smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2ccccc2O[C@@H](c2ccccc2)/C1=C/c1ccc(Cl)cc1 ZINC000000135118 201438721 /nfs/dbraw/zinc/43/87/21/201438721.db2.gz GKLOKWXEPRNITG-SLTDHEAWSA-N 0 0 346.813 5.740 10 30 EKEERN O=C1c2ccccc2O[C@H](c2ccccc2)/C1=C/c1ccc(Cl)cc1 ZINC000000135121 209442938 /nfs/dbraw/zinc/44/29/38/209442938.db2.gz GKLOKWXEPRNITG-PGPKDTDWSA-N 0 0 346.813 5.740 10 30 EKEERN N#Cc1ccc(-c2csc(-c3cc(Cl)nc(Cl)c3)n2)cc1 ZINC000000165904 209461074 /nfs/dbraw/zinc/46/10/74/209461074.db2.gz ASGHPLTXFPBKTR-UHFFFAOYSA-N 0 0 332.215 5.051 10 30 EKEERN Cc1[nH]c2ccccc2c1/C=N/c1ccc(C(=O)c2ccccc2)cc1 ZINC000000267862 563990005 /nfs/dbraw/zinc/99/00/05/563990005.db2.gz JURNWQGTZSULME-BUVRLJJBSA-N 0 0 338.410 5.458 10 30 EKEERN COc1ccc2ccccc2c1/C=N/c1ccc(Cl)c(Cl)c1 ZINC000000298017 209523379 /nfs/dbraw/zinc/52/33/79/209523379.db2.gz JRFWBICFXUZKBG-SRZZPIQSSA-N 0 0 330.214 5.906 10 30 EKEERN Cc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)o1 ZINC000000510942 563339700 /nfs/dbraw/zinc/33/97/00/563339700.db2.gz YUYVIENTPCINTC-CIAFOILYSA-N 0 0 332.428 5.924 10 30 EKEERN Cc1c(/N=C\c2c3ccccc3cc3ccccc23)cccc1[N+](=O)[O-] ZINC000000524562 201483156 /nfs/dbraw/zinc/48/31/56/201483156.db2.gz SSJYMQFJTGPOBY-UCQKPKSFSA-N 0 0 340.382 5.960 10 30 EKEERN O=[N+]([O-])c1ccc(F)c(/N=C\c2c3ccccc3cc3ccccc23)c1 ZINC000000524582 209646159 /nfs/dbraw/zinc/64/61/59/209646159.db2.gz IMDQQBGKTGNIEG-QRVIBDJDSA-N 0 0 344.345 5.791 10 30 EKEERN O=C(C=CNc1cccc(C(F)(F)F)c1)c1sccc1Cl ZINC000001397742 201358427 /nfs/dbraw/zinc/35/84/27/201358427.db2.gz SBEBWLLBZFFKBY-XQRVVYSFSA-N 0 0 331.746 5.229 10 30 EKEERN O=C(C=CNc1ccc(OC(F)(F)F)cc1)c1sccc1Cl ZINC000001401697 527653138 /nfs/dbraw/zinc/65/31/38/527653138.db2.gz LEAIFAUYVHNCDV-ALCCZGGFSA-N 0 0 347.745 5.109 10 30 EKEERN Cc1cc(C)c(O)c(/N=C/c2c3ccccc3cc3ccccc32)c1 ZINC000001500859 209755118 /nfs/dbraw/zinc/75/51/18/209755118.db2.gz FXBYDBFFNKUDLX-ZVHZXABRSA-N 0 0 325.411 6.066 10 30 EKEERN CCCCCCCCOc1ccc(/N=C/c2ccc(C#N)cc2)cc1 ZINC000002384773 257911433 /nfs/dbraw/zinc/91/14/33/257911433.db2.gz GHEOCRUPTSCQLY-HKOYGPOVSA-N 0 0 334.463 6.048 10 30 EKEERN CCCCCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000002562395 258050001 /nfs/dbraw/zinc/05/00/01/258050001.db2.gz HTFJJKMPGKQQNM-UHFFFAOYSA-N 0 0 330.424 5.148 10 30 in-vitro EKEERN Cc1onc(-c2c(Cl)cccc2Cl)c1/C=N/N=C/c1ccco1 ZINC000002576647 209870448 /nfs/dbraw/zinc/87/04/48/209870448.db2.gz CCINTZCABCTFDS-PQEHHWQQSA-N 0 0 348.189 5.003 10 30 EKEERN C=CCc1ccccc1OCC(=O)Oc1ccccc1-c1ccccc1 ZINC000002610029 209873459 /nfs/dbraw/zinc/87/34/59/209873459.db2.gz RRRUKTCBNNGCOQ-UHFFFAOYSA-N 0 0 344.410 5.067 10 30 EKEERN O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc(NC3CCCCC3)cc2)cc1 ZINC000003077106 563471249 /nfs/dbraw/zinc/47/12/49/563471249.db2.gz KIGQMUKVOFGZOE-NKVBAXCQSA-N 0 0 349.434 5.755 10 30 EKEERN CCCCN1C=C(c2ccc3ccccc3n2)[C@H](C#N)c2ccccc21 ZINC000003097979 135659452 /nfs/dbraw/zinc/65/94/52/135659452.db2.gz NMVJTXYGYRBJCK-LJQANCHMSA-N 0 0 339.442 5.503 10 30 EKEERN CCCCCCCCNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000003168045 209972376 /nfs/dbraw/zinc/97/23/76/209972376.db2.gz KRGXHTQEYIRKGM-QFIPXVFZSA-N 0 0 349.518 5.469 10 30 EKEERN O=[N+]([O-])c1ccc(OC(F)F)c(/C=N/c2ccc3ccccc3c2)c1 ZINC000003181208 209974090 /nfs/dbraw/zinc/97/40/90/209974090.db2.gz FBTPUACSCVXCSB-SRZZPIQSSA-N 0 0 342.301 5.100 10 30 EKEERN O=[N+]([O-])c1cc(/N=C/c2cccnc2)cc2ccc3ccccc3c21 ZINC000003196710 209976505 /nfs/dbraw/zinc/97/65/05/209976505.db2.gz WETRFYXAGSYSNR-LPYMAVHISA-N 0 0 327.343 5.047 10 30 EKEERN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccc3ccccc32)c1 ZINC000003217859 209979242 /nfs/dbraw/zinc/97/92/42/209979242.db2.gz JAXPZBLWDWWNRK-UHFFFAOYSA-N 0 0 344.458 5.930 10 30 EKEERN N#Cc1c(Cl)c(C#N)c(Nc2ccc(Cl)cc2)c(C#N)c1Cl ZINC000003607219 210064610 /nfs/dbraw/zinc/06/46/10/210064610.db2.gz UIHIWOYUDREUCS-UHFFFAOYSA-N 0 0 347.592 5.005 10 30 EKEERN N#Cc1c(Cl)c(C#N)c(Nc2cccc(Cl)c2)c(C#N)c1Cl ZINC000003607220 210065037 /nfs/dbraw/zinc/06/50/37/210065037.db2.gz UEEQECXNYDDYIS-UHFFFAOYSA-N 0 0 347.592 5.005 10 30 EKEERN CCCCCOc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1 ZINC000003666053 520250217 /nfs/dbraw/zinc/25/02/17/520250217.db2.gz HOIVKNBPVWBRNZ-ZBJSNUHESA-N 0 0 335.403 5.015 10 30 EKEERN C=C1CCCC(C)(C)[C@@H]1Cc1cc(OC)c(Br)cc1O ZINC000003833829 210078147 /nfs/dbraw/zinc/07/81/47/210078147.db2.gz NHOGRLKDZYGUSJ-CYBMUJFWSA-N 0 0 339.273 5.088 10 30 EKEERN C=C(C)C(=O)Nc1ccc(NN=C2c3ccccc3C=CC2=O)cc1 ZINC000003896932 210086455 /nfs/dbraw/zinc/08/64/55/210086455.db2.gz QYNKUFAZSZTWQI-GHVJWSGMSA-N 0 0 331.375 5.475 10 30 EKEERN Cc1ccc(NC=CC(=O)c2cnc(-c3ccccc3)s2)c(C)c1 ZINC000004051970 201360966 /nfs/dbraw/zinc/36/09/66/201360966.db2.gz SELVFFVGXMOFAW-KHPPLWFESA-N 0 0 334.444 5.235 10 30 EKEERN O=C(C=CNc1ccc(F)cc1F)c1cc(Cl)sc1Cl ZINC000004091726 257838202 /nfs/dbraw/zinc/83/82/02/257838202.db2.gz RZOLIBZJWYVNDV-ARJAWSKDSA-N 0 0 334.174 5.142 10 30 EKEERN C=CCc1ccccc1Oc1cc(C=O)cc(OC)c1OCCCC ZINC000004227240 210148208 /nfs/dbraw/zinc/14/82/08/210148208.db2.gz QEFPFYGHJVAXND-UHFFFAOYSA-N 0 0 340.419 5.207 10 30 EKEERN CC(C)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000004276643 210160141 /nfs/dbraw/zinc/16/01/41/210160141.db2.gz RQZOCBGMOCBGMA-BJMVGYQFSA-N 0 0 335.230 5.677 10 30 EKEERN O=C(/C=C/c1cccc2ccccc12)c1ccc(-c2ccccc2)cc1 ZINC000004276682 210160174 /nfs/dbraw/zinc/16/01/74/210160174.db2.gz ZFZAYVVVWCCISH-ISLYRVAYSA-N 0 0 334.418 6.403 10 30 EKEERN Cc1cc(C(=O)/C=C/c2c(Cl)cccc2Cl)ccc1Cl ZINC000004276753 210159829 /nfs/dbraw/zinc/15/98/29/210159829.db2.gz MKRFMIVBRIFCRY-SOFGYWHQSA-N 0 0 325.622 5.851 10 30 EKEERN COc1cccc(C(=O)/C=C/c2c3ccccc3cc3ccccc32)c1 ZINC000004277057 210159395 /nfs/dbraw/zinc/15/93/95/210159395.db2.gz ZTGGZWGYZYLMOH-BUHFOSPRSA-N 0 0 338.406 5.898 10 30 EKEERN O=C(/C=C/c1c2ccccc2cc2ccccc21)c1ccc(F)cc1 ZINC000004277060 210160203 /nfs/dbraw/zinc/16/02/03/210160203.db2.gz JTADJKXBLJASCW-BUHFOSPRSA-N 0 0 326.370 6.028 10 30 EKEERN c1ccc([C@H]2O[C@H]2[C@]2(c3ccccc3)Nc3ccccc3S2)cc1 ZINC000004277134 210159205 /nfs/dbraw/zinc/15/92/05/210159205.db2.gz ZEUYIQIOKFNOJX-NJDAHSKKSA-N 0 0 331.440 5.197 10 30 EKEERN c1ccc([C@@H]2O[C@H]2[C@]2(c3ccccc3)Nc3ccccc3S2)cc1 ZINC000004277135 210159389 /nfs/dbraw/zinc/15/93/89/210159389.db2.gz ZEUYIQIOKFNOJX-PWRODBHTSA-N 0 0 331.440 5.197 10 30 EKEERN c1ccc([C@@H]2O[C@@H]2[C@]2(c3ccccc3)Nc3ccccc3S2)cc1 ZINC000004277136 210159150 /nfs/dbraw/zinc/15/91/50/210159150.db2.gz ZEUYIQIOKFNOJX-PCCBWWKXSA-N 0 0 331.440 5.197 10 30 EKEERN Clc1cc(C(=NNc2ccccc2)c2ccccc2)cc(Cl)n1 ZINC000004277467 210159480 /nfs/dbraw/zinc/15/94/80/210159480.db2.gz ZKCKLQKTJRPURN-NKFKGCMQSA-N 0 0 342.229 5.253 10 30 EKEERN O=C(/C=C/c1cccc(Cl)c1)c1ccc2ccc3ccccc3c2c1 ZINC000004280530 210161082 /nfs/dbraw/zinc/16/10/82/210161082.db2.gz ALSSJJSVZAXYOI-MDWZMJQESA-N 0 0 342.825 6.543 10 30 EKEERN O=C(/C=C/c1ccc(Cl)cc1)c1ccc2ccc3ccccc3c2c1 ZINC000004280538 210161121 /nfs/dbraw/zinc/16/11/21/210161121.db2.gz VSUQVHMGSVGZBO-VGOFMYFVSA-N 0 0 342.825 6.543 10 30 EKEERN C=CCn1c(SCc2cccc(C)c2)nnc1C1CCCCC1 ZINC000004373199 519241496 /nfs/dbraw/zinc/24/14/96/519241496.db2.gz OZMLFJSHPLDRRG-UHFFFAOYSA-N 0 0 327.497 5.113 10 30 EKEERN C(=N\c1ccc(/N=N/c2ccccc2)cc1)\c1ccc2ccccc2c1 ZINC000004592272 210228702 /nfs/dbraw/zinc/22/87/02/210228702.db2.gz YTLPSTCQUJXFDU-LHCMUGKRSA-N 0 0 335.410 7.006 10 30 EKEERN N#Cc1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 ZINC000004718476 210258045 /nfs/dbraw/zinc/25/80/45/210258045.db2.gz AKZIBHBZJUMNBD-PTAUBWNISA-N 0 0 341.241 5.692 10 30 EKEERN N#Cc1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 ZINC000004718479 210257673 /nfs/dbraw/zinc/25/76/73/210257673.db2.gz AKZIBHBZJUMNBD-BBEJJTJUSA-N 0 0 341.241 5.692 10 30 EKEERN CSc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1 ZINC000004920186 525951097 /nfs/dbraw/zinc/95/10/97/525951097.db2.gz AMFINTJNPQVFOE-CJLVFECKSA-N 0 0 332.472 5.449 10 30 EKEERN CCOc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1 ZINC000004926194 520851629 /nfs/dbraw/zinc/85/16/29/520851629.db2.gz LJTDLVQOYQPWQP-HAVVHWLPSA-N 0 0 330.431 5.126 10 30 EKEERN CCCCCCN(CCCCCC)CC(=O)[C@@H](C#N)c1ccccc1 ZINC000004931771 210327419 /nfs/dbraw/zinc/32/74/19/210327419.db2.gz JWMRSOCUKCCBTD-NRFANRHFSA-N 0 0 342.527 5.325 10 30 EKEERN CCCCCCN(CCCCCC)CC(=O)[C@H](C#N)c1ccccc1 ZINC000004931776 520075128 /nfs/dbraw/zinc/07/51/28/520075128.db2.gz JWMRSOCUKCCBTD-OAQYLSRUSA-N 0 0 342.527 5.325 10 30 EKEERN Cc1ccc(NN=Cc2cccc(Oc3ccccc3)c2)cc1Cl ZINC000004933274 524913951 /nfs/dbraw/zinc/91/39/51/524913951.db2.gz GWXUEKHPBCUNFV-HYARGMPZSA-N 0 0 336.822 5.887 10 30 EKEERN C(=N/c1ccc(/N=N/c2ccccc2)cc1)\c1ccc2c(c1)OCO2 ZINC000004949500 210337912 /nfs/dbraw/zinc/33/79/12/210337912.db2.gz IYTPMKDGENWPJY-LAMRRIJQSA-N 0 0 329.359 5.581 10 30 EKEERN Cc1[nH]c2ccccc2c1/C=N/c1ccc(C)c(Br)c1 ZINC000004957827 210338855 /nfs/dbraw/zinc/33/88/55/210338855.db2.gz OXQOLGXIJNCTJU-VXLYETTFSA-N 0 0 327.225 5.298 10 30 EKEERN O=[N+]([O-])c1cc(F)ccc1/N=C/c1c2ccccc2cc2ccccc12 ZINC000004964249 210341510 /nfs/dbraw/zinc/34/15/10/210341510.db2.gz BTBGLMNVBYSTPH-YDZHTSKRSA-N 0 0 344.345 5.791 10 30 EKEERN Cc1cc([N+](=O)[O-])ccc1/N=C/C(Br)=C/c1ccccc1 ZINC000004985300 210349967 /nfs/dbraw/zinc/34/99/67/210349967.db2.gz DRKBBOMRKFRLRB-FJYMYNMMSA-N 0 0 345.196 5.042 10 30 EKEERN O=[N+]([O-])c1ccccc1/N=C/c1c2ccccc2cc2ccccc21 ZINC000004991849 210352780 /nfs/dbraw/zinc/35/27/80/210352780.db2.gz SGGKUFMUFXLEIP-HYARGMPZSA-N 0 0 326.355 5.652 10 30 EKEERN CCN(CC)c1ccc(/N=N/c2c(C#N)cc(C)cc2C#N)c(C)c1 ZINC000005139386 210398925 /nfs/dbraw/zinc/39/89/25/210398925.db2.gz JZTRIZGUGUEXRN-WCWDXBQESA-N 0 0 331.423 5.308 10 30 EKEERN Cc1csc2sc(C(=O)/C=C/c3ccc(Cl)cc3)c(C)c12 ZINC000005218862 210417222 /nfs/dbraw/zinc/41/72/22/210417222.db2.gz JEQTYUGJBYNBMX-VMPITWQZSA-N 0 0 332.877 6.129 10 30 EKEERN O=C1c2c(cccc2F)[C@@H](c2ccccc2)C1=CNc1ccc(F)cc1 ZINC000005224632 537694403 /nfs/dbraw/zinc/69/44/03/537694403.db2.gz JYUPBYGTDSQHTH-ITICKHJUSA-N 0 0 347.364 5.289 10 30 EKEERN C=CCSc1nc(=O)c2c(-c3ccc(C(C)C)cc3)csc2[nH]1 ZINC000005238811 210419444 /nfs/dbraw/zinc/41/94/44/210419444.db2.gz FRXFCMWXLFQQHV-UHFFFAOYSA-N 0 0 342.489 5.053 10 30 EKEERN CCCCC/C(=N\NC(=S)Nc1ccc(C)cc1)c1ccccc1 ZINC000005244289 519916236 /nfs/dbraw/zinc/91/62/36/519916236.db2.gz QSFHRWHBAXDNHI-ZBJSNUHESA-N 0 0 339.508 5.266 10 30 EKEERN CSc1ccc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000005275142 210431734 /nfs/dbraw/zinc/43/17/34/210431734.db2.gz HQFRIWZOUPTYNO-QYINSJCOSA-N 0 0 331.444 6.575 10 30 EKEERN Cc1cc(C)c(/C=C/C(=O)c2ccc(Br)cc2)c(C)c1 ZINC000005276974 210431825 /nfs/dbraw/zinc/43/18/25/210431825.db2.gz IUDIYKYYTIXWHA-CMDGGOBGSA-N 0 0 329.237 5.270 10 30 EKEERN O=C(/C=C/c1ccccc1)c1ccc(Cl)cc1OCc1ccccc1 ZINC000005279053 527633456 /nfs/dbraw/zinc/63/34/56/527633456.db2.gz LJYHBDMOEFLGAD-SDNWHVSQSA-N 0 0 348.829 5.815 10 30 EKEERN O=C(/C=C/c1ccccc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000005279066 527634261 /nfs/dbraw/zinc/63/42/61/527634261.db2.gz LYNJGZMPOZPNNL-ACCUITESSA-N 0 0 348.829 5.815 10 30 EKEERN N#Cc1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000005279081 526586021 /nfs/dbraw/zinc/58/60/21/526586021.db2.gz IKUPYUHMOOUIOE-CCEZHUSRSA-N 0 0 339.394 5.033 10 30 EKEERN O=C(/C=C/c1ccc(Cl)cc1)c1ccccc1OCc1ccccc1 ZINC000005279085 527607977 /nfs/dbraw/zinc/60/79/77/527607977.db2.gz ZPJNRYQGWSFIDM-NTCAYCPXSA-N 0 0 348.829 5.815 10 30 EKEERN O=C(/C=C/c1ccc(F)cc1)c1ccccc1OCc1ccccc1 ZINC000005279086 527611399 /nfs/dbraw/zinc/61/13/99/527611399.db2.gz XIFOFPZBOLEZLQ-NTCAYCPXSA-N 0 0 332.374 5.301 10 30 EKEERN O=C(/C=C/c1cccc(Cl)c1)c1ccccc1OCc1ccccc1 ZINC000005279095 527625423 /nfs/dbraw/zinc/62/54/23/527625423.db2.gz CBESVJMWDYYCIO-BUHFOSPRSA-N 0 0 348.829 5.815 10 30 EKEERN O=C(/C=C/c1ccccc1Cl)c1ccccc1OCc1ccccc1 ZINC000005279098 527635561 /nfs/dbraw/zinc/63/55/61/527635561.db2.gz AIHNBFJDLWNCER-CCEZHUSRSA-N 0 0 348.829 5.815 10 30 EKEERN O=C(/C=C/c1sccc1Oc1ccccc1)c1ccc(Cl)cc1 ZINC000005279515 527650374 /nfs/dbraw/zinc/65/03/74/527650374.db2.gz FTTBSDFYQAREHZ-ZHACJKMWSA-N 0 0 340.831 6.090 10 30 EKEERN CC(C)c1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1 ZINC000005294914 563525572 /nfs/dbraw/zinc/52/55/72/563525572.db2.gz NETLITUNMZOVKY-LFYBBSHMSA-N 0 0 329.237 5.469 10 30 EKEERN CCCCOc1ccc(C(=O)/C=C/c2ccco2)cc1OCCCC