smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)N1CCC2(CCSCC2)CC1 ZINC000212476611 1125478345 /nfs/dbraw/zinc/47/83/45/1125478345.db2.gz WBMPMFJKSAWSEW-UHFFFAOYSA-N 0 0 271.426 3.531 50 0 CHAARN Cc1nc(Cl)sc1C(=O)Nc1ccc(C)cc1C ZINC000000385223 1119159583 /nfs/dbraw/zinc/15/95/83/1119159583.db2.gz CLHNRQXLEZLCLM-UHFFFAOYSA-N 0 0 280.780 3.974 50 0 CHAARN COc1ccc(-c2cc(C)nc(C(C)C)n2)cc1F ZINC000426504643 1122809184 /nfs/dbraw/zinc/80/91/84/1122809184.db2.gz TZRWSOXLVRYUES-UHFFFAOYSA-N 0 0 260.312 3.723 50 0 CHAARN Cc1ccc(OCCCC(=O)NC2CCCCCC2)cc1 ZINC000014400285 1125519525 /nfs/dbraw/zinc/51/95/25/1125519525.db2.gz SHYWUYQDSSWPPU-UHFFFAOYSA-N 0 0 289.419 3.993 50 0 CHAARN C[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1cccc(F)c1 ZINC000003231489 1125680431 /nfs/dbraw/zinc/68/04/31/1125680431.db2.gz QLTWBFHDVRDEQM-WTNCMQEWSA-N 0 0 281.330 3.817 50 0 CHAARN Cc1noc(C)c1COC(=O)/C=C/c1ccc(Cl)cc1 ZINC000003294292 1125683355 /nfs/dbraw/zinc/68/33/55/1125683355.db2.gz KMBSESXUBHGHQO-VMPITWQZSA-N 0 0 291.734 3.701 50 0 CHAARN Cc1ccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)o1 ZINC000003351192 1125686580 /nfs/dbraw/zinc/68/65/80/1125686580.db2.gz OMOOTJDQQITCPJ-MDZDMXLPSA-N 0 0 293.366 3.917 50 0 CHAARN O=Cc1cc(Br)ccc1OCCC(F)(F)F ZINC000070206473 1125686888 /nfs/dbraw/zinc/68/68/88/1125686888.db2.gz SLXZZHRGUXPUEG-UHFFFAOYSA-N 0 0 297.070 3.593 50 0 CHAARN CC(C)c1ccc(/C=C\C(=O)NCC(F)(F)F)cc1 ZINC000221972306 1125762848 /nfs/dbraw/zinc/76/28/48/1125762848.db2.gz PLVWVUYDJDAWJX-YVMONPNESA-N 0 0 271.282 3.502 50 0 CHAARN O=C(NC1CCCCCC1)c1ccc(-c2cccnc2)nc1 ZINC000065173719 1126736398 /nfs/dbraw/zinc/73/63/98/1126736398.db2.gz VSKVNEQBSFHATM-UHFFFAOYSA-N 0 0 295.386 3.596 50 0 CHAARN Cc1cccc(-c2nnc(C)c(N3CCCC[C@H]3C)n2)c1 ZINC000065195838 1126740520 /nfs/dbraw/zinc/74/05/20/1126740520.db2.gz ALYOAOCFRBTJDC-CYBMUJFWSA-N 0 0 282.391 3.534 50 0 CHAARN Cc1cccc(C)c1NC(=O)NN1[C@H](C)CCC[C@@H]1C ZINC000013118720 1126750619 /nfs/dbraw/zinc/75/06/19/1126750619.db2.gz QXZHPVDFXIXSCL-OKILXGFUSA-N 0 0 275.396 3.603 50 0 CHAARN Cc1nc(/C=C\C(=O)N2CCC[C@@H]2c2ccccc2)cs1 ZINC000103370933 1126759916 /nfs/dbraw/zinc/75/99/16/1126759916.db2.gz CCSWMVAXTQFVTO-ZBTGYSDGSA-N 0 0 298.411 3.828 50 0 CHAARN Cc1ccc(CN(C)Cc2noc3c2CCCC3)s1 ZINC000108859364 1126894209 /nfs/dbraw/zinc/89/42/09/1126894209.db2.gz HPRXLCWXDQHXOP-UHFFFAOYSA-N 0 0 276.405 3.555 50 0 CHAARN O=C(Nc1cccc(F)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000057573820 1127266284 /nfs/dbraw/zinc/26/62/84/1127266284.db2.gz JBZIFZLCPWPYCH-UHFFFAOYSA-N 0 0 288.366 3.916 50 0 CHAARN O=C(NCc1ccc(F)c(Cl)c1)c1cc(F)ccc1F ZINC000060353492 1127518534 /nfs/dbraw/zinc/51/85/34/1127518534.db2.gz DMOPMAJFNFHRKU-UHFFFAOYSA-N 0 0 299.679 3.687 50 0 CHAARN Fc1cccc2[nH]c(C(Cl)=Cc3cccnc3)nc21 ZINC000076762225 1127549303 /nfs/dbraw/zinc/54/93/03/1127549303.db2.gz NOGRURIHNISXJU-YFHOEESVSA-N 0 0 273.698 3.834 50 0 CHAARN C/C=C(/CC)C(=O)Nc1ccc2nc(N(C)C)ccc2c1 ZINC000170608208 1127626758 /nfs/dbraw/zinc/62/67/58/1127626758.db2.gz GLCKBPDUYVUUFQ-XGICHPGQSA-N 0 0 283.375 3.596 50 0 CHAARN CCc1ccc(/C=C/C(=O)N2CCc3sccc3C2)cc1 ZINC000010923733 1127765104 /nfs/dbraw/zinc/76/51/04/1127765104.db2.gz PRTFIKJZWUGVTA-BQYQJAHWSA-N 0 0 297.423 3.909 50 0 CHAARN Clc1cnccc1NCc1ccc(Cn2ccnc2)cc1 ZINC000089787919 1127919464 /nfs/dbraw/zinc/91/94/64/1127919464.db2.gz YPPOQOPFVPYQRV-UHFFFAOYSA-N 0 0 298.777 3.592 50 0 CHAARN Fc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000254295811 1127924781 /nfs/dbraw/zinc/92/47/81/1127924781.db2.gz FIQZKWPZUNMPKC-UHFFFAOYSA-N 0 0 283.228 3.686 50 0 CHAARN COc1ccc(CNc2cccc3cccnc32)cc1F ZINC000032565243 1127986673 /nfs/dbraw/zinc/98/66/73/1127986673.db2.gz RZYOKVQFFRZIEC-UHFFFAOYSA-N 0 0 282.318 3.995 50 0 CHAARN OCc1cc(-c2ccccc2OCc2ccccc2)ccn1 ZINC000032593070 1128024567 /nfs/dbraw/zinc/02/45/67/1128024567.db2.gz BWQFUMWHAXRJOG-UHFFFAOYSA-N 0 0 291.350 