.393 5.090 50 30 EKEARN O=C(Nc1csnc1-c1ccccc1)c1ccc(F)cc1Cl ZINC000328596562 258042385 /nfs/dbraw/zinc/04/23/85/258042385.db2.gz CICGIRLKFCCKTO-UHFFFAOYSA-N 0 0 332.787 5.239 50 30 EKEARN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(F)ccc2C)c1 ZINC000330032531 258002635 /nfs/dbraw/zinc/00/26/35/258002635.db2.gz OYRVSTOVXNEUEF-UHFFFAOYSA-N 0 0 334.778 5.422 50 30 EKEARN O=C(NC1CCC(C(=O)NCCC2=CCCCC2)CC1)C1CCCC1 ZINC000330032683 258003172 /nfs/dbraw/zinc/00/31/72/258003172.db2.gz QTHPYIRGBPSWON-UHFFFAOYSA-N 0 0 346.515 5.539 50 30 EKEARN CCC(/C=C1/Oc2cc3ccccc3cc2N1CC)=Nc1ccccc1 ZINC000334156981 258005284 /nfs/dbraw/zinc/00/52/84/258005284.db2.gz PXIJCSZNPGOKCC-DPPCHBHFSA-N 0 0 342.442 6.083 50 30 EKEARN CCC(/C=C1\Oc2cc3ccccc3cc2N1CC)=Nc1ccccc1 ZINC000334156982 258005530 /nfs/dbraw/zinc/00/55/30/258005530.db2.gz PXIJCSZNPGOKCC-GXEMKLATSA-N 0 0 342.442 6.083 50 30 EKEARN CCN1c2ccccc2S/C1=C\C=C\C=C/C=Nc1ccc(C)cc1 ZINC000334157631 521730922 /nfs/dbraw/zinc/73/09/22/521730922.db2.gz WGCLQTPIGNFXLN-HZHNSECJSA-N 0 0 346.499 6.283 50 30 EKEARN C=CCn1c(-c2ccccc2)c(C)sc1=Nc1ccc(Cl)cc1 ZINC000334157792 564148860 /nfs/dbraw/zinc/14/88/60/564148860.db2.gz HLAYZMZBFOIVOI-UHFFFAOYSA-N 0 0 340.879 5.597 50 30 EKEARN CN1C(c2ccccc2)=CC(=C2C=CC(=O)C=C2)C=C1c1ccccc1 ZINC000334157876 564148865 /nfs/dbraw/zinc/14/88/65/564148865.db2.gz UTSXMSSCYZLPHT-UHFFFAOYSA-N 0 0 337.422 5.006 50 30 EKEARN N#Cc1nc(-c2ccccc2F)oc1Sc1ccc(Cl)cc1 ZINC000334162837 258016039 /nfs/dbraw/zinc/01/60/39/258016039.db2.gz SIIOJLHEVSWRAE-UHFFFAOYSA-N 0 0 330.771 5.157 50 30 EKEARN O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000334163514 564148926 /nfs/dbraw/zinc/14/89/26/564148926.db2.gz VLKODAFWYIBCFG-XNTDXEJSSA-N 0 0 348.829 5.815 50 30 EKEARN CCCCCCCN1C=CC(=C/C=C2\c3ccccc3N=C2C)C=C1 ZINC000367729167 564133767 /nfs/dbraw/zinc/13/37/67/564133767.db2.gz RODAKDRVZSMMNA-BKUYFWCQSA-N 0 0 332.491 6.416 50 30 EKEARN CCCCCCCN1C=CC(=C/C=C2/c3ccccc3N=C2C)C=C1 ZINC000367729168 520052216 /nfs/dbraw/zinc/05/22/16/520052216.db2.gz RODAKDRVZSMMNA-FYJGNVAPSA-N 0 0 332.491 6.416 50 30 EKEARN Cc1ccc(-c2nc(C#N)c(NCc3cccc4ccccc43)o2)cc1 ZINC000390822191 258003704 /nfs/dbraw/zinc/00/37/04/258003704.db2.gz PJLZMIGQFHFITF-UHFFFAOYSA-N 0 0 339.398 5.287 50 30 EKEARN N#Cc1ncc(C(F)(F)F)cc1Oc1ccc(Cl)cc1Cl ZINC000390822259 564173674 /nfs/dbraw/zinc/17/36/74/564173674.db2.gz KWDYNCLNTBFBMI-UHFFFAOYSA-N 0 0 333.096 5.071 50 30 EKEARN CCOc1ccc(N=C/C=C/C=C2/C=Cc3ccccc3N2C)cc1 ZINC000409415886 563976114 /nfs/dbraw/zinc/97/61/14/563976114.db2.gz BIDSKIQXFJAHMF-ANHUVNEGSA-N 0 0 330.431 5.391 50 30 EKEARN CCOc1ccc(N=C/C=C/C=C2\C=Cc3ccccc3N2C)cc1 ZINC000409415887 563976107 /nfs/dbraw/zinc/97/61/07/563976107.db2.gz BIDSKIQXFJAHMF-ONTFJJNTSA-N 0 0 330.431 5.391 50 30 EKEARN CN1c2ccccc2C=C/C1=C\C=C\C=Nc1cccc2ccccc21 ZINC000409415888 563976125 /nfs/dbraw/zinc/97/61/25/563976125.db2.gz DNQCIQAVKRGCEA-DBGHPRNGSA-N 0 0 336.438 6.145 50 30 EKEARN CN1c2ccccc2C=C/C1=C\C=C/C=Nc1cccc2ccccc21 ZINC000409415889 563976122 /nfs/dbraw/zinc/97/61/22/563976122.db2.gz DNQCIQAVKRGCEA-GEEHEUORSA-N 0 0 336.438 6.145 50 30 EKEARN CN1c2ccccc2C=C/C1=C\C=C\C=Nc1ccc2ccccc2c1 ZINC000409415896 563976140 /nfs/dbraw/zinc/97/61/40/563976140.db2.gz IXPQPESCRPTHKT-GAZCRDPESA-N 0 0 336.438 6.145 50 30 EKEARN CN1c2ccccc2C=C/C1=C\C=C/C=Nc1ccc2ccccc2c1 ZINC000409415897 563976135 /nfs/dbraw/zinc/97/61/35/563976135.db2.gz IXPQPESCRPTHKT-MKKUJURGSA-N 0 0 336.438 6.145 50 30 EKEARN N#Cc1nc(-c2ccccc2)oc1NCCc1cccc2ccccc21 ZINC000526052205 564108670 /nfs/dbraw/zinc/10/86/70/564108670.db2.gz FFVOBVWDKPPGEL-UHFFFAOYSA-N 0 0 339.398 5.021 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)N[C@H](c1ccccc1)C=C2c1ccccc1 ZINC000585145582 564080830 /nfs/dbraw/zinc/08/08/30/564080830.db2.gz RUVDWWJBUMIWJU-IBGZPJMESA-N 0 0 329.443 5.058 50 30 EKEARN CC1(C)CC(=O)C2=C(C1)N[C@@H](c1ccccc1)C=C2c1ccccc1 ZINC000585145583 564080875 /nfs/dbraw/zinc/08/08/75/564080875.db2.gz RUVDWWJBUMIWJU-LJQANCHMSA-N 0 0 329.443 5.058 50 30 EKEARN CCCCC1CCC(c2nc(C#N)c(N(C)C3CCCCC3)o2)CC1 ZINC000585152241 563974306 /nfs/dbraw/zinc/97/43/06/563974306.db2.gz FTIGNCTUYBOJSD-UHFFFAOYSA-N 0 0 343.515 5.779 50 30 EKEARN