ZINC000005298482 520856725 /nfs/dbraw/zinc/85/67/25/520856725.db2.gz LMXDCBGGKKDPQE-ZHACJKMWSA-N 0 0 342.435 5.534 10 30 EKEERN CCCc1cc(OC)c(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC ZINC000005313625 521384854 /nfs/dbraw/zinc/38/48/54/521384854.db2.gz GFVAFCFNRTUCSS-DHZHZOJOSA-N 0 0 344.838 5.206 10 30 EKEERN CCCc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)c(OC)c1OC ZINC000005313639 563526102 /nfs/dbraw/zinc/52/61/02/563526102.db2.gz IXWCEQCGYPXVFQ-JLHYYAGUSA-N 0 0 344.838 5.206 10 30 EKEERN CCOc1c(C(=O)/C=C/c2ccccc2[N+](=O)[O-])ccc2ccccc21 ZINC000005316632 563526471 /nfs/dbraw/zinc/52/64/71/563526471.db2.gz USRFQQYFEZQPBH-WYMLVPIESA-N 0 0 347.370 5.043 10 30 EKEERN CCOc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1OCC ZINC000005316937 563526374 /nfs/dbraw/zinc/52/63/74/563526374.db2.gz QRLGXIPFKCLKAO-YRNVUSSQSA-N 0 0 330.811 5.034 10 30 EKEERN COc1c(Cl)cc(Cl)cc1C=NNc1ccc2ccccc2c1 ZINC000005320434 563526490 /nfs/dbraw/zinc/52/64/90/563526490.db2.gz GPODHSRFNGDSJE-SRZZPIQSSA-N 0 0 345.229 5.601 10 30 EKEERN COc1ccc(/C=C/C(=O)c2ccc(C#Cc3ccccc3)s2)cc1 ZINC000005358616 210448924 /nfs/dbraw/zinc/44/89/24/210448924.db2.gz HTBAZAXCCLQTJH-XNTDXEJSSA-N 0 0 344.435 5.053 10 30 EKEERN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccccc2Cl)c1 ZINC000005377745 210452666 /nfs/dbraw/zinc/45/26/66/210452666.db2.gz RIYGOILWUZNALZ-UHFFFAOYSA-N 0 0 328.843 5.430 10 30 EKEERN Cc1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000005380177 525952772 /nfs/dbraw/zinc/95/27/72/525952772.db2.gz SNVMHRUWKSPZTJ-FOCLMDBBSA-N 0 0 328.411 5.470 10 30 EKEERN O=C1c2ccccc2/C(=N\c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000005515340 563536107 /nfs/dbraw/zinc/53/61/07/563536107.db2.gz FZJSEMQUCOHLHA-VKQKAZQBSA-N 0 0 331.802 5.441 10 30 EKEERN O=C1c2ccccc2/C(=N\c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000005515342 563536138 /nfs/dbraw/zinc/53/61/38/563536138.db2.gz FZJSEMQUCOHLHA-YFJJEWJYSA-N 0 0 331.802 5.441 10 30 EKEERN C=C[C@@H]([C@@H](Nc1ccccc1)c1ccccc1)n1nnc2ccccc21 ZINC000005517778 210480505 /nfs/dbraw/zinc/48/05/05/210480505.db2.gz VWAZMZYQBXDPLF-UNMCSNQZSA-N 0 0 340.430 5.012 10 30 EKEERN C=C[C@H]([C@@H](Nc1ccccc1)c1ccccc1)n1nnc2ccccc21 ZINC000005517803 210480805 /nfs/dbraw/zinc/48/08/05/210480805.db2.gz VWAZMZYQBXDPLF-IRLDBZIGSA-N 0 0 340.430 5.012 10 30 EKEERN N#Cc1sc2c(nc(-c3ccccc3)cc2-c2ccccc2)c1N ZINC000005589937 564005931 /nfs/dbraw/zinc/00/59/31/564005931.db2.gz LNLMCOOQCRBLKB-UHFFFAOYSA-N 0 0 327.412 5.084 10 30 EKEERN O/N=C/c1ccc(-c2ccc(-c3ccc4ccccc4n3)s2)s1 ZINC000005590260 563541508 /nfs/dbraw/zinc/54/15/08/563541508.db2.gz MNDYYXDRGBFSPR-YBFXNURJSA-N 0 0 336.441 5.500 10 30 EKEERN CC(N=Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1O ZINC000005620764 563543273 /nfs/dbraw/zinc/54/32/73/563543273.db2.gz KOGRDDVBRZAHKK-LSCVHKIXSA-N 0 0 329.614 5.189 10 30 EKEERN O=[N+]([O-])c1ccc(NN=Cc2c3ccccc3cc3ccccc32)cc1 ZINC000005669500 210511238 /nfs/dbraw/zinc/51/12/38/210511238.db2.gz KGKWUQLSWCNTBX-HYARGMPZSA-N 0 0 341.370 5.347 10 30 EKEERN O=C(/C=C/c1ccc(Br)cc1)c1ccc2ccccc2c1 ZINC000005669930 564078686 /nfs/dbraw/zinc/07/86/86/564078686.db2.gz KDMYGWILLOEVQB-KPKJPENVSA-N 0 0 337.216 5.498 10 30 EKEERN COC(=O)c1ccccc1/N=C/[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000005735270 522257061 /nfs/dbraw/zinc/25/70/61/522257061.db2.gz RBAUBIIMPLZNGC-PFRBSUFTSA-N 0 0 337.463 5.352 10 30 EKEERN COC(=O)c1ccccc1/N=C/[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000005751557 522256680 /nfs/dbraw/zinc/25/66/80/522256680.db2.gz RBAUBIIMPLZNGC-LGVXEURYSA-N 0 0 337.463 5.352 10 30 EKEERN CSc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000005785701 563999731 /nfs/dbraw/zinc/99/97/31/563999731.db2.gz TVJVMQFEXAKJRZ-QGMBQPNBSA-N 0 0 345.682 5.815 10 30 EKEERN CCC1CCC(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC000005819535 210542602 /nfs/dbraw/zinc/54/26/02/210542602.db2.gz OYZITXKNUGHHKV-UHFFFAOYSA-N 0 0 333.431 5.347 10 30 EKEERN CCCCCCC(/C=N\c1ccccc1C(=O)OC)=C/c1ccccc1 ZINC000005820194 519949085 /nfs/dbraw/zinc/94/90/85/519949085.db2.gz XTFDJRLNMKZPCR-NOISZIPZSA-N 0 0 349.474 6.230 10 30 EKEERN C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1OC ZINC000005821079 210541607 /nfs/dbraw/zinc/54/16/07/210541607.db2.gz IPGGELGANIXRSX-RBUKOAKNSA-N 0 0 328.496 6.150 10 30 EKEERN C/C(=N\c1sc2c(c1C#N)CCCCC2)c1ccc(Cl)s1 ZINC000005896022 563553260 /nfs/dbraw/zinc/55/32/60/563553260.db2.gz YZFBXBOFIJQEGF-VXLYETTFSA-N 0 0 334.897 5.744 10 30 EKEERN CCc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3OC)o2)cc1 ZINC000005954359 257838098 /nfs/dbraw/zinc/83/80/98/257838098.db2.gz WMSVXHXKLHTNPQ-WYMLVPIESA-N 0 0 332.399 5.414 10 30 EKEERN CCc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000005954360 563555947 /nfs/dbraw/zinc/55/59/47/563555947.db2.gz BJCHPNZHZSKFPP-ACCUITESSA-N 0 0 347.370 5.313 10 30 EKEERN CCOc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O ZINC000005967633 210568232 /nfs/dbraw/zinc/56/82/32/210568232.db2.gz CBDADPKAILECBR-PXNMLYILSA-N 0 0 335.186 5.008 10 30 EKEERN Clc1sc(/N=C/c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000006095651 210587418 /nfs/dbraw/zinc/58/74/18/210587418.db2.gz CZEUNDMCNFQDTP-VXLYETTFSA-N 0 0 333.243 5.868 10 30 EKEERN C[C@H]1CCc2c(C#N)c(NC(=O)CCC3CCCCC3)sc2C1 ZINC000006253623 201361573 /nfs/dbraw/zinc/36/15/73/201361573.db2.gz SOAOYQPQSTXKJB-ZDUSSCGKSA-N 0 0 330.497 5.044 10 30 EKEERN Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1 ZINC000006283874 526238253 /nfs/dbraw/zinc/23/82/53/526238253.db2.gz NKZWWLYMFCSYQB-LFIBNONCSA-N 0 0 342.394 5.110 10 30 EKEERN N#Cc1c2c(sc1/N=C/c1c(Cl)cccc1Cl)CCCCC2 ZINC000006328932 210619409 /nfs/dbraw/zinc/61/94/09/210619409.db2.gz HZCXRLHDSOKWKU-UFFVCSGVSA-N 0 0 349.286 5.946 10 30 EKEERN Cc1ccc2cc3c(nc2c1)-c1ccccc1/C3=N\C1CCCCC1 ZINC000012462688 211388523 /nfs/dbraw/zinc/38/85/23/211388523.db2.gz ZIIRBUUNZBYCQV-ZNTNEXAZSA-N 0 0 326.443 5.694 10 30 EKEERN CCN(CC)c1ccc(/N=N/c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000013466687 201896240 /nfs/dbraw/zinc/89/62/40/201896240.db2.gz IVFJVLJRIJBNGP-WCWDXBQESA-N 0 0 346.356 5.839 10 30 EKEERN C=CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(C)=O ZINC000013546253 201900527 /nfs/dbraw/zinc/90/05/27/201900527.db2.gz TZDPJVSOAZDLGP-NURQPWONSA-N 0 0 340.507 5.280 10 30 EKEERN CC(=O)c1c2cc(C#N)ccn2c(-c2ccccc2)c1-c1ccccc1 ZINC000013859733 201365727 /nfs/dbraw/zinc/36/57/27/201365727.db2.gz AVHXHHYJRCNTFQ-UHFFFAOYSA-N 0 0 336.394 5.348 10 30 EKEERN O=[N+]([O-])c1ccc(C(N=Nc2ccccc2)N=Nc2ccccc2)cc1 ZINC000015771995 563792195 /nfs/dbraw/zinc/79/21/95/563792195.db2.gz DLARSDSEYVUIBT-YMGPPEANSA-N 0 0 345.362 5.152 10 30 EKEERN C[C@@H](Nc1ccccc1C#N)c1cc2cc(Br)ccc2o1 ZINC000019921729 212083696 /nfs/dbraw/zinc/08/36/96/212083696.db2.gz ARPVHVFRPSMDSC-LLVKDONJSA-N 0 0 341.208 5.240 10 30 EKEERN C[C@H](Nc1ccccc1C#N)c1cc2cc(Br)ccc2o1 ZINC000019921731 212083501 /nfs/dbraw/zinc/08/35/01/212083501.db2.gz ARPVHVFRPSMDSC-NSHDSACASA-N 0 0 341.208 5.240 10 30 EKEERN C[C@@H](Nc1cccc(C#N)c1)c1cc2cc(Br)ccc2o1 ZINC000019922277 212083355 /nfs/dbraw/zinc/08/33/55/212083355.db2.gz JCDUGYBPRLUKJL-LLVKDONJSA-N 0 0 341.208 5.240 10 30 EKEERN C[C@H](Nc1cccc(C#N)c1)c1cc2cc(Br)ccc2o1 ZINC000019922279 212083653 /nfs/dbraw/zinc/08/36/53/212083653.db2.gz JCDUGYBPRLUKJL-NSHDSACASA-N 0 0 341.208 5.240 10 30 EKEERN C[C@@H](Nc1ccc(C#N)cc1)c1cc2cc(Br)ccc2o1 ZINC000019951394 212089176 /nfs/dbraw/zinc/08/91/76/212089176.db2.gz XCCZIRIRBXLVBI-LLVKDONJSA-N 0 0 341.208 5.240 10 30 EKEERN C[C@H](Nc1ccc(C#N)cc1)c1cc2cc(Br)ccc2o1 ZINC000019951398 212089591 /nfs/dbraw/zinc/08/95/91/212089591.db2.gz XCCZIRIRBXLVBI-NSHDSACASA-N 0 0 341.208 5.240 10 30 EKEERN CCCCC1CCC(C(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000019993894 212092873 /nfs/dbraw/zinc/09/28/73/212092873.db2.gz ZSIUSZCBENOBRO-UHFFFAOYSA-N 0 0 344.524 5.434 10 30 EKEERN CN(C)c1ccc(/C=C2/c3ccc4ccccc4c3SC2=O)cc1 ZINC000020215635 522131732 /nfs/dbraw/zinc/13/17/32/522131732.db2.gz LZYOLQHYQSOCNU-UYRXBGFRSA-N 0 0 331.440 5.079 10 30 EKEERN O=C1c2cccc3cccc(c23)/C1=C/c1ccc(Br)cc1 ZINC000020494378 212140736 /nfs/dbraw/zinc/14/07/36/212140736.db2.gz IRPFVLYHJRFGGX-BOPFTXTBSA-N 0 0 335.200 5.339 10 30 EKEERN CCC[C@@H]1CC[C@@H]2C[C@@H](OC(=O)c3ccc(C#N)cc3)CC[C@@H]2C1 ZINC000021981667 202076222 /nfs/dbraw/zinc/07/62/22/202076222.db2.gz JKVCNOBRCAVQPE-XLNTUCKNSA-N 0 0 325.452 5.100 10 30 EKEERN C=CCOc1c(Br)cc(C(C)(C)C)cc1Br ZINC000021997051 212268499 /nfs/dbraw/zinc/26/84/99/212268499.db2.gz CGMJYARWMHGBPS-UHFFFAOYSA-N 0 0 348.078 5.074 10 30 EKEERN CC(=O)O/N=C1\CCCc2c3ccc4cccc5ccc(cc21)c3c54 ZINC000022057479 212274530 /nfs/dbraw/zinc/27/45/30/212274530.db2.gz ZLZQKHOGIVFHOA-BSYVCWPDSA-N 0 0 327.383 5.188 10 30 in-vitro EKEERN C=CCCC(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000022330112 258016494 /nfs/dbraw/zinc/01/64/94/258016494.db2.gz BMJJFNCSGGOBND-UHFFFAOYSA-N 0 0 333.475 5.101 10 30 EKEERN N#CCCNC(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)s1 ZINC000022352639 212293425 /nfs/dbraw/zinc/29/34/25/212293425.db2.gz IUQKUSXICBFKNQ-UHFFFAOYSA-N 0 0 338.476 5.106 10 30 EKEERN C#CCN(C)C(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)s1 ZINC000022621360 518252895 /nfs/dbraw/zinc/25/28/95/518252895.db2.gz WEWGFHPVMZGLFI-UHFFFAOYSA-N 0 0 337.488 5.168 10 30 EKEERN C=C(C)CNC(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1 ZINC000022668170 212315729 /nfs/dbraw/zinc/31/57/29/212315729.db2.gz KNHMADMWZHIYRR-UHFFFAOYSA-N 0 0 349.455 5.513 10 30 EKEERN COc1ccc(C(N=Nc2ccccc2)N=Nc2ccccc2)cc1 ZINC000025559974 523536939 /nfs/dbraw/zinc/53/69/39/523536939.db2.gz FKTMYMAIOJZZLV-FOFZDOKDSA-N 0 0 330.391 5.253 10 30 EKEERN Cc1[nH]c2ccccc2c1/C=C\C(=O)c1ccc(Br)cc1 ZINC000027517244 564125416 /nfs/dbraw/zinc/12/54/16/564125416.db2.gz FYFBEBUIIBYCFK-KHPPLWFESA-N 0 0 340.220 5.135 10 30 EKEERN COc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000028466822 212620499 /nfs/dbraw/zinc/62/04/99/212620499.db2.gz NYGOSCWEGSOKNR-ZSOIEALJSA-N 0 0 344.410 5.267 10 30 EKEERN CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H]1CO1 ZINC000028710850 564152266 /nfs/dbraw/zinc/15/22/66/564152266.db2.gz SGFJJNBUMXQSMU-IWFQAGGASA-N 0 0 334.500 5.518 10 30 in-vitro EKEERN CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H]1CO1 ZINC000028710851 564152295 /nfs/dbraw/zinc/15/22/95/564152295.db2.gz SGFJJNBUMXQSMU-LVTNFWOSSA-N 0 0 334.500 5.518 10 30 in-vitro EKEERN CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H]1CO1 ZINC000028710852 202175326 /nfs/dbraw/zinc/17/53/26/202175326.db2.gz LOGTZDQTPQYKEN-GSNKCQISSA-N 0 0 336.516 5.742 10 30 in-vitro EKEERN CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H]1CO1 ZINC000028710853 212632967 /nfs/dbraw/zinc/63/29/67/212632967.db2.gz LOGTZDQTPQYKEN-KKFOGOCZSA-N 0 0 336.516 5.742 10 30 in-vitro EKEERN C=C(C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000029239779 202183613 /nfs/dbraw/zinc/18/36/13/202183613.db2.gz LTHSSAXQYWUZSB-UHFFFAOYSA-N 0 0 346.040 6.196 10 30 EKEERN COc1c(Cl)cc(Cl)cc1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000032152308 212792465 /nfs/dbraw/zinc/79/24/65/212792465.db2.gz RPBAIWPSJUSOIP-DAXSKMNVSA-N 0 0 341.621 5.552 10 30 EKEERN O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 ZINC000032272665 518198018 /nfs/dbraw/zinc/19/80/18/518198018.db2.gz LKRCMMSGFQSAPC-NTMALXAHSA-N 0 0 327.210 6.043 10 30 EKEERN Clc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000032513841 564072345 /nfs/dbraw/zinc/07/23/45/564072345.db2.gz DNKBHUSJDBZVTC-OCKHKDLRSA-N 0 0 348.258 5.563 10 30 EKEERN CC(C)(C)c1ccc(CN=Nc2nc3ccccc3nc2Cl)cc1 ZINC000032647135 212822288 /nfs/dbraw/zinc/82/22/88/212822288.db2.gz HSSGDKDPASVDAC-CIAFOILYSA-N 0 0 338.842 5.027 10 30 EKEERN CC[C@H](C)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000032647157 212822046 /nfs/dbraw/zinc/82/20/46/212822046.db2.gz UDUWRBSHWKXDFO-LBPRGKRZSA-N 0 0 339.822 5.142 10 30 EKEERN CCCCCCCCCCCCCCCC/C=C\OC[C@@H](O)CO ZINC000032839073 571744851 /nfs/dbraw/zinc/74/48/51/571744851.db2.gz WXWPBUKRBCYIMR-OGLOHFSISA-N 0 0 342.564 5.741 10 30 endogenous,in-man EKEERN Cc1ccccc1/C=C1\Oc2cc(OCc3ccccc3)ccc2C1=O ZINC000033323740 202258734 /nfs/dbraw/zinc/25/87/34/202258734.db2.gz GYBVOJUJGMRFLY-XKZIYDEJSA-N 0 0 342.394 5.190 10 30 EKEERN O=C1c2ccsc2SC/C1=C/c1ccc(Cl)cc1Cl ZINC000033337251 212929207 /nfs/dbraw/zinc/92/92/07/212929207.db2.gz TZXQLPCAHPJSBS-UITAMQMPSA-N 0 0 327.257 5.427 10 30 EKEERN O=C1c2ccsc2SC/C1=C/c1cccc(C(F)(F)F)c1 ZINC000033337253 202258888 /nfs/dbraw/zinc/25/88/88/202258888.db2.gz YSGFBHMWJRUKPY-POHAHGRESA-N 0 0 326.364 5.139 10 30 EKEERN CC(C)Oc1ccc(/C=C\C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000033373919 212931591 /nfs/dbraw/zinc/93/15/91/212931591.db2.gz RQZOCBGMOCBGMA-YHYXMXQVSA-N 0 0 335.230 5.677 10 30 EKEERN Cc1cc(C(=O)/C=C\c2c(Cl)cccc2Cl)ccc1Cl ZINC000033373939 202259247 /nfs/dbraw/zinc/25/92/47/202259247.db2.gz MKRFMIVBRIFCRY-VURMDHGXSA-N 0 0 325.622 5.851 10 30 EKEERN Cc1cc(C(=O)/C=C\c2cc(Br)cs2)ccc1Cl ZINC000033373944 202259315 /nfs/dbraw/zinc/25/93/15/202259315.db2.gz SGZVTCYTDIDUID-HYXAFXHYSA-N 0 0 341.657 5.369 10 30 EKEERN COc1ccc(C(=O)/C=C\c2c3ccccc3cc3ccccc32)cc1 ZINC000033374027 212930790 /nfs/dbraw/zinc/93/07/90/212930790.db2.gz DEGUZIIIXRXDKA-PFONDFGASA-N 0 0 338.406 5.898 10 30 EKEERN Cc1cc(C)c(C(=O)/C=C\c2ccccc2SC(C)(C)C)c(C)c1 ZINC000033374085 212930871 /nfs/dbraw/zinc/93/08/71/212930871.db2.gz VEJSJANBMQLXQQ-QXMHVHEDSA-N 0 0 338.516 6.399 10 30 EKEERN Cc1csc2sc(C(=O)/C=C\c3ccccc3Cl)c(C)c12 ZINC000033374258 212931075 /nfs/dbraw/zinc/93/10/75/212931075.db2.gz PYRUGIGHZCZEMX-FPLPWBNLSA-N 0 0 332.877 6.129 10 30 EKEERN Cc1csc2sc(C(=O)/C=C\c3ccc(Cl)cc3)c(C)c12 ZINC000033374259 202259524 /nfs/dbraw/zinc/25/95/24/202259524.db2.gz JEQTYUGJBYNBMX-YVMONPNESA-N 0 0 332.877 6.129 10 30 EKEERN O=C(/C=C\c1ccc(Cl)cc1)c1ccc(C#Cc2ccccc2)s1 ZINC000033376379 212931007 /nfs/dbraw/zinc/93/10/07/212931007.db2.gz OHVMMPMIOGYDAG-ZROIWOOFSA-N 0 0 348.854 5.697 10 30 EKEERN O=C(/C=C\c1sccc1Oc1ccccc1)c1ccc(Cl)cc1 ZINC000033376397 527660618 /nfs/dbraw/zinc/66/06/18/527660618.db2.gz FTTBSDFYQAREHZ-KHPPLWFESA-N 0 0 340.831 6.090 10 30 EKEERN COc1ccc(C(=O)/C=C\c2sccc2Oc2ccccc2)cc1 ZINC000033376398 523547427 /nfs/dbraw/zinc/54/74/27/523547427.db2.gz RMKRIECRQAFWAQ-QXMHVHEDSA-N 0 0 336.412 5.445 10 30 EKEERN O=C(/C=C\c1cccs1)c1ccc(C#CCC2CCCCC2)s1 ZINC000033376404 527658919 /nfs/dbraw/zinc/65/89/19/527658919.db2.gz TYOGGFOGRQPGBB-QBFSEMIESA-N 0 0 340.513 6.028 10 30 EKEERN O=C(/C=C\c1ccccc1Cl)c1ccc(C#Cc2ccccc2)cc1 ZINC000033376412 202259741 /nfs/dbraw/zinc/25/97/41/202259741.db2.gz SSUIJQHAMVDKLZ-MSUUIHNZSA-N 0 0 342.825 5.636 10 30 EKEERN O=C(/C=C/c1ccccc1Cl)c1ccc(C#Cc2ccccc2)cc1 ZINC000033376413 202259394 /nfs/dbraw/zinc/25/93/94/202259394.db2.gz SSUIJQHAMVDKLZ-WUKNDPDISA-N 0 0 342.825 5.636 10 30 EKEERN O=C(/C=C\c1c2ccccc2cc2ccccc21)c1ccc(F)cc1 ZINC000033376453 202259774 /nfs/dbraw/zinc/25/97/74/202259774.db2.gz JTADJKXBLJASCW-YPKPFQOOSA-N 0 0 326.370 6.028 10 30 EKEERN O=C(/C=C\c1c(F)cccc1Cl)/C=C\c1c(F)cccc1Cl ZINC000033376491 527654356 /nfs/dbraw/zinc/65/43/56/527654356.db2.gz LBUDJHCIGYIYFW-XOHWUJONSA-N 0 0 339.168 5.567 10 30 EKEERN O=C(/C=C/c1c(F)cccc1Cl)/C=C\c1c(F)cccc1Cl ZINC000033376492 527601913 /nfs/dbraw/zinc/60/19/13/527601913.db2.gz LBUDJHCIGYIYFW-FKJILZIQSA-N 0 0 339.168 5.567 10 30 EKEERN COc1cccc(OCc2ccccc2)c1C(=O)/C=C\c1ccccc1 ZINC000033376537 526236729 /nfs/dbraw/zinc/23/67/29/526236729.db2.gz YEYPTFXSFIQHEC-NXVVXOECSA-N 0 0 344.410 5.170 10 30 EKEERN COc1ccc(OCc2ccccc2)c(C(=O)/C=C\c2ccccc2)c1 ZINC000033376538 524974928 /nfs/dbraw/zinc/97/49/28/524974928.db2.gz WUJSGBUWXCYWQK-OWBHPGMISA-N 0 0 344.410 5.170 10 30 EKEERN COc1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000033376541 523435675 /nfs/dbraw/zinc/43/56/75/523435675.db2.gz CWHUJEIGYHNQKQ-SSZFMOIBSA-N 0 0 344.410 5.170 10 30 EKEERN N#Cc1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000033376542 526585704 /nfs/dbraw/zinc/58/57/04/526585704.db2.gz IKUPYUHMOOUIOE-PFONDFGASA-N 0 0 339.394 5.033 10 30 EKEERN O=C(/C=C\c1ccc(F)cc1)c1ccccc1OCc1ccccc1 ZINC000033376613 527654951 /nfs/dbraw/zinc/65/49/51/527654951.db2.gz XIFOFPZBOLEZLQ-QINSGFPZSA-N 0 0 332.374 5.301 10 30 EKEERN Cc1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000033376643 525962239 /nfs/dbraw/zinc/96/22/39/525962239.db2.gz SNVMHRUWKSPZTJ-NXVVXOECSA-N 0 0 328.411 5.470 10 30 EKEERN O=C(/C=C\c1cccc(Cl)c1)c1ccccc1OCc1ccccc1 ZINC000033376645 527656994 /nfs/dbraw/zinc/65/69/94/527656994.db2.gz CBESVJMWDYYCIO-YPKPFQOOSA-N 0 0 348.829 5.815 10 30 EKEERN O=C(/C=C\c1ccc(Cl)cc1)c1ccccc1OCc1ccccc1 ZINC000033376646 527654643 /nfs/dbraw/zinc/65/46/43/527654643.db2.gz ZPJNRYQGWSFIDM-QINSGFPZSA-N 0 0 348.829 5.815 10 30 EKEERN [N-]=[N+]=Nc1nnc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000033376676 202259509 /nfs/dbraw/zinc/25/95/09/202259509.db2.gz CFDLRIACYKTAEY-UHFFFAOYSA-N 0 0 349.397 6.419 10 30 EKEERN O=C(/C=C\c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 ZINC000033376698 202260015 /nfs/dbraw/zinc/26/00/15/202260015.db2.gz XJRACTZDWAQGCJ-GHXNOFRVSA-N 0 0 326.317 5.755 10 30 EKEERN O=C(/C=C\c1ccc(Cl)cc1)c1ccc2ccc3ccccc3c2c1 ZINC000033378791 202259134 /nfs/dbraw/zinc/25/91/34/202259134.db2.gz VSUQVHMGSVGZBO-AUWJEWJLSA-N 0 0 342.825 6.543 10 30 EKEERN Cc1ccc(/C=C2/C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1 ZINC000033381365 202259532 /nfs/dbraw/zinc/25/95/32/202259532.db2.gz DEBBLGGDMHHGMC-HVQRGMKJSA-N 0 0 326.395 5.395 10 30 EKEERN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2C=Cc1ccccc1 ZINC000033385588 202259677 /nfs/dbraw/zinc/25/96/77/202259677.db2.gz ULEUBMBYHWIWGB-HSNDNRACSA-N 0 0 344.458 5.249 10 30 EKEERN Cc1ccc(-c2csc(N=NCc3ccccc3Cl)n2)cc1 ZINC000033394577 212933062 /nfs/dbraw/zinc/93/30/62/212933062.db2.gz ZHVTYWAYWNSWFR-GRSHGNNSSA-N 0 0 327.840 5.218 10 30 EKEERN Clc1ccc(-c2csc(N=NCc3ccccc3Cl)n2)cc1 ZINC000033394585 202260671 /nfs/dbraw/zinc/26/06/71/202260671.db2.gz OZCBDHRAOWOSMS-OCKHKDLRSA-N 0 0 348.258 5.563 10 30 EKEERN COc1cccc(C(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c1 ZINC000033410653 525779256 /nfs/dbraw/zinc/77/92/56/525779256.db2.gz YRUQZSMVYPPMEO-QINSGFPZSA-N 0 0 344.410 5.170 10 30 EKEERN O=C1c2[nH]c3ccccc3c2CC/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000033493008 212943000 /nfs/dbraw/zinc/94/30/00/212943000.db2.gz SZTKXEYPKPTESW-XFXZXTDPSA-N 0 0 342.225 5.687 10 30 EKEERN Cc1cccc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)c1 ZINC000033513933 212947501 /nfs/dbraw/zinc/94/75/01/212947501.db2.gz PXOOXHXIPINGPW-XKZIYDEJSA-N 0 0 342.394 5.190 10 30 EKEERN CC(C)c1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000033607723 202268254 /nfs/dbraw/zinc/26/82/54/202268254.db2.gz PYFKNLQRSXRKNV-HNNXBMFYSA-N 0 0 349.217 5.680 10 30 EKEERN O=C1c2cccc3cccc(c23)/C1=C/c1ccc(-c2ccccc2)cc1 ZINC000033627727 212957032 /nfs/dbraw/zinc/95/70/32/212957032.db2.gz UAJIQGFXSYNTFB-KQWNVCNZSA-N 0 0 332.402 6.244 10 30 EKEERN Clc1ccc(C(N=Nc2ccccc2)N=Nc2ccccc2)cc1 ZINC000033710695 212960434 /nfs/dbraw/zinc/96/04/34/212960434.db2.gz GGXMARXENIIWPQ-TXMOOUMZSA-N 0 0 334.810 5.898 10 30 EKEERN CCn1c2ccccc2c2cc(/C=N\N(C)c3ccccc3)ccc21 ZINC000033761409 202268710 /nfs/dbraw/zinc/26/87/10/202268710.db2.gz QYXUHIZLHNDFJT-KQWNVCNZSA-N 0 0 327.431 5.285 10 30 EKEERN C=C(C)/C=C/C/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc21 ZINC000033832263 291013739 /nfs/dbraw/zinc/01/37/39/291013739.db2.gz SFUVOLKWTCFJSX-YUQKSTFXSA-N 0 0 336.387 5.387 10 30 biogenic,in-vitro EKEERN COc1ccc(/C=C\C(=O)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000033869582 202270706 /nfs/dbraw/zinc/27/07/06/202270706.db2.gz LZXORKTZCZWVTF-DAXSKMNVSA-N 0 0 325.166 5.037 10 30 EKEERN c1ccc(/N=C(\Oc2ccccc2-c2ccccc2)c2ccccc2)cc1 ZINC000033872700 212967210 /nfs/dbraw/zinc/96/72/10/212967210.db2.gz SXWVARKPVCMFHZ-QPLCGJKRSA-N 0 0 349.433 6.511 10 30 EKEERN O=C1c2[nH]c3ccccc3c2CC/C1=C\c1ccccc1C(F)(F)F ZINC000033898415 202270350 /nfs/dbraw/zinc/27/03/50/202270350.db2.gz ODWSLKJDDARPHO-ACCUITESSA-N 0 0 341.332 5.399 10 30 EKEERN O=C1c2ccccc2C(=O)C1=C(Nc1ccccc1)c1cccs1 ZINC000033902271 212968423 /nfs/dbraw/zinc/96/84/23/212968423.db2.gz KKDKUXMAFDGXKR-DYTRJAOYSA-N 0 0 331.396 5.035 10 30 EKEERN O=C(/C=C\c1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000033926751 527654658 /nfs/dbraw/zinc/65/46/58/527654658.db2.gz MGTSFUGVJYPJBE-NVNXTCNLSA-N 0 0 334.802 6.028 10 30 EKEERN CCOc1ccc(C(C)N=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000033930989 520842879 /nfs/dbraw/zinc/84/28/79/520842879.db2.gz AOEXOCBRANAYKM-STZFKDTASA-N 0 0 337.448 5.045 10 30 EKEERN O=C1/C(=C\c2cccc(Cl)c2)CCC/C1=C/c1cccc(Cl)c1 ZINC000033939074 212971937 /nfs/dbraw/zinc/97/19/37/212971937.db2.gz YLYVKSBWJVLOJI-APGQMXJTSA-N 0 0 343.253 6.213 10 30 EKEERN CCCCCCC(/C=N/c1ccccc1C(=O)OC)=C\c1ccccc1 ZINC000033953477 519949377 /nfs/dbraw/zinc/94/93/77/519949377.db2.gz XTFDJRLNMKZPCR-IPWDHYFOSA-N 0 0 349.474 6.230 10 30 EKEERN CCCCCCCCCCCCCCCCCC(=O)C(F)(F)F ZINC000034803421 202278249 /nfs/dbraw/zinc/27/82/49/202278249.db2.gz SYQIFPOSGNRRCM-UHFFFAOYSA-N 0 0 336.482 7.379 10 30 in-vivo EKEERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccccc2)cc1 ZINC000034856212 527655891 /nfs/dbraw/zinc/65/58/91/527655891.db2.gz KYKDUQLDJWKYBL-NVNXTCNLSA-N 0 0 345.354 5.283 10 30 EKEERN O=[N+]([O-])c1ccc(NN=Cc2c3ccccc3cc3ccccc32)cc1 ZINC000034919434 212999507 /nfs/dbraw/zinc/99/95/07/212999507.db2.gz KGKWUQLSWCNTBX-HMAPJEAMSA-N 0 0 341.370 5.347 10 30 EKEERN CCCCC/C(=N/NC(=S)Nc1ccc(C)cc1)c1ccccc1 ZINC000035003036 519916733 /nfs/dbraw/zinc/91/67/33/519916733.db2.gz QSFHRWHBAXDNHI-QOCHGBHMSA-N 0 0 339.508 5.266 10 30 EKEERN CC(C)(C)C(=O)Oc1ccc(C(=O)/C=C\c2cccc(Cl)c2)cc1 ZINC000035074768 518593858 /nfs/dbraw/zinc/59/38/58/518593858.db2.gz UPALWHXSONULHH-GHXNOFRVSA-N 0 0 342.822 5.188 10 30 EKEERN CN(c1ccccc1)c1ccc(/C=C2/CCc3ccccc3C2=O)cc1 ZINC000035086112 213007949 /nfs/dbraw/zinc/00/79/49/213007949.db2.gz KSOFJRPNISBZKM-JZJYNLBNSA-N 0 0 339.438 5.667 10 30 EKEERN Cc1sc(NC(=O)/C=C\c2ccc(C(C)(C)C)cc2)c(C#N)c1C ZINC000035240439 213015330 /nfs/dbraw/zinc/01/53/30/213015330.db2.gz RZMJYVYOBNDGBU-FLIBITNWSA-N 0 0 338.476 5.186 10 30 EKEERN O=C(/C=C\c1ccc(OC(F)F)cc1)c1ccc(Cl)cc1Cl ZINC000035678182 213045028 /nfs/dbraw/zinc/04/50/28/213045028.db2.gz AOQIRKXRNMRFGP-BAQGIRSFSA-N 0 0 343.156 5.491 10 30 EKEERN O=C(/C=C\c1ccccc1OC(F)F)c1ccc(Cl)cc1Cl ZINC000035678222 213045246 /nfs/dbraw/zinc/04/52/46/213045246.db2.gz WEXBRRHRYDNDSO-YVMONPNESA-N 0 0 343.156 5.491 10 30 EKEERN C=CCO/N=C(/C)c1cc(-c2ccccc2)n(-c2ccc(C)cc2)c1C ZINC000035843360 213050624 /nfs/dbraw/zinc/05/06/24/213050624.db2.gz DMOUUYUNYROOKG-MOHJPFBDSA-N 0 0 344.458 5.688 10 30 EKEERN CCCCCCCC/C=C\C/C=C\C=C\SCCCC(=O)OC ZINC000036222825 202318874 /nfs/dbraw/zinc/31/88/74/202318874.db2.gz BCCIWBSBPMCVDG-CVWBSBFRSA-N 0 0 338.557 6.440 10 30 EKEERN CCCCCCCCC#CC/C=C\C=C\SCCCC(=O)OC ZINC000036222957 202318643 /nfs/dbraw/zinc/31/86/43/202318643.db2.gz NXYCNVKEVANDDC-XDQHYEHBSA-N 0 0 336.541 5.887 10 30 EKEERN CCCCCCCC/C=C\CCCCCCCC(=O)ONCCO ZINC000036294908 213082358 /nfs/dbraw/zinc/08/23/58/213082358.db2.gz WVNBOVPUAYEKIK-KTKRTIGZSA-N 0 0 341.536 5.064 10 30 in-vivo EKEERN CCCCCCCC/C=C\CCCCCCCC(=O)N(O)CCO ZINC000036294910 213082502 /nfs/dbraw/zinc/08/25/02/213082502.db2.gz QINGXEUKNRODNT-KTKRTIGZSA-N 0 0 341.536 5.234 10 30 in-vivo EKEERN CCCCCCCC/C=C\CCCCCCCC(=O)NOCCO ZINC000036294912 213082477 /nfs/dbraw/zinc/08/24/77/213082477.db2.gz NPPFEZUZEVDUDA-KTKRTIGZSA-N 0 0 341.536 5.064 10 30 in-vivo EKEERN O=C1C=C(c2ccc3ccccc3c2)C[C@@H](c2ccc(Cl)cc2)C1 ZINC000036388348 213093112 /nfs/dbraw/zinc/09/31/12/213093112.db2.gz LOBAMZKQCYMAFV-LJQANCHMSA-N 0 0 332.830 6.023 10 30 EKEERN C[C@H](Nc1cc(Cl)ccc1C#N)c1ccccc1Br ZINC000036954472 201834189 /nfs/dbraw/zinc/83/41/89/201834189.db2.gz ZTRYDSBPTCQDFQ-JTQLQIEISA-N 0 0 335.632 5.147 10 30 EKEERN C[C@@H](Nc1cc(Cl)ccc1C#N)c1ccccc1Br ZINC000036954473 213126891 /nfs/dbraw/zinc/12/68/91/213126891.db2.gz ZTRYDSBPTCQDFQ-SNVBAGLBSA-N 0 0 335.632 5.147 10 30 EKEERN C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccccc1Br ZINC000036963990 213127365 /nfs/dbraw/zinc/12/73/65/213127365.db2.gz AQXKRVIWYPSBOV-SNVBAGLBSA-N 0 0 335.632 5.147 10 30 EKEERN C[C@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(Br)c1 ZINC000036963999 213127876 /nfs/dbraw/zinc/12/78/76/213127876.db2.gz BDJHLSJCLPLWDQ-JTQLQIEISA-N 0 0 335.632 5.147 10 30 EKEERN C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(Br)c1 ZINC000036964000 213127747 /nfs/dbraw/zinc/12/77/47/213127747.db2.gz BDJHLSJCLPLWDQ-SNVBAGLBSA-N 0 0 335.632 5.147 10 30 EKEERN C[C@@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(Br)cc1 ZINC000036973011 213128114 /nfs/dbraw/zinc/12/81/14/213128114.db2.gz YIIIHYPYZFWTHB-SNVBAGLBSA-N 0 0 335.632 5.147 10 30 EKEERN C[C@H](Nc1ccc(Cl)c(C#N)c1)c1ccccc1Br ZINC000036973292 213129095 /nfs/dbraw/zinc/12/90/95/213129095.db2.gz QDNSYUSSPHZCDX-JTQLQIEISA-N 0 0 335.632 5.147 10 30 EKEERN C[C@@H](Nc1ccc(Cl)c(C#N)c1)c1ccccc1Br ZINC000036973294 213129131 /nfs/dbraw/zinc/12/91/31/213129131.db2.gz QDNSYUSSPHZCDX-SNVBAGLBSA-N 0 0 335.632 5.147 10 30 EKEERN C[C@H](Nc1ccc(Cl)c(C#N)c1)c1cccc(Br)c1 ZINC000036973318 213128746 /nfs/dbraw/zinc/12/87/46/213128746.db2.gz ITOKFPQWVDDJAF-JTQLQIEISA-N 0 0 335.632 5.147 10 30 EKEERN C[C@@H](Nc1ccc(Cl)c(C#N)c1)c1cccc(Br)c1 ZINC000036973320 213128257 /nfs/dbraw/zinc/12/82/57/213128257.db2.gz ITOKFPQWVDDJAF-SNVBAGLBSA-N 0 0 335.632 5.147 10 30 EKEERN Cc1cc([C@@H](C)Nc2ccc(C#N)cc2Br)c(C)s1 ZINC000037071979 213133301 /nfs/dbraw/zinc/13/33/01/213133301.db2.gz VZXANEATHXTJRR-SNVBAGLBSA-N 0 0 335.270 5.172 10 30 EKEERN Cc1cc([C@H](C)Nc2ccc(C#N)cc2Br)c(C)s1 ZINC000037071980 213132678 /nfs/dbraw/zinc/13/26/78/213132678.db2.gz VZXANEATHXTJRR-JTQLQIEISA-N 0 0 335.270 5.172 10 30 EKEERN CC(C)[C@H](Nc1ccc(C#N)cc1Br)c1cccs1 ZINC000037302238 213138733 /nfs/dbraw/zinc/13/87/33/213138733.db2.gz BRIQQUJUJDGEIM-HNNXBMFYSA-N 0 0 335.270 5.191 10 30 EKEERN CC(C)[C@@H](Nc1ccc(C#N)cc1Br)c1cccs1 ZINC000037302240 213139543 /nfs/dbraw/zinc/13/95/43/213139543.db2.gz BRIQQUJUJDGEIM-OAHLLOKOSA-N 0 0 335.270 5.191 10 30 EKEERN Nc1cccc(C#Cc2c(Cl)c(Cl)cc(Cl)c2Cl)c1 ZINC000037547814 213155588 /nfs/dbraw/zinc/15/55/88/213155588.db2.gz DCMHLDRLKVHZLB-UHFFFAOYSA-N 0 0 331.029 5.282 10 30 EKEERN C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(Br)s1 ZINC000038002233 213187916 /nfs/dbraw/zinc/18/79/16/213187916.db2.gz JSYSEEYGNZZGEZ-QMMMGPOBSA-N 0 0 341.661 5.209 10 30 EKEERN C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(Br)s1 ZINC000038002234 202384109 /nfs/dbraw/zinc/38/41/09/202384109.db2.gz JSYSEEYGNZZGEZ-MRVPVSSYSA-N 0 0 341.661 5.209 10 30 EKEERN C[C@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Br)s1 ZINC000038002461 213187451 /nfs/dbraw/zinc/18/74/51/213187451.db2.gz VUWAHOWMHCILCN-NSHDSACASA-N 0 0 349.297 5.485 10 30 EKEERN C[C@@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Br)s1 ZINC000038002462 213187709 /nfs/dbraw/zinc/18/77/09/213187709.db2.gz VUWAHOWMHCILCN-LLVKDONJSA-N 0 0 349.297 5.485 10 30 EKEERN C[C@H](Nc1cc(Cl)ccc1C#N)c1ccc(Br)s1 ZINC000038002541 213187793 /nfs/dbraw/zinc/18/77/93/213187793.db2.gz VOLUGROZRDLPHN-QMMMGPOBSA-N 0 0 341.661 5.209 10 30 EKEERN C[C@@H](Nc1cc(Cl)ccc1C#N)c1ccc(Br)s1 ZINC000038002542 213187814 /nfs/dbraw/zinc/18/78/14/213187814.db2.gz VOLUGROZRDLPHN-MRVPVSSYSA-N 0 0 341.661 5.209 10 30 EKEERN C[C@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(Br)s1 ZINC000038002629 213187446 /nfs/dbraw/zinc/18/74/46/213187446.db2.gz LVJPBIAGPPJREK-QMMMGPOBSA-N 0 0 341.661 5.209 10 30 EKEERN C[C@@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(Br)s1 ZINC000038002630 213186867 /nfs/dbraw/zinc/18/68/67/213186867.db2.gz LVJPBIAGPPJREK-MRVPVSSYSA-N 0 0 341.661 5.209 10 30 EKEERN CCCCCC(=NOC(=O)Nc1ccccc1)c1cc(C)ccc1O ZINC000038180970 519916787 /nfs/dbraw/zinc/91/67/87/519916787.db2.gz MKQNSTGKLDXAMG-PYCFMQQDSA-N 0 0 340.423 5.234 10 30 EKEERN O=C1/C(=C/C=C/c2ccccc2)CCC/C1=C/C=C/c1ccccc1 ZINC000038200495 563921737 /nfs/dbraw/zinc/92/17/37/563921737.db2.gz CTQRVSIAFMWYTR-TWAWVODOSA-N 0 0 326.439 6.019 10 30 EKEERN CC(=NNc1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl ZINC000038320207 202134087 /nfs/dbraw/zinc/13/40/87/202134087.db2.gz CNZSLYJXVBQHGZ-NKVSQWTQSA-N 0 0 347.167 5.848 10 30 EKEERN O=C1c2ccc(OCc3ccccc3)cc2O/C1=C\c1ccc(F)cc1 ZINC000038320904 213207280 /nfs/dbraw/zinc/20/72/80/213207280.db2.gz PJFVRXSQOFMZDE-MTJSOVHGSA-N 0 0 346.357 5.021 10 30 EKEERN O=C1c2ccc(OCc3ccccc3)cc2O/C1=C\c1ccccc1F ZINC000038320907 213207626 /nfs/dbraw/zinc/20/76/26/213207626.db2.gz RTZJHFNRGRIBLN-MTJSOVHGSA-N 0 0 346.357 5.021 10 30 EKEERN Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1 ZINC000038320934 213207872 /nfs/dbraw/zinc/20/78/72/213207872.db2.gz SJMFKHZEOIRPPZ-NDENLUEZSA-N 0 0 348.423 5.252 10 30 EKEERN Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 ZINC000038320940 213207888 /nfs/dbraw/zinc/20/78/88/213207888.db2.gz XISIBFKZKZPUML-XKZIYDEJSA-N 0 0 342.394 5.190 10 30 EKEERN N#Cc1c(Cl)nc(-c2ccccc2)cc1-c1ccc(Cl)cc1 ZINC000038782500 213225215 /nfs/dbraw/zinc/22/52/15/213225215.db2.gz NGUFSKJMLPWGFX-UHFFFAOYSA-N 0 0 325.198 5.594 10 30 EKEERN O=C(/C=C/c1ccnc2ccccc12)c1ccc(Cl)cc1Cl ZINC000038820743 213226610 /nfs/dbraw/zinc/22/66/10/213226610.db2.gz XPGZJSJHBATRIG-VMPITWQZSA-N 0 0 328.198 5.438 10 30 EKEERN O=C(/C(=C/c1ccccc1)n1ccnc1)c1ccc(Cl)cc1Cl ZINC000039139735 213231200 /nfs/dbraw/zinc/23/12/00/213231200.db2.gz BFIVVDFEHOSPHM-YVLHZVERSA-N 0 0 343.213 5.071 10 30 EKEERN O=C1c2ccc(OCc3ccccc3F)cc2O/C1=C\c1ccccc1 ZINC000039754164 213242620 /nfs/dbraw/zinc/24/26/20/213242620.db2.gz GHTPVRQBCAUZDD-MTJSOVHGSA-N 0 0 346.357 5.021 10 30 EKEERN O=C1c2ccc(OCc3ccc(F)cc3)cc2O/C1=C\c1ccccc1 ZINC000039754188 213242615 /nfs/dbraw/zinc/24/26/15/213242615.db2.gz XBLOJBNGNSHFCR-MTJSOVHGSA-N 0 0 346.357 5.021 10 30 EKEERN CCC[C@@H]1CC[C@@H]2C[C@H](OC(=O)c3ccc(C#N)cc3)CC[C@@H]2C1 ZINC000039960591 213246307 /nfs/dbraw/zinc/24/63/07/213246307.db2.gz JKVCNOBRCAVQPE-HUYLIWGRSA-N 0 0 325.452 5.100 10 30 EKEERN N#Cc1c2c(sc1Nc1ccnc3c(Cl)cccc13)CCCC2 ZINC000039963818 213247434 /nfs/dbraw/zinc/24/74/34/213247434.db2.gz QVRRQXXCLQDFOU-UHFFFAOYSA-N 0 0 339.851 5.444 10 30 EKEERN CS[C@@](C)(CC(=NOC(=O)Nc1ccccc1C)C1CC1)C1CC1 ZINC000040166300 213278104 /nfs/dbraw/zinc/27/81/04/213278104.db2.gz XZYCYJXUUBVSDT-AJNNJPABSA-N 0 0 346.496 5.231 10 30 EKEERN C=C(C)Cn1c2ccccc2nc1C(c1ccccc1)c1ccccc1 ZINC000040210396 213281440 /nfs/dbraw/zinc/28/14/40/213281440.db2.gz BWCARIIFSBFXTJ-UHFFFAOYSA-N 0 0 338.454 5.793 10 30 EKEERN C=C(C)Cn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000040210536 213281567 /nfs/dbraw/zinc/28/15/67/213281567.db2.gz LRXOSAKIAOSNDZ-UHFFFAOYSA-N 0 0 338.454 5.870 10 30 EKEERN C=C(Br)Cn1c2ccccc2nc1-c1ccc(C)cc1C ZINC000040210679 213281635 /nfs/dbraw/zinc/28/16/35/213281635.db2.gz VBSHDOOHXOGEOT-UHFFFAOYSA-N 0 0 341.252 5.229 10 30 EKEERN C=CCc1ccccc1OCCn1c2ccccc2nc1C(C)(C)C ZINC000040239226 213284312 /nfs/dbraw/zinc/28/43/12/213284312.db2.gz QUMKPFVHSZHPML-UHFFFAOYSA-N 0 0 334.463 5.141 10 30 EKEERN C=C(Br)Cn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000040249391 213285065 /nfs/dbraw/zinc/28/50/65/213285065.db2.gz OPMDEKHTKKRUGY-UHFFFAOYSA-N 0 0 347.643 5.265 10 30 EKEERN C=C(C)Cn1c2ccccc2nc1-c1ccc(Br)cc1 ZINC000040249530 213284774 /nfs/dbraw/zinc/28/47/74/213284774.db2.gz IIOXAIXYGXBQMK-UHFFFAOYSA-N 0 0 327.225 5.042 10 30 EKEERN C=C(Br)Cn1c2ccccc2nc1-c1cccc(Cl)c1 ZINC000040250369 213284729 /nfs/dbraw/zinc/28/47/29/213284729.db2.gz RKOWNNQAKZFAEK-UHFFFAOYSA-N 0 0 347.643 5.265 10 30 EKEERN C=C(C)n1c2cc(C)c(C)cc2n(Cc2c(C)c(C)cc(C)c2C)c1=O ZINC000040311234 213290853 /nfs/dbraw/zinc/29/08/53/213290853.db2.gz LJOKTESJTVVFPM-UHFFFAOYSA-N 0 0 348.490 5.192 10 30 EKEERN C=C(C)n1c2cc(C)c(C)cc2n(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000040311240 213290536 /nfs/dbraw/zinc/29/05/36/213290536.db2.gz GWBQFWZVKBJFER-UHFFFAOYSA-N 0 0 348.490 5.256 10 30 EKEERN C=C(C)n1c2cc(C)c(C)cc2n(Cc2cccc3ccccc32)c1=O ZINC000040311264 213290929 /nfs/dbraw/zinc/29/09/29/213290929.db2.gz OJNSTTLNPYUJKF-UHFFFAOYSA-N 0 0 342.442 5.112 10 30 EKEERN C=C(C)n1c2cc(C)c(C)cc2n(Cc2ccc3ccccc3c2)c1=O ZINC000040311266 213291526 /nfs/dbraw/zinc/29/15/26/213291526.db2.gz RWNHYYZVJMSGQL-UHFFFAOYSA-N 0 0 342.442 5.112 10 30 EKEERN O=C1CCCC2=C1[C@H](c1ccccc1)c1ccc3ccccc3c1N2 ZINC000040394511 213296868 /nfs/dbraw/zinc/29/68/68/213296868.db2.gz DOPMRNCGYPYSFG-OAQYLSRUSA-N 0 0 325.411 5.404 10 30 EKEERN O=C1CCCC2=C1[C@@H](c1ccccc1)c1ccc3ccccc3c1N2 ZINC000040394512 213297108 /nfs/dbraw/zinc/29/71/08/213297108.db2.gz DOPMRNCGYPYSFG-NRFANRHFSA-N 0 0 325.411 5.404 10 30 EKEERN COc1ccc(/C=C2\CCCC/C(=C\c3ccc(OC)cc3)C2=O)cc1 ZINC000040423628 213302856 /nfs/dbraw/zinc/30/28/56/213302856.db2.gz RZRQKHSVCIFCKH-MXWIWYRXSA-N 0 0 348.442 5.314 10 30 EKEERN CCCC1CCC(c2ccc(C#Cc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000040442821 213304056 /nfs/dbraw/zinc/30/40/56/213304056.db2.gz QIIFDEDLUFVBCI-UHFFFAOYSA-N 0 0 345.461 6.171 10 30 EKEERN CCn1cc(/C=N/N=C/c2cn(CC)c3ccccc23)c2ccccc21 ZINC000040570744 213352487 /nfs/dbraw/zinc/35/24/87/213352487.db2.gz JLWKVJRMWOKAPV-RNIAWFEPSA-N 0 0 342.446 5.089 10 30 EKEERN CCn1cc(/C=N/c2sc3c(c2C#N)CCCC3)c2ccccc21 ZINC000040570769 213352690 /nfs/dbraw/zinc/35/26/90/213352690.db2.gz DSWPSEPEASJQDL-WSDLNYQXSA-N 0 0 333.460 5.224 10 30 EKEERN Cc1cc(Nc2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2n1 ZINC000040570935 213352677 /nfs/dbraw/zinc/35/26/77/213352677.db2.gz FTHGKYVZZZGTMN-UHFFFAOYSA-N 0 0 327.309 5.177 10 30 EKEERN O=C(/C=C/c1cnc2ccccc2c1)c1cc(Cl)ccc1Cl ZINC000040576275 213354208 /nfs/dbraw/zinc/35/42/08/213354208.db2.gz BGHOTGMQVPEHPC-VMPITWQZSA-N 0 0 328.198 5.438 10 30 EKEERN O=C(/C=C/c1cnc2ccccc2c1)c1ccc(Cl)cc1Cl ZINC000040576369 213354140 /nfs/dbraw/zinc/35/41/40/213354140.db2.gz DFQCZZCHHULVMZ-VMPITWQZSA-N 0 0 328.198 5.438 10 30 EKEERN c1ccc2c(c1)C(=NC1CCCCCC1)NC2=NC1CCCCCC1 ZINC000040802691 213388967 /nfs/dbraw/zinc/38/89/67/213388967.db2.gz CGPYIMPIKQWZAY-UHFFFAOYSA-N 0 0 337.511 5.229 10 30 EKEERN CC1=C(/C=C/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C(C)(C)CCC1 ZINC000040845169 213392547 /nfs/dbraw/zinc/39/25/47/213392547.db2.gz VPVJQVXUCWGFKI-HULFFUFUSA-N 0 0 325.408 5.260 10 30 EKEERN C=CC/C=C\C/C=C\CCCCCCCc1cc(O)c(C)c(O)c1 ZINC000040894551 213397472 /nfs/dbraw/zinc/39/74/72/213397472.db2.gz UKMBKJYRCZVQFL-AFJQJTPPSA-N 0 0 328.496 6.368 10 30 biogenic,in-vitro EKEERN CCCCCCCCCCCCCCCC(=O)OC1CCCCC1 ZINC000043382074 519991438 /nfs/dbraw/zinc/99/14/38/519991438.db2.gz BMZOQYYROAVSAP-UHFFFAOYSA-N 0 0 338.576 7.344 10 30 EKEERN CCCCCCCC/C=C\CCCCCCCC(=O)NCCCO ZINC000043408948 213581885 /nfs/dbraw/zinc/58/18/85/213581885.db2.gz UDZJZDBQGJPVOQ-KTKRTIGZSA-N 0 0 339.564 5.523 10 30 EKEERN CCCCCCCCCCCCCCCCCCNS(N)(=O)=O ZINC000043543913 213586613 /nfs/dbraw/zinc/58/66/13/213586613.db2.gz QIJYZYSUOVKJCJ-UHFFFAOYSA-N 0 0 348.597 5.041 10 30 EKEERN CCCCCCCCCCCCCC[C@H](C(=O)[O-])[NH+](CC)CC ZINC000043544026 213586113 /nfs/dbraw/zinc/58/61/13/213586113.db2.gz MJCGYIGNVMPXDS-LJQANCHMSA-N 0 0 327.553 5.873 10 30 EKEERN CCCCCCCCCCCCCC[C@H]([NH2+]CCCC)C(=O)[O-] ZINC000043544045 213586348 /nfs/dbraw/zinc/58/63/48/213586348.db2.gz ZCZITWAXBDPDET-IBGZPJMESA-N 0 0 327.553 5.921 10 30 EKEERN CCCCCCCCCCCCCCCCOC[C@@H](CO)OCC ZINC000043598595 213589918 /nfs/dbraw/zinc/58/99/18/213589918.db2.gz XNJPJQWHGJPRGN-OAQYLSRUSA-N 0 0 344.580 5.882 10 30 EKEERN CCCCCCCCCCCCCCCCOC[C@H](CO)OCC ZINC000043598598 213590060 /nfs/dbraw/zinc/59/00/60/213590060.db2.gz XNJPJQWHGJPRGN-NRFANRHFSA-N 0 0 344.580 5.882 10 30 EKEERN CCCCCCCc1nc2c(c3ccccc3nc2N)n1CC(C)C ZINC000044201936 213612246 /nfs/dbraw/zinc/61/22/46/213612246.db2.gz BJZKTSFZARXTJH-UHFFFAOYSA-N 0 0 338.499 5.336 10 30 EKEERN CCCCCCCCCCCCC/C=C(\C)C(=O)N[C@@H](C)CO ZINC000044352117 213619786 /nfs/dbraw/zinc/61/97/86/213619786.db2.gz YATFRALIAPYFQO-YMIFCHIISA-N 0 0 325.537 5.131 10 30 EKEERN CCCCCCCCCCCCCC[C@@H](F)C(=O)C(F)(F)F ZINC000044387574 213621954 /nfs/dbraw/zinc/62/19/54/213621954.db2.gz HCIDRHZIAMIVIL-OAHLLOKOSA-N 0 0 326.418 6.547 10 30 in-vivo EKEERN CCCCCC/C=C\CCCCCCCc1cc(O)c(C)c(O)c1 ZINC000044417879 560085246 /nfs/dbraw/zinc/08/52/46/560085246.db2.gz LDBPJTXLCRXBIJ-HJWRWDBZSA-N 0 0 332.528 6.816 10 30 endogenous,in-man EKEERN CCCCCCCCCCCCCCCc1cc(O)c(C)c(O)c1 ZINC000044417992 201102847 /nfs/dbraw/zinc/10/28/47/201102847.db2.gz BKJGZUZQKDSBSN-UHFFFAOYSA-N 0 0 334.544 7.040 10 30 biogenic,in-vitro EKEERN COc1ccc(CN=C2Nc3ccccc3NC23CCCCCC3)cc1 ZINC000046153015 563362298 /nfs/dbraw/zinc/36/22/98/563362298.db2.gz JIMIKYNMYIZDQN-UHFFFAOYSA-N 0 0 349.478 5.224 10 30 EKEERN CCCCCCCCCC(=O)C=C(O)C=Cc1ccc(O)c(OC)c1 ZINC000049784944 519974488 /nfs/dbraw/zinc/97/44/88/519974488.db2.gz QJDGTTCAEQPSJA-ACCUITESSA-N 0 0 346.467 5.083 10 30 biogenic,in-vitro EKEERN CCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000049888675 214035540 /nfs/dbraw/zinc/03/55/40/214035540.db2.gz XXFZUZXCHYDOJO-FYWRMAATSA-N 0 0 348.483 5.575 10 30 EKEERN C(=NNc1nc2ccccc2[nH]1)c1c2ccccc2cc2ccccc21 