3.820 50 0 CHAARN FC(F)(F)c1cccc(-c2noc([C@H]3CCCCO3)n2)c1 ZINC000151650077 1128070824 /nfs/dbraw/zinc/07/08/24/1128070824.db2.gz LZCHMSVFOAMLLS-LLVKDONJSA-N 0 0 298.264 3.997 50 0 CHAARN Cc1[nH]nc(-c2cncc(C(F)F)c2)c1C(F)(F)F ZINC000871011047 1128078482 /nfs/dbraw/zinc/07/84/82/1128078482.db2.gz NIOZRFDNTCEXJU-UHFFFAOYSA-N 0 0 277.196 3.737 50 0 CHAARN Cc1ccc([C@H](C)NCc2nnc(-c3ccccc3)s2)o1 ZINC000090400938 1128089536 /nfs/dbraw/zinc/08/95/36/1128089536.db2.gz VKFFVQLJGCUSGU-LBPRGKRZSA-N 0 0 299.399 3.957 50 0 CHAARN Cc1cc(=O)[nH]c(Nc2ccc(Nc3ccccc3)cc2)n1 ZINC000000935705 1128102511 /nfs/dbraw/zinc/10/25/11/1128102511.db2.gz MABCDXAXWQHDRY-UHFFFAOYSA-N 0 0 292.342 3.566 50 0 CHAARN CCN(CC)c1cccc(OC(=O)/C=C\c2ccco2)c1 ZINC000034799492 1128235514 /nfs/dbraw/zinc/23/55/14/1128235514.db2.gz GBFNYGOPPQPYCE-KHPPLWFESA-N 0 0 285.343 3.745 50 0 CHAARN CN(Cc1c(F)cccc1Cl)C(=O)/C=C/c1ccco1 ZINC000032964209 1128437294 /nfs/dbraw/zinc/43/72/94/1128437294.db2.gz ZSBYJARGGKDIET-BQYQJAHWSA-N 0 0 293.725 3.744 50 0 CHAARN Cc1nc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cs1 ZINC000033034253 1128455031 /nfs/dbraw/zinc/45/50/31/1128455031.db2.gz MZINNSNRVRWUPY-VZUCSPMQSA-N 0 0 276.748 3.598 50 0 CHAARN CC1CCN(C(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000033304853 1128496616 /nfs/dbraw/zinc/49/66/16/1128496616.db2.gz ZVCHMBHRBYHDPJ-DAXSKMNVSA-N 0 0 263.768 3.612 50 0 CHAARN CCOc1ccccc1NC(=O)/C=C\c1ccccc1OC ZINC000033827906 1128627623 /nfs/dbraw/zinc/62/76/23/1128627623.db2.gz LWPHNGSXAXAURT-SEYXRHQNSA-N 0 0 297.354 3.746 50 0 CHAARN C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)NCc2cccs2)o1 ZINC000048557513 1128716964 /nfs/dbraw/zinc/71/69/64/1128716964.db2.gz QBMHUNCNDLRRIP-OKTYWVLSSA-N 0 0 287.384 3.794 50 0 CHAARN CC(C)Cc1nnc2sc(/C=C/c3ccccc3)nn12 ZINC000011278870 1117936275 /nfs/dbraw/zinc/93/62/75/1117936275.db2.gz FQBIUGQIRHUVKL-CMDGGOBGSA-N 0 0 284.388 3.555 50 0 CHAARN CC(=O)Nc1cccc(NC(=O)c2sccc2C)c1C ZINC000032753693 1117979658 /nfs/dbraw/zinc/97/96/58/1117979658.db2.gz OYIMRIKAYKMRHM-UHFFFAOYSA-N 0 0 288.372 3.576 50 0 CHAARN COc1cc2nccc(Oc3ccc(O)cc3)c2cc1OC ZINC000013859453 1117980136 /nfs/dbraw/zinc/98/01/36/1117980136.db2.gz QVVCSEHIAWISPY-UHFFFAOYSA-N 0 0 297.310 3.750 50 0 CHAARN Cc1c(C(=O)N2CCCCCC2)cnn1-c1ccc(C)cc1 ZINC000024834880 1118093659 /nfs/dbraw/zinc/09/36/59/1118093659.db2.gz JCUIBBVTVVDPOV-UHFFFAOYSA-N 0 0 297.402 3.505 50 0 CHAARN Cc1cnccc1-c1nc(CC2(C)CCCC2)no1 ZINC000289118465 1118249570 /nfs/dbraw/zinc/24/95/70/1118249570.db2.gz MCKNXINURPTRIT-UHFFFAOYSA-N 0 0 257.337 3.563 50 0 CHAARN COc1ccc2c(c1)nccc2OCc1ncc(C)s1 ZINC000179910842 1128766050 /nfs/dbraw/zinc/76/60/50/1128766050.db2.gz GSIXDCNKTYGJOM-UHFFFAOYSA-N 0 0 286.356 3.587 50 0 CHAARN Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1C ZINC000000029948 1118276938 /nfs/dbraw/zinc/27/69/38/1118276938.db2.gz YTQFPSJHEQWCIE-UHFFFAOYSA-N 0 0 253.345 3.576 50 0 CHAARN CC[C@@H](C(=O)Nc1cc(F)ccc1O)c1ccccc1 ZINC000072313294 1118387432 /nfs/dbraw/zinc/38/74/32/1118387432.db2.gz FTIJXUJBKMKVPO-CYBMUJFWSA-N 0 0 273.307 3.664 50 0 CHAARN COc1ccc(OCCCCSC(C)C)cc1 ZINC000002497096 1118573741 /nfs/dbraw/zinc/57/37/41/1118573741.db2.gz GDAJQBJYCQSVGN-UHFFFAOYSA-N 0 0 254.395 3.996 50 0 CHAARN CCS[C@H]1CCC[C@@H]1NC(=O)c1cc(C)sc1C ZINC000079000859 1118620027 /nfs/dbraw/zinc/62/00/27/1118620027.db2.gz LKSBRFJGGKGOAY-STQMWFEESA-N 0 0 283.462 3.769 50 0 CHAARN CC[C@@H]1CC(=O)c2ccccc2N1C(=O)OC(C)(C)C ZINC000238299730 1128798832 /nfs/dbraw/zinc/79/88/32/1128798832.db2.gz DIJCRCUSKIIGOD-LLVKDONJSA-N 0 0 275.348 3.793 50 0 CHAARN O=C(OCC(F)(F)C(F)F)c1ccc2ccccc2c1 ZINC000002678974 1118903283 /nfs/dbraw/zinc/90/32/83/1118903283.db2.gz ZFLHLFQVMIDBLW-UHFFFAOYSA-N 0 0 286.224 3.897 50 0 CHAARN c1cc([C@@H]2CCOC2)ccc1OCc1noc2c1CCCC2 ZINC000190281866 1128809958 /nfs/dbraw/zinc/80/99/58/1128809958.db2.gz AORVYMMKCNYKDP-CQSZACIVSA-N 0 0 