ZINC000050705007 214066908 /nfs/dbraw/zinc/06/69/08/214066908.db2.gz IWJXYYQXQHZLFL-UCQKPKSFSA-N 0 0 336.398 5.315 10 30 EKEERN CCCCCCCn1c(COc2ccc(C)cc2)nc2ccccc21 ZINC000050861343 214071776 /nfs/dbraw/zinc/07/17/76/214071776.db2.gz DDHUJGWBHJUHHX-UHFFFAOYSA-N 0 0 336.479 5.894 10 30 EKEERN Clc1cc(Cl)c(NC2=NC3(CCCC3)CS2)c(Cl)c1 ZINC000053044698 214160773 /nfs/dbraw/zinc/16/07/73/214160773.db2.gz CBHNTLIUCRYAAP-UHFFFAOYSA-N 0 0 335.687 5.284 10 30 EKEERN CCC1(CC)CSC(Nc2cc(Cl)c(Cl)cc2Cl)=N1 ZINC000053045414 214161194 /nfs/dbraw/zinc/16/11/94/214161194.db2.gz QAOUCXWYLLYVNM-UHFFFAOYSA-N 0 0 337.703 5.530 10 30 EKEERN C=CCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1 ZINC000055161250 518699038 /nfs/dbraw/zinc/69/90/38/518699038.db2.gz UMULWEQZNFZORL-UHFFFAOYSA-N 0 0 332.478 7.011 10 30 EKEERN CC(N=Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(O)cc1 ZINC000058985949 563947545 /nfs/dbraw/zinc/94/75/45/563947545.db2.gz DTMMRCXAVSIJBT-QGMBQPNBSA-N 0 0 329.614 5.189 10 30 EKEERN Cc1ccc(NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000059152504 214613812 /nfs/dbraw/zinc/61/38/12/214613812.db2.gz QLJFAIXYXQWJOG-OEAKJJBVSA-N 0 0 338.495 5.742 10 30 EKEERN N#Cc1c(Cl)cccc1Oc1ccc(Br)cc1Cl ZINC000070138407 215677697 /nfs/dbraw/zinc/67/76/97/215677697.db2.gz SHMNEGOECYZANQ-UHFFFAOYSA-N 0 0 343.007 5.420 10 30 EKEERN CCCCCCCCCCCC(=O)CCc1ccc(O)c(OC)c1 ZINC000070457351 291016280 /nfs/dbraw/zinc/01/62/80/291016280.db2.gz XNBUKRQGYHYOOP-UHFFFAOYSA-N 0 0 334.500 5.823 10 30 endogenous,in-man EKEERN CCCCCCc1ccc(-c2ccccc2)c(-c2cccc(C#N)c2)c1 ZINC000071618320 215788919 /nfs/dbraw/zinc/78/89/19/215788919.db2.gz CIGNIGKEGGFKRH-UHFFFAOYSA-N 0 0 339.482 7.015 10 30 EKEERN COc1ccc(C(=O)OCCCCCCCCCCCS)cc1 ZINC000071973489 523770409 /nfs/dbraw/zinc/77/04/09/523770409.db2.gz UVQMLHSUDZAEPV-UHFFFAOYSA-N 0 0 338.513 5.293 10 30 EKEERN C[C@H](NC(=O)C1(C#N)CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000072029946 203158414 /nfs/dbraw/zinc/15/84/14/203158414.db2.gz KVDDIOGXAOSBOB-KRWDZBQOSA-N 0 0 332.447 5.005 10 30 EKEERN C[C@@H](NC(=O)C1(C#N)CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000072029947 203158721 /nfs/dbraw/zinc/15/87/21/203158721.db2.gz KVDDIOGXAOSBOB-QGZVFWFLSA-N 0 0 332.447 5.005 10 30 EKEERN N#Cc1ccc([C@@]2(CC3CCCC3)c3ccccc3-c3nccn32)cc1 ZINC000072109200 216010007 /nfs/dbraw/zinc/01/00/07/216010007.db2.gz CWKRGQQRVIMALU-QHCPKHFHSA-N 0 0 339.442 5.107 10 30 EKEERN N#Cc1ccc([C@]2(CC3CCCC3)c3ccccc3-c3nccn32)cc1 ZINC000072109201 216010562 /nfs/dbraw/zinc/01/05/62/216010562.db2.gz CWKRGQQRVIMALU-HSZRJFAPSA-N 0 0 339.442 5.107 10 30 EKEERN C#CCn1c2cnc3ccccc3c2nc1CCCCCCCCC ZINC000072176428 216064827 /nfs/dbraw/zinc/06/48/27/216064827.db2.gz INUKZKUSPNQTEJ-UHFFFAOYSA-N 0 0 333.479 5.511 10 30 EKEERN CCCCCCCCCCCCCCCCCCOC[C@@H](C)O ZINC000072266959 216087544 /nfs/dbraw/zinc/08/75/44/216087544.db2.gz ZQCIPRGNRQXXSK-OAQYLSRUSA-N 0 0 328.581 6.645 10 30 EKEERN CCCCCCCCCCCCCCCCCCOC[C@H](C)O ZINC000072266960 216087691 /nfs/dbraw/zinc/08/76/91/216087691.db2.gz ZQCIPRGNRQXXSK-NRFANRHFSA-N 0 0 328.581 6.645 10 30 EKEERN CCCCCCCCCCC[C@H](CC(=O)OC)OCc1ccccc1 ZINC000072399425 258064771 /nfs/dbraw/zinc/06/47/71/258064771.db2.gz DSQRYVDYSWWRDB-OAQYLSRUSA-N 0 0 348.527 6.056 10 30 in-vitro EKEERN CCCCCCCCCCC[C@H]1CC=C(CCCCCC)C(=O)O1 ZINC000072399919 216194075 /nfs/dbraw/zinc/19/40/75/216194075.db2.gz PNTFVBMYNOKWQP-NRFANRHFSA-N 0 0 336.560 7.120 10 30 in-vitro EKEERN CCCCCCCCCCCCCCCCP(=O)(OC)OC ZINC000073333096 203264201 /nfs/dbraw/zinc/26/42/01/203264201.db2.gz KCGQAMHRYDCPDN-UHFFFAOYSA-N 0 0 334.481 6.954 10 30 EKEERN CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)C ZINC000080816937 217334287 /nfs/dbraw/zinc/33/42/87/217334287.db2.gz GXJLQJFVFMCVHG-QXMHVHEDSA-N 0 0 338.576 7.223 10 30 EKEERN CCCCCCCCCCCCCCCCCc1ccc(C)cc1 ZINC000082004857 519999227 /nfs/dbraw/zinc/99/92/27/519999227.db2.gz SYVLYLHRKOGOPB-UHFFFAOYSA-N 0 0 330.600 8.409 10 30 EKEERN OCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000082207587 203500476 /nfs/dbraw/zinc/50/04/76/203500476.db2.gz DGNNLLZHFZKHFJ-UHFFFAOYSA-N 0 0 348.249 5.178 10 30 EKEERN N#Cc1c(Cl)nc(-c2ccc(Cl)cc2)cc1-c1ccccc1 ZINC000083204190 217529735 /nfs/dbraw/zinc/52/97/35/217529735.db2.gz QTHBQZAJKIBOIA-UHFFFAOYSA-N 0 0 325.198 5.594 10 30 EKEERN CCCCCC1CCC([C@]2(C#N)C=CC(c3ccccc3)=CC2)CC1 ZINC000083407036 217543463 /nfs/dbraw/zinc/54/34/63/217543463.db2.gz RQKSDWLLCZEXDZ-VZYOYLOZSA-N 0 0 333.519 6.927 10 30 EKEERN CCCCCCCCCCCCCCCCCOC[C@@H](O)CO ZINC000085809362 217684515 /nfs/dbraw/zinc/68/45/15/217684515.db2.gz RFJIYBACSXLSEQ-FQEVSTJZSA-N 0 0 330.553 5.228 10 30 EKEERN CCCCCCCCCCCCCCCCCCCCCCC#N ZINC000086001448 217688229 /nfs/dbraw/zinc/68/82/29/217688229.db2.gz NCWVIUAXLUGLNC-UHFFFAOYSA-N 0 0 335.620 8.722 10 30 EKEERN Cc1ccc(-c2nc(C#N)c(Nc3ccc(Cl)cc3)s2)cc1 ZINC000090568367 217940591 /nfs/dbraw/zinc/94/05/91/217940591.db2.gz FGQZSYPNBIXVBR-UHFFFAOYSA-N 0 0 325.824 5.387 10 30 EKEERN O=CCCSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000091690515 218047932 /nfs/dbraw/zinc/04/79/32/218047932.db2.gz ATCUEUQVJVXGLH-UHFFFAOYSA-N 0 0 332.468 5.301 10 30 EKEERN CC1(C)C[C@H](c2cccc(Br)c2)Nc2ccc(C#N)cc21 ZINC000091691852 218049456 /nfs/dbraw/zinc/04/94/56/218049456.db2.gz IQLMLECCXBUHPO-QGZVFWFLSA-N 0 0 341.252 5.155 10 30 EKEERN CC1(C)C[C@@H](c2cccc(Br)c2)Nc2ccc(C#N)cc21 ZINC000091691853 218049154 /nfs/dbraw/zinc/04/91/54/218049154.db2.gz IQLMLECCXBUHPO-KRWDZBQOSA-N 0 0 341.252 5.155 10 30 EKEERN CC1(C)C[C@H](c2ccccc2Br)Nc2ccc(C#N)cc21 ZINC000091691868 218049151 /nfs/dbraw/zinc/04/91/51/218049151.db2.gz BDUXCPJFSPQVAN-QGZVFWFLSA-N 0 0 341.252 5.155 10 30 EKEERN CC1(C)C[C@@H](c2ccccc2Br)Nc2ccc(C#N)cc21 ZINC000091691869 218049330 /nfs/dbraw/zinc/04/93/30/218049330.db2.gz BDUXCPJFSPQVAN-KRWDZBQOSA-N 0 0 341.252 5.155 10 30 EKEERN COc1ccc2c(c1)/C(=C\c1ccc(Cl)cc1Cl)C(=O)CC2 ZINC000095577148 203764003 /nfs/dbraw/zinc/76/40/03/203764003.db2.gz ZJFUZNAXSRIBQT-LZYBPNLTSA-N 0 0 333.214 5.058 10 30 EKEERN CCCCCCCc1c(O)c2cccc3c4ccccc4n(c32)c1=O ZINC000095670868 563977621 /nfs/dbraw/zinc/97/76/21/563977621.db2.gz JZFKROGLJGCBEJ-UHFFFAOYSA-N 0 0 333.431 5.262 10 30 EKEERN CCCCCCC[C@@H]1CCC/C1=N\OC(=O)Cc1ccccc1F ZINC000095676440 257914271 /nfs/dbraw/zinc/91/42/71/257914271.db2.gz JQUHFWHRJZMUHG-UFIXSJTLSA-N 0 0 333.447 5.428 10 30 EKEERN CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC ZINC000095851714 218448712 /nfs/dbraw/zinc/44/87/12/218448712.db2.gz MURWRBWZIMXKGC-UHFFFAOYSA-N 0 0 334.456 5.161 10 30 EKEERN CCCCCCCCCCCCCC[C@H](C)c1cc(C)cc(C)c1O ZINC000095866696 520007087 /nfs/dbraw/zinc/00/70/87/520007087.db2.gz TVWGHFVGFWIHFN-NRFANRHFSA-N 0 0 346.599 8.204 10 30 EKEERN CN1c2ccccc2C(C)(C)/C1=C\C=C/C=C1/Cc2ccccc2C1=O ZINC000095913094 218449769 /nfs/dbraw/zinc/44/97/69/218449769.db2.gz DEWLJBKRIUSZAA-QMZQDHKZSA-N 0 0 341.454 5.220 10 30 EKEERN O=C(/C=C/c1ccc(C(=O)/C=C/c2ccccc2)cc1)c1ccccc1 ZINC000095929177 527606174 /nfs/dbraw/zinc/60/61/74/527606174.db2.gz ROIZGGACYUTDPE-HBKJEHTGSA-N 0 0 338.406 5.479 10 30 EKEERN O=C(/C=C\c1ccccc1Cl)c1ccccc1OCc1ccccc1 ZINC000095930982 527657543 /nfs/dbraw/zinc/65/75/43/527657543.db2.gz AIHNBFJDLWNCER-PFONDFGASA-N 0 0 348.829 5.815 10 30 EKEERN Cc1ccc([N+](=O)[O-])cc1/N=C/C(Br)=C/c1ccccc1 ZINC000097831983 219059892 /nfs/dbraw/zinc/05/98/92/219059892.db2.gz NOAWUCLBGXVZJD-MCVIOFPKSA-N 0 0 345.196 5.042 10 30 EKEERN FC(F)(F)c1cc(Br)ccc1C(F)(F)C(F)(F)F ZINC000097949843 219064273 /nfs/dbraw/zinc/06/42/73/219064273.db2.gz RETFSPZNLUVJTN-UHFFFAOYSA-N 0 0 343.011 5.122 10 30 EKEERN FC(F)(F)C(F)(F)c1cnc(Cl)cc1C(F)(F)C(F)(F)F ZINC000097949897 219064269 /nfs/dbraw/zinc/06/42/69/219064269.db2.gz XSQOAYWOEUPTQU-UHFFFAOYSA-N 0 0 349.555 5.043 10 30 EKEERN CCCCCCCCCCSc1n[nH]c(-c2cccc(C)c2)n1 ZINC000097965960 219065688 /nfs/dbraw/zinc/06/56/88/219065688.db2.gz TVGCYHDQBAGMFI-UHFFFAOYSA-N 0 0 331.529 6.013 10 30 EKEERN CCCCCCCCCCCC[C@@H](CO)CCCCCCCC ZINC000097978864 219065534 /nfs/dbraw/zinc/06/55/34/219065534.db2.gz AIFYEUWTOFTMPG-QFIPXVFZSA-N 0 0 326.609 7.657 10 30 EKEERN CCCCCCCCCCOC(=O)Nc1ccc(OC(=O)CC)cc1 ZINC000098002561 219066976 /nfs/dbraw/zinc/06/69/76/219066976.db2.gz LYIGODUWOPZXTC-UHFFFAOYSA-N 0 0 349.471 5.691 10 30 EKEERN Cc1nc(-c2ccccc2)sc1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000098023256 219071060 /nfs/dbraw/zinc/07/10/60/219071060.db2.gz LZBRVPQAZGBJMU-XFXZXTDPSA-N 0 0 339.847 5.668 10 30 EKEERN CSc1nc2ccccc2cc1/C=C\C(=O)c1ccc(Cl)cc1 ZINC000098023531 219070848 /nfs/dbraw/zinc/07/08/48/219070848.db2.gz SCIDBDXNCKIANW-FLIBITNWSA-N 0 0 339.847 5.506 10 30 EKEERN CCCCCCCC(=O)OC[C@@H](C)OC(=O)CCCCCCC ZINC000098084545 219080829 /nfs/dbraw/zinc/08/08/29/219080829.db2.gz OVYMWJFNQQOJBU-QGZVFWFLSA-N 0 0 328.493 5.182 10 30 EKEERN CCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCC ZINC000098084546 219081132 /nfs/dbraw/zinc/08/11/32/219081132.db2.gz OVYMWJFNQQOJBU-KRWDZBQOSA-N 0 0 328.493 5.182 10 30 EKEERN COC(=O)c1ccccc1/N=C/[C@@H]1CC[C@@H]2CCCC(C)(C)[C@H]2C1 ZINC000098089871 219082764 /nfs/dbraw/zinc/08/27/64/219082764.db2.gz SJHLAFMMKQEUGX-ABSSEMEBSA-N 0 0 327.468 5.418 10 30 EKEERN COC(=O)c1ccccc1/N=C/[C@@H]1CC[C@H]2CCCC(C)(C)[C@H]2C1 ZINC000098089872 219083030 /nfs/dbraw/zinc/08/30/30/219083030.db2.gz SJHLAFMMKQEUGX-YPVDEAKLSA-N 0 0 327.468 5.418 10 30 EKEERN COC(=O)c1ccccc1/N=C/[C@H]1CC[C@H]2[C@@H](CCCC2(C)C)C1 ZINC000098089875 219083419 /nfs/dbraw/zinc/08/34/19/219083419.db2.gz BJFMNRCWKQIHCW-PTUCUTFRSA-N 0 0 327.468 5.418 10 30 EKEERN COC(=O)c1ccccc1/N=C/[C@H]1CC[C@H]2[C@H](CCCC2(C)C)C1 ZINC000098089876 203985232 /nfs/dbraw/zinc/98/52/32/203985232.db2.gz BJFMNRCWKQIHCW-HFRACECISA-N 0 0 327.468 5.418 10 30 EKEERN COC(=O)c1ccccc1/N=C/[C@@H]1CCC[C@@H]2CCCC(C)(C)[C@@H]12 ZINC000098089877 219082767 /nfs/dbraw/zinc/08/27/67/219082767.db2.gz SOVXORZTOMBPOG-OXCIBKSSSA-N 0 0 327.468 5.418 10 30 EKEERN COC(=O)c1ccccc1/N=C/[C@@H]1CCC[C@H]2CCCC(C)(C)[C@@H]12 ZINC000098089878 219082928 /nfs/dbraw/zinc/08/29/28/219082928.db2.gz SOVXORZTOMBPOG-AORLAAGVSA-N 0 0 327.468 5.418 10 30 EKEERN COC(=O)c1ccccc1/N=C/[C@H]1CCC[C@H]2[C@@H]1CCCC2(C)C ZINC000098089880 219082859 /nfs/dbraw/zinc/08/28/59/219082859.db2.gz DMPINOODRVJTTC-YPVDEAKLSA-N 0 0 327.468 5.418 10 30 EKEERN CCCC#Cc1nc(C#CCCC)c(Cl)c(-c2ccc(C)cc2)n1 ZINC000098178007 219086493 /nfs/dbraw/zinc/08/64/93/219086493.db2.gz GGMKEFMQHSNJOF-UHFFFAOYSA-N 0 0 336.866 5.409 10 30 EKEERN COc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1O ZINC000100031621 219089016 /nfs/dbraw/zinc/08/90/16/219089016.db2.gz XEFXXXMVVOLRHR-XDJDQNRRSA-N 0 0 331.375 5.567 10 30 EKEERN O=[N+]([O-])c1ccccc1/C=N/c1ccc(/N=N/c2ccccc2)cc1 ZINC000100032371 527396960 /nfs/dbraw/zinc/39/69/60/527396960.db2.gz BSDRJYFOOLONSP-CZPSDBATSA-N 0 0 330.347 5.761 10 30 EKEERN CSc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000100033399 219088785 /nfs/dbraw/zinc/08/87/85/219088785.db2.gz HQFRIWZOUPTYNO-OLVHUCRGSA-N 0 0 331.444 6.575 10 30 EKEERN Cc1cc(C)c(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c(C)c1 ZINC000100033633 524214343 /nfs/dbraw/zinc/21/43/43/524214343.db2.gz HFVMZASMPFAEAU-DPWLSMTKSA-N 0 0 327.431 6.778 10 30 EKEERN CCCOC(=O)c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 ZINC000100033920 219088997 /nfs/dbraw/zinc/08/89/97/219088997.db2.gz XHEKWOAUNJYWLT-RGVLZGJSSA-N 0 0 336.218 5.311 10 30 EKEERN CCCCCCCCCCCCCC[C@@H](OCC)C(=O)OCC ZINC000100034975 219089348 /nfs/dbraw/zinc/08/93/48/219089348.db2.gz OJXNMAAXQUQSHU-LJQANCHMSA-N 0 0 328.537 6.046 10 30 EKEERN O=C(Nc1cccc(Cl)c1)c1cccc(/N=C/c2cccs2)c1 ZINC000100039151 219089012 /nfs/dbraw/zinc/08/90/12/219089012.db2.gz GQLHQCGTLKXBKD-UDWIEESQSA-N 0 0 340.835 5.404 10 30 EKEERN Cc1c(/N=C/c2c3ccccc3cc3ccccc23)cccc1[N+](=O)[O-] ZINC000100041589 219088857 /nfs/dbraw/zinc/08/88/57/219088857.db2.gz SSJYMQFJTGPOBY-OEAKJJBVSA-N 0 0 340.382 5.960 10 30 EKEERN Cc1c(Cl)cccc1/N=C/c1c2ccccc2cc2ccccc21 ZINC000100041594 525750000 /nfs/dbraw/zinc/75/00/00/525750000.db2.gz DVGCPGCFZRPFMD-ZVHZXABRSA-N 0 0 329.830 6.705 10 30 EKEERN COc1ccc(OC)c(/N=C/c2c3ccccc3cc3ccccc32)c1 ZINC000100041599 219088920 /nfs/dbraw/zinc/08/89/20/219088920.db2.gz ASVIVJCNBUEITI-BUVRLJJBSA-N 0 0 341.410 5.761 10 30 EKEERN COC(=O)c1ccc(/N=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000100041654 203988670 /nfs/dbraw/zinc/98/86/70/203988670.db2.gz BASLJLFFLLVKRQ-BUVRLJJBSA-N 0 0 339.394 5.530 10 30 EKEERN CCCCCCCCCCCC(=O)OCCCCCCCC(C)C