299.370 3.636 50 0 CHAARN CC(C)OP(=O)(OC(C)C)C(=O)c1ccccc1 ZINC000002831382 1119054310 /nfs/dbraw/zinc/05/43/10/1119054310.db2.gz IAKYKAIUWGTBRK-UHFFFAOYSA-N 0 0 270.265 3.870 50 0 CHAARN O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc2c(c1)OCO2 ZINC000000213467 1119096904 /nfs/dbraw/zinc/09/69/04/1119096904.db2.gz QPTVSGGRHYXBBM-XGICHPGQSA-N 0 0 299.713 3.561 50 0 CHAARN COc1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1OC ZINC000000364163 1119150019 /nfs/dbraw/zinc/15/00/19/1119150019.db2.gz XIFHDLPHWZKZLG-UHFFFAOYSA-N 0 0 299.370 3.881 50 0 CHAARN CC(C)Cc1ccc([C@H](C)C(=O)NCc2ccccn2)cc1 ZINC000000364121 1119150764 /nfs/dbraw/zinc/15/07/64/1119150764.db2.gz IHPXUZJRQMSYFP-HNNXBMFYSA-N 0 0 296.414 3.700 50 0 CHAARN Cc1cc(-n2ccnc2)ccc1CSC1=NCCS1 ZINC000194518218 1119228492 /nfs/dbraw/zinc/22/84/92/1119228492.db2.gz SPZHUAGASKRDSY-UHFFFAOYSA-N 0 0 289.429 3.517 50 0 CHAARN CC(C)N(C(=O)[C@H]1CCCc2c(O)cccc21)C1CCC1 ZINC000190481130 1128849554 /nfs/dbraw/zinc/84/95/54/1128849554.db2.gz RYHWLBKBBFGMJS-INIZCTEOSA-N 0 0 287.403 3.602 50 0 CHAARN CN(C)C(=O)c1ccc(Cl)cc1NCCCCCF ZINC000252487242 1119531637 /nfs/dbraw/zinc/53/16/37/1119531637.db2.gz HTMQKGQNNRKBLZ-UHFFFAOYSA-N 0 0 286.778 3.594 50 0 CHAARN COc1ccc(OC(=O)c2cccc(Cl)c2)cc1 ZINC000000859285 1119661134 /nfs/dbraw/zinc/66/11/34/1119661134.db2.gz HSXSDVZNZAPASK-UHFFFAOYSA-N 0 0 262.692 3.568 50 0 CHAARN O=C(c1cccc(F)c1)N1CC[C@H](c2cccs2)C1 ZINC000826607658 1119722926 /nfs/dbraw/zinc/72/29/26/1119722926.db2.gz HRTSDSRAYLVESE-LBPRGKRZSA-N 0 0 275.348 3.517 50 0 CHAARN COc1cc(CN=Nc2ccccn2)ccc1OCC(C)C ZINC000013135843 1119774862 /nfs/dbraw/zinc/77/48/62/1119774862.db2.gz IGEFMKNAQJPRFA-UHFFFAOYSA-N 0 0 299.374 3.571 50 0 CHAARN COc1ccc(C)cc1NC(=O)c1cc2c(s1)CCC2 ZINC000003256755 1119775750 /nfs/dbraw/zinc/77/57/50/1119775750.db2.gz HMVYQZGBIRVSTE-UHFFFAOYSA-N 0 0 287.384 3.806 50 0 CHAARN Cc1nc([C@@H]2CCCO2)sc1C(=O)Nc1ccccc1 ZINC000136484853 1119775809 /nfs/dbraw/zinc/77/58/09/1119775809.db2.gz SLPCEAZJCUBZFY-LBPRGKRZSA-N 0 0 288.372 3.555 50 0 CHAARN CC(=O)c1ccccc1NC(=O)C=Cc1cccc(F)c1 ZINC000097676132 1119813143 /nfs/dbraw/zinc/81/31/43/1119813143.db2.gz XUVQHJHQUJSQJE-KTKRTIGZSA-N 0 0 283.302 3.680 50 0 CHAARN Cc1cc(C(=O)Nc2ccccc2OCC2CC2)co1 ZINC000187250872 1120015232 /nfs/dbraw/zinc/01/52/32/1120015232.db2.gz RRFWLPRFOZHRIY-UHFFFAOYSA-N 0 0 271.316 3.629 50 0 CHAARN CCCn1cc(N[C@H](C)c2nnc(-c3ccccc3)o2)cn1 ZINC000186324771 1120025762 /nfs/dbraw/zinc/02/57/62/1120025762.db2.gz AAPOABSFFDPGTO-GFCCVEGCSA-N 0 0 297.362 3.516 50 0 CHAARN CO[C@@H](CNC(=O)[C@@H]1CC=CCC1)c1cc2ccccc2o1 ZINC000253473326 1120114945 /nfs/dbraw/zinc/11/49/45/1120114945.db2.gz UFFFTADAQLZPSC-DYVFJYSZSA-N 0 0 299.370 3.593 50 0 CHAARN CCCSc1nnc(-c2c[nH]c3ccccc23)n1CC ZINC000018102178 1120169848 /nfs/dbraw/zinc/16/98/48/1120169848.db2.gz QDTPGVCDBBNWRG-UHFFFAOYSA-N 0 0 286.404 3.948 50 0 CHAARN Cc1ccccc1CNC(=O)c1ccc2ncsc2c1 ZINC000018106608 1120170870 /nfs/dbraw/zinc/17/08/70/1120170870.db2.gz HMXSHZUXGAALJP-UHFFFAOYSA-N 0 0 282.368 3.535 50 0 CHAARN Cc1oc(-c2ccccc2)nc1C(=O)N(C)C1CCCC1 ZINC000012851110 1120204091 /nfs/dbraw/zinc/20/40/91/1120204091.db2.gz VATGDXWGRPSAGN-UHFFFAOYSA-N 0 0 284.359 3.665 50 0 CHAARN O=C(CC1(n2cccc2)CCCCC1)Nc1ccc(O)cc1 ZINC000253403511 1120267568 /nfs/dbraw/zinc/26/75/68/1120267568.db2.gz HFKKSINZJNPUMS-UHFFFAOYSA-N 0 0 298.386 3.882 50 0 CHAARN C[C@H](NC(=O)NCc1ccccc1)c1cccc(Cl)c1 ZINC000017115553 1120398066 /nfs/dbraw/zinc/39/80/66/1120398066.db2.gz LJGLYHCKJRRUOH-LBPRGKRZSA-N 0 0 288.778 3.900 50 0 CHAARN Cc1ccc2[nH]cc(CCNC(=O)c3ccccc3C)c2c1 ZINC000002441751 1120487391 /nfs/dbraw/zinc/48/73/91/1120487391.db2.gz CWNFPSAHCRTAKO-UHFFFAOYSA-N 0 0 292.382 3.757 50 0 CHAARN C[C@H]1CN(Cc2cccc(F)c2)Cc2ccccc2O1 ZINC000012163297 1120487661 /nfs/dbraw/zinc/48/76/61/1120487661.db2.gz WJGHLLSXXZRHAB-ZDUSSCGKSA-N 0 0 271.335 3.609 50 0 CHAARN COc1ccccc1[C@H](C)Nc1nccc(C(F)(F)F)n1 ZINC000298147602 1120551069 /nfs/dbraw/zinc/55/10/69/1120551069.db2.gz DFPDKCLCRKEGAE-VIFPVBQESA-N 0 0 297.280 3.677 50 0 CHAARN COc1ccccc1[C@@H](C)Nc1nccc(C(F)(F)F)n1 ZINC000298147596 1120551442 /nfs/dbraw/zinc/55/14/42/1120551442.db2.gz DFPDKCLCRKEGAE-SECBINFHSA-N 0 0 297.280 3.677 50 0 CHAARN O=C(Cc1cccs1)N1CCC[C@H]1c1ccsc1 ZINC000046911583 1120569125 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/nfs/dbraw/zinc/95/52/52/566955252.db2.gz PDRGHUMCVRDZLQ-WMZOPIPTSA-N 0 0 266.340 3.944 50 0 in-vivo CHAARN Cc1ccc(C)c(NC(=O)CCc2ccc3[nH]cnc3c2)c1 ZINC000075478830 566957610 /nfs/dbraw/zinc/95/76/10/566957610.db2.gz YRRAGBWFGZZABQ-UHFFFAOYSA-N 0 0 293.370 3.751 50 0 CHAARN O=C(Nc1nc2ccccc2s1)c1ccc(Cl)o1 ZINC000013012014 566958519 /nfs/dbraw/zinc/95/85/19/566958519.db2.gz QLLXCHZQNQIHOD-UHFFFAOYSA-N 0 0 278.720 3.795 50 0 CHAARN O=C(Nc1ccccc1)C1(c2cccc(F)c2)CCC1 ZINC000013007747 566959079 /nfs/dbraw/zinc/95/90/79/566959079.db2.gz CINWHBPCZYUVAA-UHFFFAOYSA-N 0 0 269.319 3.886 50 0 CHAARN CC(C)c1nc2cc(CCC(=O)NC3CCCC3)ccc2[nH]1 ZINC000075478727 566959084 /nfs/dbraw/zinc/95/90/84/566959084.db2.gz JNZUXOHTDJOVPY-UHFFFAOYSA-N 0 0 299.418 3.678 50 0 CHAARN Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2CCCC(=O)[O-])cc1 ZINC000151157699 566960905 /nfs/dbraw/zinc/96/09/05/566960905.db2.gz FGGNKJCLSLMTSC-WMLDXEAASA-N 0 0 275.392 3.633 50 0 CHAARN Cc1ccc(O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000013023733 566961022 /nfs/dbraw/zinc/96/10/22/566961022.db2.gz PWQDMRIBILHQAA-LSDHHAIUSA-N 0 0 295.382 3.740 50 0 CHAARN Cc1cnc(CN2CCC[C@H](c3cc(F)ccc3F)C2)o1 ZINC000191675719 566962547 /nfs/dbraw/zinc/96/25/47/566962547.db2.gz GXJNGRAOTZTLJJ-LBPRGKRZSA-N 0 0 292.329 3.641 50 0 CHAARN O=C(NCc1ccncc1)Nc1ccc(Cl)c(Cl)c1 ZINC000000398185 566964703 /nfs/dbraw/zinc/96/47/03/566964703.db2.gz FUIZSVWEHSCHTN-UHFFFAOYSA-N 0 0 296.157 3.710 50 0 CHAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)C(=O)[C@H]2C1 ZINC000248328210 566971258 /nfs/dbraw/zinc/97/12/58/566971258.db2.gz BEAVIIGYZJAHFG-WQVCFCJDSA-N 0 0 299.414 3.910 50 0 CHAARN Cc1cc(=O)oc2c(C)c(OCc3ccccc3)ccc12 ZINC000000449337 566974988 /nfs/dbraw/zinc/97/49/88/566974988.db2.gz NGQVKOSUZVAPAV-UHFFFAOYSA-N 0 0 280.323 3.989 50 0 biogenic CHAARN CC(=NNc1ccccc1)C(=NO)Nc1ccccc1C ZINC000252589189 566975371 /nfs/dbraw/zinc/97/53/71/566975371.db2.gz AIFJBCWALUNGRJ-UHFFFAOYSA-N 0 0 282.347 3.683 50 0 CHAARN O=C(C1CCCC1)N1CCS[C@H]1c1ccccc1F ZINC000035816031 566976644 /nfs/dbraw/zinc/97/66/44/566976644.db2.gz SUKQPFGIKYPKSK-HNNXBMFYSA-N 0 0 279.380 3.590 50 0 CHAARN CCCCCOc1ccc(OC(=O)c2ccncc2)cc1 ZINC000002027794 566982361 /nfs/dbraw/zinc/98/23/61/566982361.db2.gz HQBSNIDDYLTICY-UHFFFAOYSA-N 0 0 285.343 3.870 50 0 CHAARN Cc1cccc([C@H]2CCCN2C(=O)NCCC(C)C)c1 ZINC000064579997 566982394 /nfs/dbraw/zinc/98/23/94/566982394.db2.gz BBAGIRRTZWYPSZ-MRXNPFEDSA-N 0 0 274.408 3.888 50 0 CHAARN CN1CCCc2cc(C(=O)NC3CCCCCC3)sc21 ZINC000064542952 566982567 /nfs/dbraw/zinc/98/25/67/566982567.db2.gz CQMUYXDEPBAJME-UHFFFAOYSA-N 0 0 292.448 3.583 50 0 CHAARN CCC[C@@H]1[C@H](C)CCCN1c1nccc(C(F)(F)F)n1 ZINC000079017587 566982622 /nfs/dbraw/zinc/98/26/22/566982622.db2.gz RPOAMHDOVJOVHP-GHMZBOCLSA-N 0 0 287.329 3.900 50 0 CHAARN COc1cc(SC)ccc1NC(=O)[C@H]1CC=CCC1 ZINC000192712925 566983890 /nfs/dbraw/zinc/98/38/90/566983890.db2.gz UPAAPIOIWOFBGT-NSHDSACASA-N 0 0 277.389 3.712 50 0 CHAARN CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(C)cc1 ZINC000004292065 566985096 /nfs/dbraw/zinc/98/50/96/566985096.db2.gz ZYUXGACKUGQTGM-SFHVURJKSA-N 0 0 296.345 3.832 50 0 CHAARN COc1ccc(-c2cnn3ccccc23)c2cccnc12 ZINC000426429823 566987566 /nfs/dbraw/zinc/98/75/66/566987566.db2.gz OQLKZENGVHLCGM-UHFFFAOYSA-N 0 0 275.311 3.558 50 0 CHAARN Cc1nc(-c2cccc(N(C)C)c2)cc(C(C)C)n1 ZINC000426388335 566987677 /nfs/dbraw/zinc/98/76/77/566987677.db2.gz ANOGPUHUNIWIBM-UHFFFAOYSA-N 0 0 255.365 3.641 