ZINC000100061998 219090164 /nfs/dbraw/zinc/09/01/64/219090164.db2.gz UOFXSBOAZYCBAV-UHFFFAOYSA-N 0 0 340.592 7.447 10 30 EKEERN CC(=O)Nc1ccc(/N=C\c2c3ccccc3cc3ccccc32)cc1 ZINC000100070228 219089957 /nfs/dbraw/zinc/08/99/57/219089957.db2.gz PHJCTFKURIMYMG-IWIPYMOSSA-N 0 0 338.410 5.702 10 30 EKEERN Clc1ccc(C(N=Nc2ccccc2)N=Nc2ccccc2)cc1 ZINC000100116547 219091828 /nfs/dbraw/zinc/09/18/28/219091828.db2.gz GGXMARXENIIWPQ-MTCNYLKESA-N 0 0 334.810 5.898 10 30 EKEERN CCCCCCCCCCCCc1ccccc1Oc1ccccc1 ZINC000100118940 219091325 /nfs/dbraw/zinc/09/13/25/219091325.db2.gz LGNQGTFARHLQFB-UHFFFAOYSA-N 0 0 338.535 7.942 10 30 EKEERN CCCCCCCCCCCCC/C(=N/O)c1ccc(O)cc1O ZINC000100166795 219093681 /nfs/dbraw/zinc/09/36/81/219093681.db2.gz QCIPLZVFMUUCEI-VZCXRCSSSA-N 0 0 335.488 5.977 10 30 EKEERN CCCCCCCCCCCCC/C(=N/O)c1cc(O)ccc1O ZINC000100166808 219093226 /nfs/dbraw/zinc/09/32/26/219093226.db2.gz XECDFMWMUFTYPP-VZCXRCSSSA-N 0 0 335.488 5.977 10 30 EKEERN CCCCCCCCCCCCC/C(=N/O)c1cc(OC)ccc1O ZINC000100166813 519985531 /nfs/dbraw/zinc/98/55/31/519985531.db2.gz MFCCSBSLBJTUHE-XDOYNYLZSA-N 0 0 349.515 6.280 10 30 EKEERN CCCCCCCC/C=C\CCCCCCCCCCC(=O)OC ZINC000100168511 219093365 /nfs/dbraw/zinc/09/33/65/219093365.db2.gz FWLFWYPHJIFFGY-KHPPLWFESA-N 0 0 338.576 7.367 10 30 EKEERN Clc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)c(Cl)c1 ZINC000100201152 219094282 /nfs/dbraw/zinc/09/42/82/219094282.db2.gz ZXSBQDVGNPRYKB-XKZIYDEJSA-N 0 0 342.225 6.536 10 30 EKEERN Clc1ccc(/C=N\c2ccc(Nc3ccccc3)cc2)c(Cl)c1 ZINC000100201157 219093984 /nfs/dbraw/zinc/09/39/84/219093984.db2.gz PKAFCTOVYRNDDB-XKZIYDEJSA-N 0 0 341.241 6.488 10 30 EKEERN COc1ccc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)cc1OC ZINC000100202374 203990986 /nfs/dbraw/zinc/99/09/86/203990986.db2.gz MHPXMJFCIITESD-JZGVUXKISA-N 0 0 345.402 5.870 10 30 EKEERN O=[N+]([O-])c1ccc(/C=N\c2ccc(/N=N\c3ccccc3)cc2)cc1 ZINC000100204331 219094373 /nfs/dbraw/zinc/09/43/73/219094373.db2.gz XVZBPJGSCADVSP-BKEKRWCUSA-N 0 0 330.347 5.761 10 30 EKEERN Cc1ccc([N+](=O)[O-])cc1/N=C\c1ccc(OCc2ccccc2)cc1 ZINC000100206822 219094168 /nfs/dbraw/zinc/09/41/68/219094168.db2.gz TVZDRVMEWVLSBO-HMAPJEAMSA-N 0 0 346.386 5.233 10 30 EKEERN CN(C)c1ccc(/C=N\c2ccc(/N=N\c3ccccc3)cc2)cc1 ZINC000100207040 219094342 /nfs/dbraw/zinc/09/43/42/219094342.db2.gz ANVNKXRBBOYIFU-AALFRPCNSA-N 0 0 328.419 5.919 10 30 EKEERN CSc1ccc(/C=N\c2ccc(/N=N\c3ccccc3)cc2)cc1 ZINC000100207090 219094037 /nfs/dbraw/zinc/09/40/37/219094037.db2.gz HQFRIWZOUPTYNO-GZLYRTHNSA-N 0 0 331.444 6.575 10 30 EKEERN O=[N+]([O-])c1ccc(/N=C\c2c3ccccc3cc3ccccc32)cc1 ZINC000100210806 203991730 /nfs/dbraw/zinc/99/17/30/203991730.db2.gz TUWBQJMDQGUWGQ-HMAPJEAMSA-N 0 0 326.355 5.652 10 30 EKEERN O=[N+]([O-])c1cccc(/N=C\c2c3ccccc3cc3ccccc32)c1 ZINC000100210867 219094304 /nfs/dbraw/zinc/09/43/04/219094304.db2.gz SHXGGWZYEQOILJ-HMAPJEAMSA-N 0 0 326.355 5.652 10 30 EKEERN O=[N+]([O-])c1ccccc1/N=C\c1c2ccccc2cc2ccccc21 ZINC000100210928 219094205 /nfs/dbraw/zinc/09/42/05/219094205.db2.gz SGGKUFMUFXLEIP-HMAPJEAMSA-N 0 0 326.355 5.652 10 30 EKEERN C(=N\c1cccc2c(/N=C\c3cccs3)cccc12)\c1cccs1 ZINC000100212169 219094181 /nfs/dbraw/zinc/09/41/81/219094181.db2.gz WHOFHRYOTYNCSS-JZTLMNBPSA-N 0 0 346.480 6.464 10 30 EKEERN C(=N/c1cccc2c(/N=C\c3cccs3)cccc12)\c1cccs1 ZINC000100212175 219094046 /nfs/dbraw/zinc/09/40/46/219094046.db2.gz WHOFHRYOTYNCSS-VOKWCDJLSA-N 0 0 346.480 6.464 10 30 EKEERN Cc1cc([N+](=O)[O-])ccc1/N=C\c1c2ccccc2cc2ccccc12 ZINC000100214169 219094406 /nfs/dbraw/zinc/09/44/06/219094406.db2.gz DTJGDQZUGNNHDV-UCQKPKSFSA-N 0 0 340.382 5.960 10 30 EKEERN Cc1ccc([N+](=O)[O-])cc1/N=C\c1c2ccccc2cc2ccccc12 ZINC000100214600 219094333 /nfs/dbraw/zinc/09/43/33/219094333.db2.gz FKICJRHGUXLTBD-UCQKPKSFSA-N 0 0 340.382 5.960 10 30 EKEERN CCOc1ccc(/N=C\c2c3ccccc3cc3ccccc32)cc1 ZINC000100220295 219094949 /nfs/dbraw/zinc/09/49/49/219094949.db2.gz NTYMUKJJUCRQRB-JLPGSUDCSA-N 0 0 325.411 6.142 10 30 EKEERN CCCCCCCc1nc(Br)sc1Br ZINC000100290337 219096052 /nfs/dbraw/zinc/09/60/52/219096052.db2.gz IYABYLIMZHIZMN-UHFFFAOYSA-N 0 0 341.112 5.181 10 30 EKEERN C=C(c1ccc(CCCCCCC)cc1)c1ccc(OCCC)cc1 ZINC000100297150 518654932 /nfs/dbraw/zinc/65/49/32/518654932.db2.gz FCRRHENEPCOJGE-UHFFFAOYSA-N 0 0 336.519 7.050 10 30 EKEERN c1ccc([C@@H]2O[C@@H]2[C@@]2(c3ccccc3)Nc3ccccc3S2)cc1 ZINC000100299792 219095945 /nfs/dbraw/zinc/09/59/45/219095945.db2.gz ZEUYIQIOKFNOJX-ACRUOGEOSA-N 0 0 331.440 5.197 10 30 EKEERN CCCCCC/C=C/CC/C=C/CCCCCCCCCCCCC ZINC000100303809 219095905 /nfs/dbraw/zinc/09/59/05/219095905.db2.gz PJVWXEURPGIPNW-IDQXUSCUSA-N 0 0 348.659 9.551 10 30 EKEERN CCCCCCCCCCCCc1ccccc1S(=O)(=O)OC ZINC000100304190 520014760 /nfs/dbraw/zinc/01/47/60/520014760.db2.gz AIXYHMWIAPSTQG-UHFFFAOYSA-N 0 0 340.529 5.485 10 30 EKEERN CCCCCCCCCCCCCCCCCC(=O)OCCOC ZINC000100307354 219096943 /nfs/dbraw/zinc/09/69/43/219096943.db2.gz WWFMRRQOYPKLIM-UHFFFAOYSA-N 0 0 342.564 6.438 10 30 EKEERN CCCCCCCCCCCCCCCCCCOC(=O)[C@@H](C)O ZINC000100309282 219096894 /nfs/dbraw/zinc/09/68/94/219096894.db2.gz UKGRTCZMPQERFQ-HXUWFJFHSA-N 0 0 342.564 6.172 10 30 EKEERN CCCCCCCCCCCCCCCCCCOCCCO ZINC000100309568 564077343 /nfs/dbraw/zinc/07/73/43/564077343.db2.gz ZNVBMQIWZIDDCS-UHFFFAOYSA-N 0 0 328.581 6.647 10 30 EKEERN CCCCCCCCCCCCOC(=O)CCCCCCCCC ZINC000100311180 219096574 /nfs/dbraw/zinc/09/65/74/219096574.db2.gz MNOODXPYABBZMC-UHFFFAOYSA-N 0 0 340.592 7.591 10 30 EKEERN CCCCCCCCOC(=O)CCC(=O)OCCCCCCCC ZINC000100313378 219097054 /nfs/dbraw/zinc/09/70/54/219097054.db2.gz KWABLUYIOFEZOY-UHFFFAOYSA-N 0 0 342.520 5.574 10 30 EKEERN CCCCCCCCOc1ccc(/N=N/c2ccc(N)cc2)cc1 ZINC000100324971 219096723 /nfs/dbraw/zinc/09/67/23/219096723.db2.gz NRRWFCWIWAMCPJ-GHVJWSGMSA-N 0 0 325.456 6.424 10 30 EKEERN CSc1nsc(C=CNc2ccccc2-c2ccccc2)c1C#N ZINC000100381578 219097434 /nfs/dbraw/zinc/09/74/34/219097434.db2.gz BUVMQDNPOJMONK-QXMHVHEDSA-N 0 0 349.484 5.486 10 30 EKEERN CCCCCCCCCCCCCCc1cc(Cl)c(C)cc1O ZINC000100392853 520007369 /nfs/dbraw/zinc/00/73/69/520007369.db2.gz CUNQNPBLNXQQNP-UHFFFAOYSA-N 0 0 338.963 7.598 10 30 EKEERN F/C(=C(C(=C\C(F)(F)F)/C(F)(F)F)\C(F)(F)F)C(F)(F)F ZINC000100423643 219098992 /nfs/dbraw/zinc/09/89/92/219098992.db2.gz DPXNAJTXBVCZPB-XLFBNKDWSA-N 0 0 344.070 5.386 10 30 EKEERN F/C(=C(C(=C/C(F)(F)F)\C(F)(F)F)/C(F)(F)F)C(F)(F)F ZINC000100423646 219098850 /nfs/dbraw/zinc/09/88/50/219098850.db2.gz DPXNAJTXBVCZPB-MVJNYCIBSA-N 0 0 344.070 5.386 10 30 EKEERN C(=N/c1ccc2ccccc2c1)\c1ccc(Sc2ccccc2)o1 ZINC000100430328 219099126 /nfs/dbraw/zinc/09/91/26/219099126.db2.gz UNUBAJBLAOECAA-PXLXIMEGSA-N 0 0 329.424 6.335 10 30 EKEERN Oc1ccc(Br)cc1/C=N\c1ccc(Cl)cc1Cl ZINC000100456721 219099820 /nfs/dbraw/zinc/09/98/20/219099820.db2.gz BMEZBEZNZSHTTB-IDUWFGFVSA-N 0 0 345.023 5.212 10 30 EKEERN Oc1ccc(Br)cc1/C=N\c1ccc(Cl)c(Cl)c1 ZINC000100456884 219099962 /nfs/dbraw/zinc/09/99/62/219099962.db2.gz QLEALEXAWIYIOB-IDUWFGFVSA-N 0 0 345.023 5.212 10 30 EKEERN Oc1ccc(Br)cc1/C=N\c1cc(Cl)cc(Cl)c1 ZINC000100456901 219099683 /nfs/dbraw/zinc/09/96/83/219099683.db2.gz UHGJKERLQDVILY-IDUWFGFVSA-N 0 0 345.023 5.212 10 30 EKEERN O=[N+]([O-])c1ccc(Cl)c(/C=N\c2cc(Cl)cc(Cl)c2)c1 ZINC000100479869 219100598 /nfs/dbraw/zinc/10/05/98/219100598.db2.gz CQTHWAXRSQWZHU-IDUWFGFVSA-N 0 0 329.570 5.306 10 30 EKEERN CCOc1ccc(/C=N\c2ccc(Br)c(Cl)c2)cc1 ZINC000100480063 206243787 /nfs/dbraw/zinc/24/37/87/206243787.db2.gz GFYWRJXJLZCAEN-ZDLGFXPLSA-N 0 0 338.632 5.252 10 30 EKEERN Clc1cccc(Cl)c1/C=N\c1ccc(Br)cc1 ZINC000100480070 219100443 /nfs/dbraw/zinc/10/04/43/219100443.db2.gz IZKXYVQWWOQLOW-IUXPMGMMSA-N 0 0 329.024 5.507 10 30 EKEERN O=[N+]([O-])c1cc(/C=N\c2cc(Cl)cc(Cl)c2)ccc1Cl ZINC000100480104 219100737 /nfs/dbraw/zinc/10/07/37/219100737.db2.gz VQMAHYUXPYNCIQ-IDUWFGFVSA-N 0 0 329.570 5.306 10 30 EKEERN O=[N+]([O-])c1ccc(/C=N/c2cc(C(F)(F)F)ccc2Cl)s1 ZINC000100480177 219100672 /nfs/dbraw/zinc/10/06/72/219100672.db2.gz OLFNEMLZCICSFU-UBKPWBPPSA-N 0 0 334.706 5.079 10 30 EKEERN CC(=O)c1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000100481256 219100760 /nfs/dbraw/zinc/10/07/60/219100760.db2.gz ABOZFKFLZRTOEK-HAHDFKILSA-N 0 0 329.399 5.219 10 30 EKEERN Cc1ccc2c(c1)/C(=N\C1CCCCC1)c1cc3ccccc3nc1-2 ZINC000100482805 219100607 /nfs/dbraw/zinc/10/06/07/219100607.db2.gz VXAWNYJOYYDGBG-WCWDXBQESA-N 0 0 326.443 5.694 10 30 EKEERN CC(F)(F)C(F)(F)C(C(F)=C(F)F)(C(F)(F)F)C(F)(F)F ZINC000100495070 219100304 /nfs/dbraw/zinc/10/03/04/219100304.db2.gz OPJBVDBVDAPGMS-UHFFFAOYSA-N 0 0 346.086 5.466 10 30 EKEERN C=CCN1c2cc(Cl)ccc2N=C(c2ccccc2Cl)CC1=O ZINC000100898167 219109905 /nfs/dbraw/zinc/10/99/05/219109905.db2.gz GGAKSUMOAXCYOK-UHFFFAOYSA-N 0 0 345.229 5.037 10 30 EKEERN Cc1ccc(NC=CC(=O)c2ccc(Br)cc2)c(C)c1 ZINC000100974958 564017138 /nfs/dbraw/zinc/01/71/38/564017138.db2.gz NAWMGICTDYOABT-QUBPRYNHSA-N 0 0 330.225 5.367 10 30 EKEERN CCCCCCCCOc1ccc(OC(=O)c2ccc(O)cc2)cc1 ZINC000101005932 219113830 /nfs/dbraw/zinc/11/38/30/219113830.db2.gz AUAHEIHXXJDSAG-UHFFFAOYSA-N 0 0 342.435 5.351 10 30 EKEERN CN1c2ccccc2C(C)(C)/C1=C\C(=O)c1ccc(Cl)cc1Cl ZINC000101016871 204001003 /nfs/dbraw/zinc/00/10/03/204001003.db2.gz LKHDNTGUFQINBR-WOJGMQOQSA-N 0 0 346.257 5.488 10 30 EKEERN CCCCCCCCCCCCCCCCCCc1ccccc1C ZINC000101235094 519996769 /nfs/dbraw/zinc/99/67/69/519996769.db2.gz JJSNBRUUOSMXBN-UHFFFAOYSA-N 0 0 344.627 8.799 10 30 EKEERN CC1(C)CC(=CC=Nc2ccccc2)C=C(C=CNc2ccccc2)C1 ZINC000101322187 204003587 /nfs/dbraw/zinc/00/35/87/204003587.db2.gz JTEKENXRFZWTRU-KCKLNXNRSA-N 0 0 342.486 6.688 10 30 EKEERN CC1(C)CC(=CC=Nc2ccccc2)C=C(C=CNc2ccccc2)C1 ZINC000101322188 204003512 /nfs/dbraw/zinc/00/35/12/204003512.db2.gz JTEKENXRFZWTRU-RTDYMMRNSA-N 0 0 342.486 6.688 10 30 EKEERN CC1(C)CC(=CC=Nc2ccccc2)C=C(C=CNc2ccccc2)C1 ZINC000101322189 219121534 /nfs/dbraw/zinc/12/15/34/219121534.db2.gz JTEKENXRFZWTRU-DRFCJIMHSA-N 0 0 342.486 6.688 10 30 EKEERN CC1(C)CC(=CC=Nc2ccccc2)C=C(C=CNc2ccccc2)C1 ZINC000101322190 219121250 /nfs/dbraw/zinc/12/12/50/219121250.db2.gz JTEKENXRFZWTRU-HGVSEBJWSA-N 0 0 342.486 6.688 10 30 EKEERN CN1c2ccccc2C(C)(C)/C1=C/C=C\C=C1\Cc2ccccc2C1=O ZINC000101322198 219121541 /nfs/dbraw/zinc/12/15/41/219121541.db2.gz DEWLJBKRIUSZAA-AFUFGAPISA-N 0 0 341.454 5.220 10 30 EKEERN CN1c2ccccc2C(C)(C)/C1=C/C=C/C=C1/Cc2ccccc2C1=O ZINC000101322199 204003384 /nfs/dbraw/zinc/00/33/84/204003384.db2.gz DEWLJBKRIUSZAA-VFLWCUKVSA-N 0 0 341.454 5.220 10 30 EKEERN COc1ccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000101414095 524379341 /nfs/dbraw/zinc/37/93/41/524379341.db2.gz IDFFZMXMENBGAE-NXVVXOECSA-N 0 0 329.399 5.171 10 30 EKEERN Cc1ccc(/C=N\c2nc3ccccc3n2Cc2ccc(Cl)cc2)o1 ZINC000101499928 219128968 /nfs/dbraw/zinc/12/89/68/219128968.db2.gz MBIMFXBUTUJACV-UUYOSTAYSA-N 0 0 349.821 5.390 10 30 EKEERN C=C(C)C(=O)NCCCCCCCCCCCCCCCCCC ZINC000101712385 219158291 /nfs/dbraw/zinc/15/82/91/219158291.db2.gz PABGQABTFFNYFH-UHFFFAOYSA-N 0 0 337.592 6.940 10 30 EKEERN CCCCCCCSc1nc(-c2ccc(Cl)cc2)cs1 ZINC000101726800 204019137 /nfs/dbraw/zinc/01/91/37/204019137.db2.gz DFNOHJHARYUVMK-UHFFFAOYSA-N 0 0 325.930 6.526 10 30 EKEERN N#Cc1ccc(-c2ccc(NN=C3C=Cc4ccccc4C3=O)cc2)cc1 ZINC000101794489 219165136 /nfs/dbraw/zinc/16/51/36/219165136.db2.gz FLWHHTYEZKELCS-QPLCGJKRSA-N 0 0 349.393 6.499 10 30 EKEERN CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C)C ZINC000101817773 219166469 /nfs/dbraw/zinc/16/64/69/219166469.db2.gz GXJLQJFVFMCVHG-VAWYXSNFSA-N 0 0 338.576 7.223 10 30 EKEERN CCCCCCCCCn1c(Cc2cccs2)nc2ccccc21 ZINC000101906659 219171128 /nfs/dbraw/zinc/17/11/28/219171128.db2.gz WMJVYQCYMOCXSE-UHFFFAOYSA-N 0 0 340.536 6.439 10 30 EKEERN CCCCCCCCn1c(Cc2cccs2)nc2ccccc21 ZINC000101906663 204025155 /nfs/dbraw/zinc/02/51/55/204025155.db2.gz JVUDIGRBDJVHNT-UHFFFAOYSA-N 0 0 326.509 6.049 10 30 EKEERN CCCCCCCCCn1c2ccccc2nc1-c1ccccc1F ZINC000101907681 204026288 /nfs/dbraw/zinc/02/62/88/204026288.db2.gz UVVAHEYCZNZKDH-UHFFFAOYSA-N 0 0 338.470 6.593 10 30 EKEERN CC1(C)CC(=O)C2=C(C1)NC(c1ccccc1)=C[C@H]2c1ccccc1 ZINC000102069378 219184403 /nfs/dbraw/zinc/18/44/03/219184403.db2.gz DCKQOTCYLKBLLM-SFHVURJKSA-N 0 0 329.443 5.058 10 30 EKEERN CC1(C)CC(=O)C2=C(C1)NC(c1ccccc1)=C[C@@H]2c1ccccc1 ZINC000102069384 201388446 /nfs/dbraw/zinc/38/84/46/201388446.db2.gz DCKQOTCYLKBLLM-GOSISDBHSA-N 0 0 329.443 5.058 10 30 EKEERN CCCCCCCCCn1c(CNC(=O)CCC)nc2ccccc21 ZINC000102119658 219186565 /nfs/dbraw/zinc/18/65/65/219186565.db2.gz JGTYEJWNLAIPIB-UHFFFAOYSA-N 0 0 343.515 5.203 10 30 EKEERN CCCCCCCCn1c(CNC(=O)C(C)(C)C)nc2ccccc21 