50 0 CHAARN C[C@@H](c1nccs1)N(C)C(=O)c1cccc2cccnc21 ZINC000426478872 566987883 /nfs/dbraw/zinc/98/78/83/566987883.db2.gz IWESCONBXOPABQ-NSHDSACASA-N 0 0 297.383 3.525 50 0 CHAARN CO[C@H](C)c1cccc(-c2ccc(C(=O)N(C)C)s2)c1 ZINC000426410429 566988255 /nfs/dbraw/zinc/98/82/55/566988255.db2.gz FRDYNAQKGSSOLH-LLVKDONJSA-N 0 0 289.400 3.824 50 0 CHAARN CC(C)c1nnc(-c2ccc([C@@H](C)[NH+](C)C)cc2)s1 ZINC000426722663 566990196 /nfs/dbraw/zinc/99/01/96/566990196.db2.gz QMOZCGQVQQLNHI-LLVKDONJSA-N 0 0 275.421 3.951 50 0 CHAARN COc1c(C)cc(-c2nc(C)nc(C)c2C)cc1C ZINC000426666961 566990721 /nfs/dbraw/zinc/99/07/21/566990721.db2.gz IBHOWMMISZXFEZ-UHFFFAOYSA-N 0 0 256.349 3.694 50 0 CHAARN CC(=O)N[C@@H](C)c1ccc(-c2ccccc2N(C)C)cc1 ZINC000426627810 566991278 /nfs/dbraw/zinc/99/12/78/566991278.db2.gz OPJCUNYIPDTCNZ-ZDUSSCGKSA-N 0 0 282.387 3.617 50 0 CHAARN CC(C)[C@@H]1C=CCN1C(=O)c1csc(-c2ccccc2)n1 ZINC000426701668 566991742 /nfs/dbraw/zinc/99/17/42/566991742.db2.gz SKQJJXVTRJCUJW-HNNXBMFYSA-N 0 0 298.411 3.847 50 0 CHAARN CSc1cccc(CN(C)C(=O)NC2CCCCC2)c1 ZINC000426712594 566992081 /nfs/dbraw/zinc/99/20/81/566992081.db2.gz HCSVROVIKOENAK-UHFFFAOYSA-N 0 0 292.448 3.883 50 0 CHAARN C[C@@H](NC(=O)C(C)(C)c1ccccc1)c1cccs1 ZINC000036074541 566993660 /nfs/dbraw/zinc/99/36/60/566993660.db2.gz GOCBONCDSYZMFE-GFCCVEGCSA-N 0 0 273.401 3.903 50 0 CHAARN CCCOc1ccccc1C[C@H]1c2ccccc2NC1=O ZINC000064787734 566994885 /nfs/dbraw/zinc/99/48/85/566994885.db2.gz MAXKARFZQBYNKK-HNNXBMFYSA-N 0 0 281.355 3.754 50 0 CHAARN CCCNc1ccc(-c2nc(-c3ccc(C)cc3)no2)cn1 ZINC000064676784 566995016 /nfs/dbraw/zinc/99/50/16/566995016.db2.gz ZQEKWOIHYZDBMZ-UHFFFAOYSA-N 0 0 294.358 3.929 50 0 CHAARN O=C(NC1CCCCC1)c1cncc(-c2ccccc2F)c1 ZINC000036349414 566998582 /nfs/dbraw/zinc/99/85/82/566998582.db2.gz YVKXGOBZJQJXCS-UHFFFAOYSA-N 0 0 298.361 3.950 50 0 CHAARN CC[C@H]1CN(C(=O)NCc2ccccc2)c2ccccc2O1 ZINC000006845437 566998594 /nfs/dbraw/zinc/99/85/94/566998594.db2.gz NWEVLOMGNCEDMJ-HNNXBMFYSA-N 0 0 296.370 3.574 50 0 CHAARN CC[C@H](C)NC(=O)c1ccnc(-c2ccc(C)s2)c1 ZINC000065063104 567002206 /nfs/dbraw/zinc/00/22/06/567002206.db2.gz LTLFSNHXDZHJGC-JTQLQIEISA-N 0 0 274.389 3.647 50 0 CHAARN CC(C)(C)c1cnc(CN2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000065501303 567007361 /nfs/dbraw/zinc/00/73/61/567007361.db2.gz PLQDFHHXYGRSIK-SNVBAGLBSA-N 0 0 290.329 3.746 50 0 CHAARN CCN(CCC(F)(F)F)C(=O)c1cc2ccccc2[nH]1 ZINC000065522823 567009846 /nfs/dbraw/zinc/00/98/46/567009846.db2.gz VKVSANQSERFAKU-UHFFFAOYSA-N 0 0 284.281 3.582 50 0 CHAARN CSCc1nnc(S[C@@H](C)c2ccc(F)cc2)o1 ZINC000065576555 567010070 /nfs/dbraw/zinc/01/00/70/567010070.db2.gz KPSSRTRDZSTQEH-QMMMGPOBSA-N 0 0 284.381 3.925 50 0 CHAARN CS[C@@H](C)C(=O)Nc1cnccc1Oc1ccccc1 ZINC000065538047 567010468 /nfs/dbraw/zinc/01/04/68/567010468.db2.gz KNADGLAKKFLILL-NSHDSACASA-N 0 0 288.372 3.564 50 0 CHAARN Cc1cc(O)ccc1NC(=O)Nc1ccnc(C)c1Cl ZINC000170604300 567013525 /nfs/dbraw/zinc/01/35/25/567013525.db2.gz SQTVWXCDAGCHBW-UHFFFAOYSA-N 0 0 291.738 3.701 50 0 CHAARN Cc1cnc(CN[C@H](C)c2ccc(C(F)(F)F)cc2)o1 ZINC000170606437 567014250 /nfs/dbraw/zinc/01/42/50/567014250.db2.gz UEBXVXFELVHBKK-SNVBAGLBSA-N 0 0 284.281 3.853 50 0 CHAARN CC[C@H](OC1CCCC1)C(=O)N1CCCC[C@@H]1C(C)C ZINC000170629844 567015575 /nfs/dbraw/zinc/01/55/75/567015575.db2.gz IFPQCPJEUWCPTR-CVEARBPZSA-N 0 0 281.440 3.761 50 0 CHAARN CC(C)CCO[C@@H](C)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000170626804 567015904 /nfs/dbraw/zinc/01/59/04/567015904.db2.gz ZSEYHYPEJYXMAF-FUHWJXTLSA-N 0 0 293.451 3.787 50 0 CHAARN O=C(CCCC1CCCCC1)O[C@H]1CCSC1 ZINC000170620769 567015934 /nfs/dbraw/zinc/01/59/34/567015934.db2.gz OXKUKAFTKDMVCR-ZDUSSCGKSA-N 0 0 256.411 3.786 50 0 CHAARN CC(C)CCO[C@H](C)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000170626803 567016180 /nfs/dbraw/zinc/01/61/80/567016180.db2.gz ZSEYHYPEJYXMAF-AEFFLSMTSA-N 0 0 293.451 3.787 50 0 CHAARN Cc1ccc(SCCCC(=O)Nc2nccs2)cc1 ZINC000010217906 567016815 /nfs/dbraw/zinc/01/68/15/567016815.db2.gz SOFHBPIJPQSTCQ-UHFFFAOYSA-N 0 0 292.429 3.963 50 0 CHAARN Cc1ccc(NC(=O)N2[C@H](C)CCC[C@H]2C)cc1F ZINC000013320302 567017007 /nfs/dbraw/zinc/01/70/07/567017007.db2.gz QHQLUVUFCQOICW-VXGBXAGGSA-N 0 0 264.344 3.929 50 0 CHAARN Cc1cccc(OC(C)(C)C(=O)Nc2ccccc2F)c1 ZINC000013327634 567018199 /nfs/dbraw/zinc/01/81/99/567018199.db2.gz OBOKHLWFDLDVLG-UHFFFAOYSA-N 0 0 287.334 3.930 50 0 CHAARN Cc1cc(C)cc(NC(=O)N[C@@H](C)c2cccnc2)c1 ZINC000013744303 567021021 /nfs/dbraw/zinc/02/10/21/567021021.db2.gz DROLAQFXJBRBHS-ZDUSSCGKSA-N 0 0 269.348 3.581 50 0 CHAARN CC[C@@H](C)NC(=O)N[C@@H](CC)c1cccc(Cl)c1 ZINC000013746448 567021215 /nfs/dbraw/zinc/02/12/15/567021215.db2.gz YMBFKFJZXJPYFP-MFKMUULPSA-N 0 0 268.788 3.889 50 0 CHAARN Cc1ccc(NC(=O)N[C@H](C)c2ccccn2)c(Cl)c1 ZINC000013744654 567021232 /nfs/dbraw/zinc/02/12/32/567021232.db2.gz MNIYNAFLWIPHJG-LLVKDONJSA-N 0 0 289.766 3.926 50 0 CHAARN CC[C@H](NC(=O)C1=C(Cl)CCC1)c1ccc(OC)cc1 ZINC000089947822 567030930 /nfs/dbraw/zinc/03/09/30/567030930.db2.gz ZDBQBALQQDOEPQ-HNNXBMFYSA-N 0 0 293.794 3.939 50 0 CHAARN CC(=O)CCCOC(=O)c1cc2c(s1)CCCCCC2 ZINC000089930327 567031092 /nfs/dbraw/zinc/03/10/92/567031092.db2.gz MNQKVLDJLRMGEU-UHFFFAOYSA-N 0 0 294.416 3.933 50 0 CHAARN NC(=O)Nc1ccc(/C=C\c2ccnc3ccccc23)cc1 ZINC000017062635 567032339 /nfs/dbraw/zinc/03/23/39/567032339.db2.gz UKYWSEGWWZMQDV-YVMONPNESA-N 0 0 289.338 3.896 50 0 CHAARN CC(C)c1ccc2nc([C@@H]3CCCS3)[nH]c(=O)c2c1 ZINC000084625230 567032429 /nfs/dbraw/zinc/03/24/29/567032429.db2.gz HWURKUWBCOZLJQ-ZDUSSCGKSA-N 0 0 274.389 3.615 50 0 CHAARN CC(C)CCNC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000017172524 567035112 /nfs/dbraw/zinc/03/51/12/567035112.db2.gz IEDFFKUOVRNYRM-UHFFFAOYSA-N 0 0 297.402 3.526 50 0 CHAARN Cc1ccc(OCCCOc2cccc(C=O)c2)c(C)c1 ZINC000002875541 567037376 /nfs/dbraw/zinc/03/73/76/567037376.db2.gz XIIRPUHFOIBFRY-UHFFFAOYSA-N 0 0 284.355 3.964 50 0 CHAARN O=C(C1=CCCC1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000095414609 567039368 /nfs/dbraw/zinc/03/93/68/567039368.db2.gz YGQYBJWRJNXXBM-SFHVURJKSA-N 0 0 292.382 3.530 50 0 CHAARN COc1ccccc1NC(=O)Nc1ccccc1Cl ZINC000000395157 567054757 /nfs/dbraw/zinc/05/47/57/567054757.db2.gz QFGFWIFBPJMEES-UHFFFAOYSA-N 0 0 276.723 3.993 50 0 CHAARN CCCCCC[C@H](C)S(=O)(=O)c1ccccc1 ZINC000003132720 567057874 /nfs/dbraw/zinc/05/78/74/567057874.db2.gz PNIHDTDKDYLWPI-ZDUSSCGKSA-N 0 0 254.395 3.819 50 0 CHAARN COc1c2ccccc2oc1C(=O)NCc1ccc(C)cc1 ZINC000252489135 567057991 /nfs/dbraw/zinc/05/79/91/567057991.db2.gz JGVFSIFIPWQQHZ-UHFFFAOYSA-N 0 0 295.338 3.680 50 0 CHAARN Fc1ccc(Oc2cc(N3CCCCC3)ncn2)cc1F ZINC000037377870 567058026 /nfs/dbraw/zinc/05/80/26/567058026.db2.gz ZMNSFFHKUVRTPB-UHFFFAOYSA-N 0 0 291.301 3.537 50 0 CHAARN Cc1csc2nc(C)nc(N[C@H](C)c3ccncc3)c12 ZINC000193370352 567058177 /nfs/dbraw/zinc/05/81/77/567058177.db2.gz DHGQOANNYBDZCC-SNVBAGLBSA-N 0 0 284.388 3.876 50 0 CHAARN CCCC(=O)Nc1cccc(NC[C@@H]2CCC=CO2)c1 ZINC000252508388 567060559 /nfs/dbraw/zinc/06/05/59/567060559.db2.gz XMMFKABPDLGMQR-HNNXBMFYSA-N 0 0 274.364 3.530 50 0 CHAARN CCCCCC(=O)Nc1ccc(C(=O)OCCC)cc1 ZINC000003155854 567073231 /nfs/dbraw/zinc/07/32/31/567073231.db2.gz FZLOBAQOCCSNIJ-UHFFFAOYSA-N 0 0 277.364 3.772 50 0 biogenic CHAARN O=c1oc(Nc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000034138980 567088409 /nfs/dbraw/zinc/08/84/09/567088409.db2.gz VIFWQGLEQSMDFF-UHFFFAOYSA-N 0 0 298.367 3.872 50 0 CHAARN CC(C)n1cc(C=O)c2c1c(F)c(F)c(F)c2F ZINC000140777884 567093255 /nfs/dbraw/zinc/09/32/55/567093255.db2.gz NOVUVBLXTPBBKA-UHFFFAOYSA-N 0 0 259.202 3.591 50 0 CHAARN Cc1cc(NC(=O)c2ccccc2)nc(-c2ccccc2)n1 ZINC000253429354 567098118 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3.957 50 0 CHAARN CCC(C)(C)NC(=O)c1c(C)onc1-c1ccccc1 ZINC000003327738 567170140 /nfs/dbraw/zinc/17/01/40/567170140.db2.gz