ZINC000102121828 219187086 /nfs/dbraw/zinc/18/70/86/219187086.db2.gz MCDMEWSCEGZUNC-UHFFFAOYSA-N 0 0 343.515 5.059 10 30 EKEERN CCCCCCCCn1c2ccccc2nc1-c1ccc(C)cc1C ZINC000102162056 219188085 /nfs/dbraw/zinc/18/80/85/219188085.db2.gz FMOMFIGARCPZLU-UHFFFAOYSA-N 0 0 334.507 6.681 10 30 EKEERN CCCCCCCCCn1c2ccccc2nc1-c1ccc(C)cc1C ZINC000102162062 219188011 /nfs/dbraw/zinc/18/80/11/219188011.db2.gz AVQZVRBZXXRNOF-UHFFFAOYSA-N 0 0 348.534 7.071 10 30 EKEERN CCCCCCCn1c2ccccc2nc1Cc1ccccc1Cl ZINC000102182104 219189580 /nfs/dbraw/zinc/18/95/80/219189580.db2.gz PDCGURYDCOFGOS-UHFFFAOYSA-N 0 0 340.898 6.251 10 30 EKEERN CCCCCCCCn1c2ccccc2nc1Cc1ccccc1C ZINC000102182781 219189797 /nfs/dbraw/zinc/18/97/97/219189797.db2.gz HEHRXLIJVAZATL-UHFFFAOYSA-N 0 0 334.507 6.296 10 30 EKEERN CCCCCCCCCn1c2ccccc2nc1Cc1ccccc1C ZINC000102182787 219190097 /nfs/dbraw/zinc/19/00/97/219190097.db2.gz UGJCCXILNDFOSR-UHFFFAOYSA-N 0 0 348.534 6.686 10 30 EKEERN CCCCCCCCCCCCn1c(COC)nc2ccccc21 ZINC000102184574 219189411 /nfs/dbraw/zinc/18/94/11/219189411.db2.gz TXWLYOYBLAKRFJ-UHFFFAOYSA-N 0 0 330.516 6.104 10 30 EKEERN CCCCCCCn1c(COc2ccccc2C)nc2ccccc21 ZINC000102186135 219190337 /nfs/dbraw/zinc/19/03/37/219190337.db2.gz PGULNIXWRZHPAE-UHFFFAOYSA-N 0 0 336.479 5.894 10 30 EKEERN CCCCCCCn1c(COc2cccc(C)c2)nc2ccccc21 ZINC000102186401 204034756 /nfs/dbraw/zinc/03/47/56/204034756.db2.gz RWUOEZYCACTZQN-UHFFFAOYSA-N 0 0 336.479 5.894 10 30 EKEERN CCCCCCCCCn1c(/C=C/c2ccco2)nc2ccccc21 ZINC000102192555 204035296 /nfs/dbraw/zinc/03/52/96/204035296.db2.gz DXIQVOZLBOPABL-FOCLMDBBSA-N 0 0 336.479 6.550 10 30 EKEERN CCCCCCCCCCCn1c2ccccc2nc1-c1ccco1 ZINC000102193696 219190257 /nfs/dbraw/zinc/19/02/57/219190257.db2.gz ZPOXEGLIALPLAK-UHFFFAOYSA-N 0 0 338.495 6.827 10 30 EKEERN CCCCCCCCCn1c2ccccc2nc1-c1cccs1 ZINC000102194026 219190799 /nfs/dbraw/zinc/19/07/99/219190799.db2.gz FEEBCDXVEHIZCA-UHFFFAOYSA-N 0 0 326.509 6.515 10 30 EKEERN CCCCCCCCCCn1c2ccccc2nc1-c1cccs1 ZINC000102194033 219190322 /nfs/dbraw/zinc/19/03/22/219190322.db2.gz WOKOBYJPTWFQPA-UHFFFAOYSA-N 0 0 340.536 6.906 10 30 EKEERN CCCCCCCCCn1c2ccccc2nc1-c1ccccc1C ZINC000102195051 204034571 /nfs/dbraw/zinc/03/45/71/204034571.db2.gz ZRLMKCOKRCUNBE-UHFFFAOYSA-N 0 0 334.507 6.762 10 30 EKEERN CCCCCCCCCCn1c2ccccc2nc1-c1ccccc1C ZINC000102195055 219190797 /nfs/dbraw/zinc/19/07/97/219190797.db2.gz BGDAYCDJBRQHTJ-UHFFFAOYSA-N 0 0 348.534 7.152 10 30 EKEERN CCCCCCCCCn1c2ccccc2nc1-c1cccc(C)c1 ZINC000102195304 219190901 /nfs/dbraw/zinc/19/09/01/219190901.db2.gz JXDWCUPBIUKPJA-UHFFFAOYSA-N 0 0 334.507 6.762 10 30 EKEERN CCCCCCCCCCn1c2ccccc2nc1-c1cccc(C)c1 ZINC000102195308 219190795 /nfs/dbraw/zinc/19/07/95/219190795.db2.gz ZXNFBJSJKNLEMA-UHFFFAOYSA-N 0 0 348.534 7.152 10 30 EKEERN CCCCCCCn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000102195732 204034770 /nfs/dbraw/zinc/03/47/70/204034770.db2.gz OLTWGKWZPPNRLU-UHFFFAOYSA-N 0 0 326.871 6.327 10 30 EKEERN CCCCCCCCn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000102195736 219190589 /nfs/dbraw/zinc/19/05/89/219190589.db2.gz QHHRPMKWFSJJIW-UHFFFAOYSA-N 0 0 340.898 6.717 10 30 EKEERN CCCCCCCn1c2ccccc2nc1-c1cccc(Cl)c1 ZINC000102197492 219190335 /nfs/dbraw/zinc/19/03/35/219190335.db2.gz YLGRLSAAZWXZCV-UHFFFAOYSA-N 0 0 326.871 6.327 10 30 EKEERN CCCCCCCCCCCC[C@H](CO)CCCCCCCC ZINC000102214261 204034580 /nfs/dbraw/zinc/03/45/80/204034580.db2.gz AIFYEUWTOFTMPG-JOCHJYFZSA-N 0 0 326.609 7.657 10 30 EKEERN CCCCCCCCCCCn1c(CNC(C)=O)nc2ccccc21 ZINC000102215496 204035015 /nfs/dbraw/zinc/03/50/15/204035015.db2.gz NMMWBULOGSPUMM-UHFFFAOYSA-N 0 0 343.515 5.203 10 30 EKEERN CCCCCCCCCCn1c(CNC(=O)CC)nc2ccccc21 ZINC000102215726 219191433 /nfs/dbraw/zinc/19/14/33/219191433.db2.gz UMDOIIVHAFJILQ-UHFFFAOYSA-N 0 0 343.515 5.203 10 30 EKEERN CCCCCCCCCn1c(CNC(=O)C(C)C)nc2ccccc21 ZINC000102215973 219191422 /nfs/dbraw/zinc/19/14/22/219191422.db2.gz LEHVBYLFASYNIW-UHFFFAOYSA-N 0 0 343.515 5.059 10 30 EKEERN CCCCCCCn1c(CNC(=O)C(CC)CC)nc2ccccc21 ZINC000102216172 204035051 /nfs/dbraw/zinc/03/50/51/204035051.db2.gz ISJUKILLWPFMOC-UHFFFAOYSA-N 0 0 343.515 5.059 10 30 EKEERN CCCCCCCCCOC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000102413789 564020006 /nfs/dbraw/zinc/02/00/06/564020006.db2.gz SHUSCLIWCKKINB-UHFFFAOYSA-N 0 0 348.512 5.403 10 30 EKEERN COc1cccc2c1CCC(=O)/C2=C/c1c(Cl)cccc1Cl ZINC000103067878 219252277 /nfs/dbraw/zinc/25/22/77/219252277.db2.gz XESAMCLETGMKCY-JLHYYAGUSA-N 0 0 333.214 5.058 10 30 EKEERN COc1cccc2c1CCC(=O)/C2=C/c1ccc(Cl)cc1Cl ZINC000103071218 219252512 /nfs/dbraw/zinc/25/25/12/219252512.db2.gz WIBUXXSWOUVHRO-OQLLNIDSSA-N 0 0 333.214 5.058 10 30 EKEERN COc1cccc2c1CCC(=O)/C2=C/c1ccc(Cl)c(Cl)c1 ZINC000103072641 219252313 /nfs/dbraw/zinc/25/23/13/219252313.db2.gz PUDQPEDPFDTVQC-NTEUORMPSA-N 0 0 333.214 5.058 10 30 EKEERN O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000103214101 219271963 /nfs/dbraw/zinc/27/19/63/219271963.db2.gz MDFAUKNIVKXJPQ-QHHAFSJGSA-N 0 0 346.040 6.196 10 30 EKEERN CCCCCCCCCCCCCCCCCC(=O)NCCCO ZINC000103219264 219271957 /nfs/dbraw/zinc/27/19/57/219271957.db2.gz GTBODJTVLNPEEM-UHFFFAOYSA-N 0 0 341.580 5.747 10 30 EKEERN CCCCCCCCCCCCCCCCCC(=O)N(C)CCO ZINC000103219265 219271468 /nfs/dbraw/zinc/27/14/68/219271468.db2.gz UOFPCDKBJJVSSD-UHFFFAOYSA-N 0 0 341.580 5.699 10 30 EKEERN CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)OCC ZINC000103285898 219283382 /nfs/dbraw/zinc/28/33/82/219283382.db2.gz DTEMJWLYSQBXEL-MBFZXKRTSA-N 0 0 330.512 6.471 10 30 EKEERN O=C(/C=C\c1ccc(Cl)cc1)c1ccc(Nc2ccccc2)cc1 ZINC000103298027 219286503 /nfs/dbraw/zinc/28/65/03/219286503.db2.gz OTYMBEUTMYYVGC-NVNXTCNLSA-N 0 0 333.818 5.980 10 30 EKEERN CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103525273 219312604 /nfs/dbraw/zinc/31/26/04/219312604.db2.gz PFFDJSYFHFNXJA-UHFFFAOYSA-N 0 0 326.149 5.280 10 30 EKEERN CCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103525344 219312121 /nfs/dbraw/zinc/31/21/21/219312121.db2.gz PYNBFLPZZOMIKE-UHFFFAOYSA-N 0 0 340.176 5.670 10 30 EKEERN CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103525557 219312914 /nfs/dbraw/zinc/31/29/14/219312914.db2.gz XUFPCAMLAPZMPS-UHFFFAOYSA-N 0 0 332.250 6.205 10 30 EKEERN CCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103525637 219312716 /nfs/dbraw/zinc/31/27/16/219312716.db2.gz UJXMIOVGPWESNH-UHFFFAOYSA-N 0 0 346.277 6.595 10 30 EKEERN CCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)F ZINC000103525859 219312343 /nfs/dbraw/zinc/31/23/43/219312343.db2.gz USNIVSXISHIFBJ-UHFFFAOYSA-N 0 0 338.351 7.130 10 30 EKEERN CCCCCCCCCCCCCCCC(F)(F)C(F)(F)F ZINC000103526066 219312340 /nfs/dbraw/zinc/31/23/40/219312340.db2.gz YBHHMHJIYWRJNR-UHFFFAOYSA-N 0 0 330.425 7.665 10 30 EKEERN CCCCCCCCCCCCCCCCC(F)(F)C(F)(F)F ZINC000103526093 204082754 /nfs/dbraw/zinc/08/27/54/204082754.db2.gz FKABVZCIYRFXBN-UHFFFAOYSA-N 0 0 344.452 8.055 10 30 EKEERN CCCCCCCCCCCCCCCCCCCC(F)(F)F ZINC000103526246 219312215 /nfs/dbraw/zinc/31/22/15/219312215.db2.gz OILIHMLWISPAMY-UHFFFAOYSA-N 0 0 336.526 8.590 10 30 EKEERN CCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103530280 219312773 /nfs/dbraw/zinc/31/27/73/219312773.db2.gz WMAVUBFAZVFVCS-SNAWJCMRSA-N 0 0 338.160 5.446 10 30 EKEERN CCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103530491 219312319 /nfs/dbraw/zinc/31/23/19/219312319.db2.gz IICPDVVTTGLPAT-BQYQJAHWSA-N 0 0 330.234 5.981 10 30 EKEERN CCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103530572 219312886 /nfs/dbraw/zinc/31/28/86/219312886.db2.gz ZIUWQGYFMUPSFC-CMDGGOBGSA-N 0 0 344.261 6.371 10 30 EKEERN CCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)F ZINC000103530782 219312545 /nfs/dbraw/zinc/31/25/45/219312545.db2.gz DQYCIVFTHKZDJK-VAWYXSNFSA-N 0 0 336.335 6.906 10 30 EKEERN CCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)F ZINC000103530953 219312911 /nfs/dbraw/zinc/31/29/11/219312911.db2.gz LLBRMJFXBQCTCI-CCEZHUSRSA-N 0 0 328.409 7.441 10 30 EKEERN CCCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)F ZINC000103530986 219312304 /nfs/dbraw/zinc/31/23/04/219312304.db2.gz NSXNJKSTXCFDRM-FOCLMDBBSA-N 0 0 342.436 7.831 10 30 EKEERN CCCCCCCCCCCCCCCCC/C=C/C(F)(F)F ZINC000103531020 204082824 /nfs/dbraw/zinc/08/28/24/204082824.db2.gz MWYLTRCCSMARSF-VHEBQXMUSA-N 0 0 334.510 8.366 10 30 EKEERN CCCCCCCCCCCCCCCCCC/C=C/C(F)(F)F ZINC000103531055 219312472 /nfs/dbraw/zinc/31/24/72/219312472.db2.gz UNTCRVBUDHULRK-FMQUCBEESA-N 0 0 348.537 8.757 10 30 EKEERN F/C(=C\CC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103531072 219312668 /nfs/dbraw/zinc/31/26/68/219312668.db2.gz SVNSBMNCCQAJBL-IWQZZHSRSA-N 0 0 346.086 5.260 10 30 EKEERN F/C(=C\CC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103531119 219312541 /nfs/dbraw/zinc/31/25/41/219312541.db2.gz IGVITSLVCFQODG-IWQZZHSRSA-N 0 0 346.086 5.260 10 30 EKEERN F/C(=C\CC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F ZINC000103531196 204082852 /nfs/dbraw/zinc/08/28/52/204082852.db2.gz ZGLMBRPAIDDXLB-IWQZZHSRSA-N 0 0 346.086 5.260 10 30 EKEERN F/C(=C\CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000103531230 219312201 /nfs/dbraw/zinc/31/22/01/219312201.db2.gz OIFVPOGZPDZZRO-IWQZZHSRSA-N 0 0 346.086 5.260 10 30 EKEERN FC(F)=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103531287 219312560 /nfs/dbraw/zinc/31/25/60/219312560.db2.gz KTPWLEAJYDBSRL-UHFFFAOYSA-N 0 0 346.086 5.260 10 30 EKEERN CCCCCCCCCCCCCCCCCc1nc(C)nc(N)n1 ZINC000103600336 519998389 /nfs/dbraw/zinc/99/83/89/519998389.db2.gz MRQISBYLNBORDX-UHFFFAOYSA-N 0 0 348.579 6.176 10 30 EKEERN CCCCCCCCCCC[C@@H]1CC=C(CCCCCC)C(=O)O1 ZINC000103644408 204084755 /nfs/dbraw/zinc/08/47/55/204084755.db2.gz PNTFVBMYNOKWQP-OAQYLSRUSA-N 0 0 336.560 7.120 10 30 EKEERN CCCCCCCCO[C@@]1(C#N)C=CC(/N=C\c2ccccc2)=CC1 ZINC000103708648 219320064 /nfs/dbraw/zinc/32/00/64/219320064.db2.gz AKRZJIBDDZQELO-WPJOPHNKSA-N 0 0 336.479 5.589 10 30 EKEERN CCCCCCCCO[C@@]1(C#N)C=CC(/N=C/c2ccccc2)=CC1 ZINC000103708653 219319835 /nfs/dbraw/zinc/31/98/35/219319835.db2.gz AKRZJIBDDZQELO-UWODKOOBSA-N 0 0 336.479 5.589 10 30 EKEERN CCCCCCCCO[C@]1(C#N)C=CC(/N=C\c2ccccc2)=CC1 ZINC000103708657 219319589 /nfs/dbraw/zinc/31/95/89/219319589.db2.gz AKRZJIBDDZQELO-GRCQKCIOSA-N 0 0 336.479 5.589 10 30 EKEERN CCCCCCCCO[C@]1(C#N)C=CC(/N=C/c2ccccc2)=CC1 ZINC000103708663 219320228 /nfs/dbraw/zinc/32/02/28/219320228.db2.gz AKRZJIBDDZQELO-DNQXDJSBSA-N 0 0 336.479 5.589 10 30 EKEERN COC(=O)c1ccccc1/N=C\[C@@H]1CC[C@@H]2CCCC(C)(C)[C@H]2C1 ZINC000103823039 219324671 /nfs/dbraw/zinc/32/46/71/219324671.db2.gz SJHLAFMMKQEUGX-DPCSYZTBSA-N 0 0 327.468 5.418 10 30 EKEERN COC(=O)c1ccccc1/N=C\[C@@H]1CC[C@H]2CCCC(C)(C)[C@H]2C1 ZINC000103823046 219325029 /nfs/dbraw/zinc/32/50/29/219325029.db2.gz SJHLAFMMKQEUGX-KFPZVFEESA-N 0 0 327.468 5.418 10 30 EKEERN COC(=O)c1ccccc1/N=C\[C@H]1CC[C@H]2[C@@H](CCCC2(C)C)C1 ZINC000103823065 204087453 /nfs/dbraw/zinc/08/74/53/204087453.db2.gz BJFMNRCWKQIHCW-DLBFATBGSA-N 0 0 327.468 5.418 10 30 EKEERN COC(=O)c1ccccc1/N=C\[C@H]1CC[C@H]2[C@H](CCCC2(C)C)C1 ZINC000103823071 219325269 /nfs/dbraw/zinc/32/52/69/219325269.db2.gz BJFMNRCWKQIHCW-HZXHAIRMSA-N 0 0 327.468 5.418 10 30 EKEERN COC(=O)c1ccccc1/N=C\[C@@H]1CCC[C@@H]2CCCC(C)(C)[C@@H]12 ZINC000103823077 219324608 /nfs/dbraw/zinc/32/46/08/219324608.db2.gz SOVXORZTOMBPOG-DDTOKARBSA-N 0 0 327.468 5.418 10 30 EKEERN COC(=O)c1ccccc1/N=C\[C@@H]1CCC[C@H]2CCCC(C)(C)[C@@H]12 ZINC000103823084 219325049 /nfs/dbraw/zinc/32/50/49/219325049.db2.gz SOVXORZTOMBPOG-AEEIAHLFSA-N 0 0 327.468 5.418 10 30 EKEERN COC(=O)c1ccccc1/N=C\[C@H]1CCC[C@H]2[C@H]1CCCC2(C)C ZINC000103823093 219324619 /nfs/dbraw/zinc/32/46/19/219324619.db2.gz DMPINOODRVJTTC-DPCSYZTBSA-N 0 0 327.468 5.418 10 30 EKEERN COC(=O)c1ccccc1/N=C\[C@H]1CCC[C@H]2[C@@H]1CCCC2(C)C ZINC000103823101 204086858 /nfs/dbraw/zinc/08/68/58/204086858.db2.gz DMPINOODRVJTTC-KFPZVFEESA-N 0 0 327.468 5.418 10 30 EKEERN CCCCCCCCCCCCOC(=O)CCCCCC(C)C ZINC000103832404 219326440 /nfs/dbraw/zinc/32/64/40/219326440.db2.gz MZPMBVKTXQCSGB-UHFFFAOYSA-N 0 0 326.565 7.057 10 30 EKEERN CCCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl ZINC000103836839 219326235 /nfs/dbraw/zinc/32/62/35/219326235.db2.gz IVESCNMAOKRZNG-UHFFFAOYSA-N 0 0 345.738 6.211 10 30 EKEERN CCCCCCCCCCCCCC(=O)OCCCCCC(C)C ZINC000103839458 219326051 /nfs/dbraw/zinc/32/60/51/219326051.db2.gz HMRWHRBSEMHEFA-UHFFFAOYSA-N 0 0 340.592 7.447 10 30 EKEERN CCCCCCCCCCCCCCOC(=O)[C@@H](CC)CCCC ZINC000103839796 219326153 /nfs/dbraw/zinc/32/61/53/219326153.db2.gz YYVIVUWGOOIWIF-NRFANRHFSA-N 0 0 340.592 7.447 10 30 EKEERN CCCCCCCCCCCCCCOC(=O)[C@H](CC)CCCC ZINC000103839800 219325828 /nfs/dbraw/zinc/32/58/28/219325828.db2.gz YYVIVUWGOOIWIF-OAQYLSRUSA-N 0 0 340.592 7.447 10 30 EKEERN CCCCCC/C(C)=N/c1ccc(/N=C(/C)CCCCCC)cc1 ZINC000103842357 219326036 /nfs/dbraw/zinc/32/60/36/219326036.db2.gz JWJHHWVHDVQCJL-KDMDJZHMSA-N 0 0 328.544 7.812 10 30 EKEERN CCCCCC/C(C)=N/c1ccc(/N=C(\C)CCCCCC)cc1 ZINC000103842362 219325852 /nfs/dbraw/zinc/32/58/52/219325852.db2.gz JWJHHWVHDVQCJL-BLVCXSLXSA-N 0 0 328.544 7.812 10 30 EKEERN CCCCCC/C=C(/C=N\c1ccccc1C(=O)OC)CCCCC ZINC000103842813 219325845 /nfs/dbraw/zinc/32/58/45/219325845.db2.gz IAHAHMKOSPDZNQ-FDEBRDSSSA-N 0 0 343.511 6.653 10 30 EKEERN CCCCCC/C=C(\C=N/c1ccccc1C(=O)OC)CCCCC ZINC000103842815 219326589 /nfs/dbraw/zinc/32/65/89/219326589.db2.gz IAHAHMKOSPDZNQ-FGOHAZDUSA-N 0 0 343.511 6.653 10 30 EKEERN CCCCCC/C=C(/C=N/c1ccccc1C(=O)OC)CCCCC ZINC000103842821 219326239 /nfs/dbraw/zinc/32/62/39/219326239.db2.gz IAHAHMKOSPDZNQ-ABPKUWNSSA-N 0 0 343.511 6.653 10 30 EKEERN CC(C)(C)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(C)(C)C ZINC000103844020 219325900 /nfs/dbraw/zinc/32/59/00/219325900.db2.gz QZOAULPYCFQQLT-UHFFFAOYSA-N 0 0 330.259 5.551 10 30 EKEERN CCCCCCCCCCCC/C=C\CC/C=C\CCCCCO ZINC000103865865 219327710 /nfs/dbraw/zinc/32/77/10/219327710.db2.gz JTSPNZHBRRBWNU-ZHBRIHKXSA-N 0 0 336.604 7.743 10 30 EKEERN CCCCCCCCCCCC/C=C/CC/C=C\CCCCCO ZINC000103865868 204087592 /nfs/dbraw/zinc/08/75/92/204087592.db2.gz JTSPNZHBRRBWNU-ZOHXKJJCSA-N 0 0 336.604 7.743 10 30 EKEERN CCCCCCCCCCCC/C=C\CC/C=C/CCCCCO ZINC000103865873 219327737 /nfs/dbraw/zinc/32/77/37/219327737.db2.gz JTSPNZHBRRBWNU-DQRBBIAISA-N 0 0 336.604 7.743 10 30 EKEERN CCCCCCCNc1ccc(Br)cc1C(F)(F)F ZINC000103985101 206481162 /nfs/dbraw/zinc/48/11/62/206481162.db2.gz YNLNHEYMIXLVMD-UHFFFAOYSA-N 0 0 338.211 5.850 10 30 EKEERN CCCCCCCCNc1cccc(Br)c1COC ZINC000103994018 219337386 /nfs/dbraw/zinc/33/73/86/219337386.db2.gz RSKJOSZOIRFLOK-UHFFFAOYSA-N 0 0 328.294 5.368 10 30 EKEERN N#Cc1c(Cl)cccc1Nc1cc(Cl)c(Cl)cc1Cl ZINC000104004120 219338364 /nfs/dbraw/zinc/33/83/64/219338364.db2.gz BSQNCFUWHUUEGO-UHFFFAOYSA-N 0 0 332.017 5.915 10 30 EKEERN N#Cc1oc2c(cc(Br)cc2Cl)c1-c1ccccc1 ZINC000104004478 219337906 /nfs/dbraw/zinc/33/79/06/219337906.db2.gz QOXLCEGVORQTFO-UHFFFAOYSA-N 0 0 332.584 5.387 10 30 EKEERN C[C@H](Nc1ccc(Cl)cc1C#N)c1ccc(Br)cc1 ZINC000104015178 219339536 /nfs/dbraw/zinc/33/95/36/219339536.db2.gz FSUWFCPTAHLGBX-JTQLQIEISA-N 0 0 335.632 5.147 10 30 EKEERN C[C@@H](Nc1ccc(Cl)cc1C#N)c1ccc(Br)cc1 ZINC000104015182 219339266 /nfs/dbraw/zinc/33/92/66/219339266.db2.gz FSUWFCPTAHLGBX-SNVBAGLBSA-N 0 0 335.632 5.147 10 30 EKEERN O=C1CCCCC1=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000104097849 219347458 /nfs/dbraw/zinc/34/74/58/219347458.db2.gz OGVBXDNVGPIXMG-CMDGGOBGSA-N 0 0 337.263 5.163 10 30 EKEERN N#Cc1ccc(Oc2ccc(Br)cc2Cl)cc1Cl ZINC000104171363 219354598 /nfs/dbraw/zinc/35/45/98/219354598.db2.gz UNNIMKCYUIQESP-UHFFFAOYSA-N 0 0 343.007 5.420 10 30 EKEERN CCCCCCCC(=O)Nc1cc(Br)ccc1Cl ZINC000104171966 219354460 /nfs/dbraw/zinc/35/44/60/219354460.db2.gz YBENRGDZOXHXSY-UHFFFAOYSA-N 0 0 332.669 5.402 10 30 EKEERN N#Cc1cc(Cl)ccc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000104183840 219356939 /nfs/dbraw/zinc/35/69/39/219356939.db2.gz OLSJVLYSCSHDMM-UHFFFAOYSA-N 0 0 333.001 5.964 10 30 EKEERN N#Cc1ccc(Oc2ccc(Cl)cc2Br)c(Cl)c1 ZINC000104185816 219356774 /nfs/dbraw/zinc/35/67/74/219356774.db2.gz JFUCYSOTDBNDOX-UHFFFAOYSA-N 0 0 343.007 5.420 10 30 EKEERN COc1ccccc1NC=CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000104727908 524532713 /nfs/dbraw/zinc/53/27/13/524532713.db2.gz UQZYSMDKEHODRR-NXVVXOECSA-N 0 0 329.399 5.171 10 30 EKEERN CCCCCCCCc1cc(O)c(CCCCCCCC)cc1O ZINC000111393966 220150330 /nfs/dbraw/zinc/15/03/30/220150330.db2.gz QVLXDGDLLZYJAM-UHFFFAOYSA-N 0 0 334.544 6.904 10 30 EKEERN CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C ZINC000111395155 204356021 /nfs/dbraw/zinc/35/60/21/204356021.db2.gz CRYTZHPAQMYMOJ-UHFFFAOYSA-N 0 0 334.544 7.040 10 30 EKEERN CCCCCCCCCC[N+](C)([O-])CCCCCCCCCC ZINC000111400917 717148196 /nfs/dbraw/zinc/14/81/96/717148196.db2.gz GATZCJINVHTSTO-UHFFFAOYSA-N 0 0 327.597 7.212 10 30 EKEERN CCCCCCC(/C=N/c1ccccc1C(=O)OC)=C/c1ccccc1 ZINC000111408059 519949531 /nfs/dbraw/zinc/94/95/31/519949531.db2.gz XTFDJRLNMKZPCR-WGBRHLHASA-N 0 0 349.474 6.230 10 30 EKEERN CCCCCCCCCCCCCCCCCC(=O)NC[C@@H](C)O ZINC000111422786 220153505 /nfs/dbraw/zinc/15/35/05/220153505.db2.gz QCTVGFNUKWXQNN-HXUWFJFHSA-N 0 0 341.580 5.745 10 30 EKEERN CCCCCCCCCCCCCCCCCC(=O)NC[C@H](C)O ZINC000111422789 220153844 /nfs/dbraw/zinc/15/38/44/220153844.db2.gz QCTVGFNUKWXQNN-FQEVSTJZSA-N 0 0 341.580 5.745 10 30 EKEERN CCCCCCCCCCCC(=O)NCCCCCC[N+](C)(C)[O-] ZINC000111477823 717148661 /nfs/dbraw/zinc/14/86/61/717148661.db2.gz PAEUJOFAKVZAMS-UHFFFAOYSA-N 0 0 342.568 5.158 10 30 EKEERN CCCCCCCCCCCCCCCCCC(=O)OCC(N)=O ZINC000111864093 204377325 /nfs/dbraw/zinc/37/73/25/204377325.db2.gz XDJMWTMWHKGSEB-UHFFFAOYSA-N 0 0 341.536 5.276 10 30 EKEERN CCCCCCCCCCCCCCCC(=O)OCCCCC ZINC000111870134 201065952 /nfs/dbraw/zinc/06/59/52/201065952.db2.gz YGDMPMKCHSXJJF-UHFFFAOYSA-N 0 0 326.565 7.201 10 30 EKEERN CCCCCCCCCc1cccc(CCCCCCCCC)c1O ZINC000111878223 220215623 /nfs/dbraw/zinc/21/56/23/220215623.db2.gz CVIAERHUEXHJNW-UHFFFAOYSA-N 0 0 346.599 7.978 10 30 EKEERN CCCCCCCCCCCCCCCC(=O)OCCC(C)C ZINC000111893223 220217375 /nfs/dbraw/zinc/21/73/75/220217375.db2.gz NXBIDOXPIIWDMX-UHFFFAOYSA-N 0 0 326.565 7.057 10 30 EKEERN CCCCCCCc1ccc(C(=O)Oc2ccc(CCC)cc2)cc1 ZINC000111894345 563971743 /nfs/dbraw/zinc/97/17/43/563971743.db2.gz OUSRURSEKXEDCJ-UHFFFAOYSA-N 0 0 338.491 6.371 10 30 EKEERN CCCCCCCCCCCCCC[N+]([O-])(CCCC)CCCC ZINC000113072528 717149263 /nfs/dbraw/zinc/14/92/63/717149263.db2.gz OCKVXAVACGVODF-UHFFFAOYSA-N 0 0 341.624 7.602 10 30 EKEERN 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 ZINC000118912641 221202320 /nfs/dbraw/zinc/20/23/20/221202320.db2.gz DKVSCGXPVFHNKP-QUUFUPJISA-N 0 0 330.556 5.972 10 30 EKEERN 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 ZINC000118912642 221202154 /nfs/dbraw/zinc/20/21/54/221202154.db2.gz DKVSCGXPVFHNKP-QOFSIALJSA-N 0 0 330.556 5.972 10 30 EKEERN CCC1=C2CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000118912721 563992458 /nfs/dbraw/zinc/99/24/58/563992458.db2.gz OVEPXIPPAPYZOU-UCLRZGAKSA-N 0 0 330.512 5.050 10 30 EKEERN C=CCOC[C@H](CCCCCCCCCCCCCC)OCC=C ZINC000137598616 564130119 /nfs/dbraw/zinc/13/01/19/564130119.db2.gz WZGLACYOASIOKF-QFIPXVFZSA-N 0 0 338.576 6.851 10 30 EKEERN C=CCOC[C@@H](CCCCCCCCCCCCCC)OCC=C ZINC000137598696 564130133 /nfs/dbraw/zinc/13/01/33/564130133.db2.gz WZGLACYOASIOKF-JOCHJYFZSA-N 0 0 338.576 6.851 10 30 EKEERN C[C@@H]1CCc2c(C#N)c3nc4ccccc4n3c(-c3ccccc3)c2C1 ZINC000170622690 564110359 /nfs/dbraw/zinc/11/03/59/564110359.db2.gz MMEMHGPKYLNSHH-OAHLLOKOSA-N 0 0 337.426 5.151 10 30 EKEERN C[C@H]1CCc2c(C#N)c3nc4ccccc4n3c(-c3ccccc3)c2C1 ZINC000170622691 564110349 /nfs/dbraw/zinc/11/03/49/564110349.db2.gz MMEMHGPKYLNSHH-HNNXBMFYSA-N 0 0 337.426 5.151 10 30 EKEERN N#Cc1c2c(c(-c3ccccc3)nc1OCc1ccccc1)CCCC2 ZINC000170622711 564110373 /nfs/dbraw/zinc/11/03/73/564110373.db2.gz RZRKYTLZTYBOLV-UHFFFAOYSA-N 0 0 340.426 5.078 10 30 EKEERN CC(C)[Si](C(C)C)(C(C)C)n1ccc2c1ncc(N=[N+]=[N-])c2Cl ZINC000196984524 535311455 /nfs/dbraw/zinc/31/14/55/535311455.db2.gz WSWULHLYBYKHIY-UHFFFAOYSA-N 0 0 349.942 6.655 10 30 EKEERN CC(C)[Si](C(C)C)(C(C)C)n1ccc2c1ncc(N=[N+]=[N-])c2F ZINC000196984548 535311862 /nfs/dbraw/zinc/31/18/62/535311862.db2.gz VCUJOAIKNLMHGS-UHFFFAOYSA-N 0 0 333.487 6.141 10 30 EKEERN C#Cc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000216708180 563986337 /nfs/dbraw/zinc/98/63/37/563986337.db2.gz CRMDIURFHUSMAM-UHFFFAOYSA-N 0 0 339.394 5.029 10 30 EKEERN C=CCOC(=O)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 ZINC000226244435 257844042 /nfs/dbraw/zinc/84/40/42/257844042.db2.gz YTBDLJIAWYPKQM-UHFFFAOYSA-N 0 0 331.582 5.250 10 30 EKEERN N#Cc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1 ZINC000226302748 242095737 /nfs/dbraw/zinc/09/57/37/242095737.db2.gz VTEZNSDIZHAJRT-UHFFFAOYSA-N 0 0 348.402 5.194 10 30 EKEERN CC(C)N=Nc1nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2s1 ZINC000226302974 535371836 /nfs/dbraw/zinc/37/18/36/535371836.db2.gz RSTQYTJKWFBLOZ-UHFFFAOYSA-N 0 0 339.508 5.572 10 30 EKEERN N#Cc1cn(C(=O)c2cccc3c(Cl)cccc23)c2ccccc12 ZINC000226361501 242102195 /nfs/dbraw/zinc/10/21/95/242102195.db2.gz WBBIJRNNFOUCAF-UHFFFAOYSA-N 0 0 330.774 5.008 10 30 EKEERN N#Cc1cn(C(=O)c2sc3ccccc3c2Cl)c2ccccc12 ZINC000226361737 242100870 /nfs/dbraw/zinc/10/08/70/242100870.db2.gz LWHFEXMULIZFAO-UHFFFAOYSA-N 0 0 336.803 5.070 10 30 EKEERN N#Cc1cn(C(=O)c2ccc(-c3ccccc3Cl)o2)c2ccccc12 ZINC000226361752 242101078 /nfs/dbraw/zinc/10/10/78/242101078.db2.gz OUONYIQOKXGEOA-UHFFFAOYSA-N 0 0 346.773 5.115 10 30 EKEERN N#Cc1cn(C(=O)c2ccc(-c3cccc(Cl)c3)o2)c2ccccc12 ZINC000226361769 242101267 /nfs/dbraw/zinc/10/12/67/242101267.db2.gz QOVJTPYRENTSGD-UHFFFAOYSA-N 0 0 346.773 5.115 10 30 EKEERN N#Cc1cn(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c2ccccc12 ZINC000226361773 242102417 /nfs/dbraw/zinc/10/24/17/242102417.db2.gz QVMKUQHPQWYBFW-UHFFFAOYSA-N 0 0 346.773 5.115 10 30 EKEERN N#Cc1cn(C(=O)/C=C/c2cccc(Cl)c2Cl)c2ccccc12 ZINC000226362299 242100921 /nfs/dbraw/zinc/10/09/21/242100921.db2.gz SQFQUKPENIJFQW-CMDGGOBGSA-N 0 0 341.197 5.173 10 30 EKEERN N#Cc1cn(C(=O)/C=C/c2ccc(Cl)cc2Cl)c2ccccc12 ZINC000226362306 242102117 /nfs/dbraw/zinc/10/21/17/242102117.db2.gz HHVDEVVYXCZPEB-SOFGYWHQSA-N 0 0 341.197 5.173 10 30 EKEERN N#Cc1cn(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000226362312 242101108 /nfs/dbraw/zinc/10/11/08/242101108.db2.gz GUQRIVNLEILTOH-SOFGYWHQSA-N 0 0 341.197 5.173 10 30 EKEERN CC1C/C(=C\C=C\c2ccccc2)C(=O)/C(=C\C=C\c2ccccc2)C1 ZINC000226869981 242118100 /nfs/dbraw/zinc/11/81/00/242118100.db2.gz ODJVUQDVQMIDCB-ZCUAMNITSA-N 0 0 340.466 6.265 10 30 EKEERN Fc1ccc(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000227149533 242121510 /nfs/dbraw/zinc/12/15/10/242121510.db2.gz XMOXRAKDYLSCHP-UFFVCSGVSA-N 0 0 334.177 6.143 10 30 EKEERN CCCCCCCCCCCCCCCCCC[C@@H](O)COCC ZINC000242543368 564131873 /nfs/dbraw/zinc/13/18/73/564131873.db2.gz JYOJLZQLPJMJPU-JOCHJYFZSA-N 0 0 342.608 7.035 10 30 EKEERN CCCCCCCCCCCCCCCCCC[C@H](O)COCC ZINC000242543369 564131888 /nfs/dbraw/zinc/13/18/88/564131888.db2.gz JYOJLZQLPJMJPU-QFIPXVFZSA-N 0 0 342.608 7.035 10 30 EKEERN Fc1ccc(-c2csc(N=NCc3ccc(Cl)cc3)n2)cc1 ZINC000252515153 564120268 /nfs/dbraw/zinc/12/02/68/564120268.db2.gz HQMQRYDTESVACP-UHFFFAOYSA-N 0 0 331.803 5.049 10 30 EKEERN O=C(/C=C/c1ccc(Cl)cc1)c1ccc(N=Cc2ccccc2)cc1 ZINC000252623621 564122994 /nfs/dbraw/zinc/12/29/94/564122994.db2.gz OVMPFSNUAOZFLY-BZULZASTSA-N 0 0 345.829 5.987 10 30 EKEERN O=C(/C=C\c1ccc(Cl)cc1)c1ccc(N=Cc2ccccc2)cc1 ZINC000252623622 564122973 /nfs/dbraw/zinc/12/29/73/564122973.db2.gz OVMPFSNUAOZFLY-VUEOATCUSA-N 0 0 345.829 5.987 10 30 EKEERN CC(N=Nc1nc(C(C)(C)C)cs1)c1cc2cc(Cl)ccc2o1 ZINC000254350493 564132232 /nfs/dbraw/zinc/13/22/32/564132232.db2.gz KYUMZAHPLJVDNT-UHFFFAOYSA-N 0 0 347.871 5.676 10 30 EKEERN ClC(=NN=C(Cl)c1ccccc1Cl)c1ccccc1Cl ZINC000255004202 526923572 /nfs/dbraw/zinc/92/35/72/526923572.db2.gz STSYYFNBAHTXBF-UHFFFAOYSA-N 0 0 346.044 5.579 10 30 EKEERN C=C1C[C@H](O)[C@H](/C=C\[C@H](O)C(C)(C)CCCC)[C@@H]1C/C=C\CCCC ZINC000306146192 257900166 /nfs/dbraw/zinc/90/01/66/257900166.db2.gz CFUVAQQKCIEUJI-OUOCDDJDSA-N 0 0 348.571 5.810 10 30 EKEERN C=C1C[C@H](O)[C@H](/C=C\[C@H](O)C(C)(C)CCCC)[C@@H]1C/C=C/CCCC ZINC000306146193 257899844 /nfs/dbraw/zinc/89/98/44/257899844.db2.gz CFUVAQQKCIEUJI-VMPTUWTASA-N 0 0 348.571 5.810 10 30 EKEERN C=C1C[C@H](O)[C@H](/C=C/[C@H](O)C(C)(C)CCCC)[C@@H]1C/C=C/CCCC ZINC000306146194 257899896 /nfs/dbraw/zinc/89/98/96/257899896.db2.gz CFUVAQQKCIEUJI-XFSAZOTJSA-N 0 0 348.571 5.810 10 30 EKEERN C=CCCCCCC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960502 564177135 /nfs/dbraw/zinc/17/71/35/564177135.db2.gz NLCVWJIZJLAAEP-UHFFFAOYSA-N 0 0 345.483 5.129 10 30 EKEERN CCCCCCCC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960673 564177163 /nfs/dbraw/zinc/17/71/63/564177163.db2.gz YCBAEHXKARRNGH-UHFFFAOYSA-N 0 0 347.499 5.353 10 30 EKEERN