ZMNMDFUAGMLMSI-UHFFFAOYSA-N 0 0 272.348 3.568 50 0 CHAARN C[C@H](NC(=O)c1ccncc1)c1ccc(Cl)cc1Cl ZINC000003336635 567170318 /nfs/dbraw/zinc/17/03/18/567170318.db2.gz SQPSRRMJOMLBRF-VIFPVBQESA-N 0 0 295.169 3.879 50 0 CHAARN Cc1ccc(NC(=O)c2ccc3ccccc3n2)c(O)c1 ZINC000003397899 567171947 /nfs/dbraw/zinc/17/19/47/567171947.db2.gz RWMSBOSTKBSADI-UHFFFAOYSA-N 0 0 278.311 3.501 50 0 CHAARN CCCc1cc(CNC(=O)c2cccc3cc(C)oc32)on1 ZINC000670441123 567172309 /nfs/dbraw/zinc/17/23/09/567172309.db2.gz LZPYTCOWQNQBBA-UHFFFAOYSA-N 0 0 298.342 3.612 50 0 CHAARN Cc1ccsc1C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000133093730 567172591 /nfs/dbraw/zinc/17/25/91/567172591.db2.gz AORRQHWAGAXFRT-UHFFFAOYSA-N 0 0 284.340 3.964 50 0 CHAARN COc1ccccc1NC(=O)c1cc2c(s1)CCCC2 ZINC000003481735 567174896 /nfs/dbraw/zinc/17/48/96/567174896.db2.gz UMFKLYUDEDUVMG-UHFFFAOYSA-N 0 0 287.384 3.888 50 0 CHAARN 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567185636 /nfs/dbraw/zinc/18/56/36/567185636.db2.gz UAXNECQCZABDEG-OAHLLOKOSA-N 0 0 272.348 3.717 50 0 CHAARN N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1 ZINC000031871545 567185715 /nfs/dbraw/zinc/18/57/15/567185715.db2.gz ORUVNCNNXWPLIQ-UHFFFAOYSA-N 0 0 298.729 3.818 50 0 CHAARN Fc1ccc(CO[C@H]2CCOc3ccccc32)cc1 ZINC000004107016 567186097 /nfs/dbraw/zinc/18/60/97/567186097.db2.gz XQAHRPDGNVJSON-INIZCTEOSA-N 0 0 258.292 3.866 50 0 CHAARN CC(=O)Nc1nc2c(cc3c4c(cccc24)CC3)s1 ZINC000004176247 567188738 /nfs/dbraw/zinc/18/87/38/567188738.db2.gz OSFJILTYLQRWLF-UHFFFAOYSA-N 0 0 268.341 3.507 50 0 CHAARN C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 ZINC000032477428 567191375 /nfs/dbraw/zinc/19/13/75/567191375.db2.gz BXUKTBPORAMBPM-GFCCVEGCSA-N 0 0 264.328 3.659 50 0 CHAARN O=C(N[C@H](c1cccs1)C1CCCC1)C1CCOCC1 ZINC000032396855 567191442 /nfs/dbraw/zinc/19/14/42/567191442.db2.gz WXLQMTCFOICVMW-HNNXBMFYSA-N 0 0 293.432 3.522 50 0 CHAARN Cn1ccnc1SCc1cc(-c2ccc(F)cc2)no1 ZINC000032322616 567192853 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Cc1ccc(SCC(=O)Nc2cccc(F)c2)cc1 ZINC000000460135 567831231 /nfs/dbraw/zinc/83/12/31/567831231.db2.gz XWZCTMRQINVYKA-UHFFFAOYSA-N 0 0 275.348 3.865 50 0 CHAARN Cc1ccc(C(=O)Nc2ccc(N(C)C)cc2)c(Cl)c1 ZINC000000458133 567831310 /nfs/dbraw/zinc/83/13/10/567831310.db2.gz QYTRFNLNSRYWIM-UHFFFAOYSA-N 0 0 288.778 3.967 50 0 CHAARN Clc1ccc(-c2noc(COc3ccccc3)n2)cc1 ZINC000000459562 567831380 /nfs/dbraw/zinc/83/13/80/567831380.db2.gz LRBFWOJCUCINJG-UHFFFAOYSA-N 0 0 286.718 3.969 50 0 CHAARN CCN(C(=O)COc1cc(C)cc(C)c1)c1ccccc1 ZINC000000464635 567831545 /nfs/dbraw/zinc/83/15/45/567831545.db2.gz OUBAZJKCQPLODR-UHFFFAOYSA-N 0 0 283.371 3.735 50 0 CHAARN CCN(C(=O)Cc1ccc(C)cc1)c1ccccc1 ZINC000000465872 567831583 /nfs/dbraw/zinc/83/15/83/567831583.db2.gz RAMJZKCWRSFQNZ-UHFFFAOYSA-N 0 0 253.345 3.591 50 0 CHAARN COc1ccccc1-c1nc2ccc(Cl)cc2c(=O)o1 ZINC000000466955 567831679 /nfs/dbraw/zinc/83/16/79/567831679.db2.gz SSJAMERFGKGPHJ-UHFFFAOYSA-N 0 0 287.702 3.517 50 0 CHAARN CCN(Cc1ccccc1)C(=O)CSCc1ccccc1 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CC(C)(C)C(=O)Nc1cccc(-n2cc[nH]c2=S)c1 ZINC000047473619 567945663 /nfs/dbraw/zinc/94/56/63/567945663.db2.gz MDDRTAPTHJLGKR-UHFFFAOYSA-N 0 0 275.377 3.519 50 0 CHAARN O=C(NCc1ccc(F)cc1Cl)Nc1ccc(F)cc1 ZINC000044845329 567945999 /nfs/dbraw/zinc/94/59/99/567945999.db2.gz ZDLNQOTWUWAIJN-UHFFFAOYSA-N 0 0 296.704 3.940 50 0 CHAARN Cc1ccccc1-n1ccnc1S[C@@H]1CCCCC1=O ZINC000048309627 567946383 /nfs/dbraw/zinc/94/63/83/567946383.db2.gz HFTUAMGKHLHHDA-OAHLLOKOSA-N 0 0 286.400 3.785 50 0 CHAARN CCC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000048356597 567946446 /nfs/dbraw/zinc/94/64/46/567946446.db2.gz HMQJBADNUYGQBJ-CYBMUJFWSA-N 0 0 251.345 3.829 50 0 CHAARN Cc1cc(C)cc(N[C@@H]2OC(=O)c3ccccc32)c1 ZINC000002482659 567946561 /nfs/dbraw/zinc/94/65/61/567946561.db2.gz RVFFJADSRQKRQG-OAHLLOKOSA-N 0 0 253.301 3.585 50 0 CHAARN Cc1ccoc1C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000049765036 567946719 /nfs/dbraw/zinc/94/67/19/567946719.db2.gz KYKMBYFUFJHTAK-HNNXBMFYSA-N 0 0 284.359 3.741 50 0 CHAARN CC[C@@H]1CN(C(=O)NCc2ccccc2)c2ccccc2O1 ZINC000006845417 567947212 /nfs/dbraw/zinc/94/72/12/567947212.db2.gz NWEVLOMGNCEDMJ-OAHLLOKOSA-N 0 0 296.370 3.574 50 0 CHAARN Cc1cc2c(ncnc2Nc2ccc(F)cc2)s1 ZINC000000756919 567947971 /nfs/dbraw/zinc/94/79/71/567947971.db2.gz JQGDYTSAPHELGZ-UHFFFAOYSA-N 0 0 259.309 3.882 50 0 CHAARN CC(C)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000800881 567948132 /nfs/dbraw/zinc/94/81/32/567948132.db2.gz WUNHWERGJQVSHC-UHFFFAOYSA-N 0 0 263.724 3.738 50 0 CHAARN CC(=O)Sc1ccccc1C(=O)Nc1ccccc1 ZINC000071771943 567948295 /nfs/dbraw/zinc/94/82/95/567948295.db2.gz QGWBRPQNEBSYBO-UHFFFAOYSA-N 0 0 271.341 3.578 50 0 CHAARN CC(=O)Nc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000000456817 567949124 /nfs/dbraw/zinc/94/91/24/567949124.db2.gz JLWOLQCRSHKHEI-UHFFFAOYSA-N 0 0 263.381 3.946 50 0 CHAARN CC(C)[C@@H]1CCCN(C(=O)CO[C@H]2CCCC[C@@H]2C)CC1 ZINC000225432507 567953496 /nfs/dbraw/zinc/95/34/96/567953496.db2.gz QNQKLJSOEBOSIJ-BBWFWOEESA-N 0 0 295.467 3.866 50 0 CHAARN CCC[C@@](C)(CC)C(=O)NC[C@H](C)Nc1ccccc1 ZINC000225458859 567953815 /nfs/dbraw/zinc/95/38/15/567953815.db2.gz BVNHPDREWBJRKX-WMLDXEAASA-N 0 0 276.424 3.820 50 0 CHAARN O=C(Nc1cncc(F)c1)Nc1ccccc1C(F)(F)F ZINC000225629847 567954211 /nfs/dbraw/zinc/95/42/11/567954211.db2.gz HIOXNJVRQROLRC-UHFFFAOYSA-N 0 0 299.227 3.884 50 0 CHAARN C[C@H](Nc1ncnc2sccc21)c1cccc(O)c1 ZINC000058298230 567956099 /nfs/dbraw/zinc/95/60/99/567956099.db2.gz GCXIAPCECYFNII-VIFPVBQESA-N 0 0 271.345 3.570 50 0 CHAARN Cc1cc(CNc2cc(Cl)ccc2Cl)no1 ZINC000058337367 567956229 /nfs/dbraw/zinc/95/62/29/567956229.db2.gz RRCZKUCRCIHTHC-UHFFFAOYSA-N 0 0 257.120 3.902 50 0 CHAARN CCCCSCC(=O)Nc1cccc(NC(=O)CC)c1 ZINC000024874388 570228220 /nfs/dbraw/zinc/22/82/20/570228220.db2.gz XLNLLMKKVXAMNO-UHFFFAOYSA-N 0 0 294.420 3.507 50 0 CHAARN COc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 ZINC000000464045 570218583 /nfs/dbraw/zinc/21/85/83/570218583.db2.gz HFIPTCRXLLSUFG-AWEZNQCLSA-N 0 0 299.370 3.718 50 0 CHAARN Fc1cccc(NC(=S)N2CCc3ccccc32)c1 ZINC000013838787 570221534 /nfs/dbraw/zinc/22/15/34/570221534.db2.gz LXPDPGWVZGTPTC-UHFFFAOYSA-N 0 0 272.348 3.585 50 0 CHAARN C[C@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000032779885 570222597 /nfs/dbraw/zinc/22/25/97/570222597.db2.gz GLANUJZDWUSLJY-JTQLQIEISA-N 0 0 276.767 3.836 50 0 CHAARN C[C@H](C1CC1)N(C)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000032786928 570222635 /nfs/dbraw/zinc/22/26/35/570222635.db2.gz OASIGLGLEJTMPH-SECBINFHSA-N 0 0 276.767 3.692 50 0 CHAARN Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CCCO2)cc1 ZINC000014020524 570223441 /nfs/dbraw/zinc/22/34/41/570223441.db2.gz RPOQEWQEZVLUKI-QGZVFWFLSA-N 0 0 297.354 3.905 50 0 CHAARN CC[C@@H](Oc1ccc(C)cc1)C(=O)NC1CCCCC1 ZINC000014013423 570223467 /nfs/dbraw/zinc/22/34/67/570223467.db2.gz SWOVUWHRRAACQJ-MRXNPFEDSA-N 0 0 275.392 3.601 50 0 CHAARN CCc1c(C)sc(N)c1C(=O)Nc1ccccc1C ZINC000017007332 570226766 /nfs/dbraw/zinc/22/67/66/570226766.db2.gz NCXTXKLNLYDNIT-UHFFFAOYSA-N 0 0 274.389 3.762 50 0 CHAARN CCOC(=O)[C@@H](CC)Oc1cccc(Cl)c1Cl ZINC000017007685 570226767 /nfs/dbraw/zinc/22/67/67/570226767.db2.gz CMWUQGPKQKYZGW-SECBINFHSA-N 0 0 277.147 3.714 50 0 CHAARN CCc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)o1 ZINC000024916524 570228165 /nfs/dbraw/zinc/22/81/65/570228165.db2.gz KQKNEQRXJDDBLT-JTQLQIEISA-N 0 0 275.373 3.663 50 0 CHAARN CCOC(=O)c1ccc(Sc2ccc(C)cc2)nc1 ZINC000025067036 570229433 /nfs/dbraw/zinc/22/94/33/570229433.db2.gz GNJMRIJQADXEOO-UHFFFAOYSA-N 0 0 273.357 3.718 50 0 CHAARN CC[C@H](C(=O)NCc1cc(C)ccc1OC)c1ccccc1 ZINC000025557065 570230650 /nfs/dbraw/zinc/23/06/50/570230650.db2.gz DPXGPPJEVZYMOC-KRWDZBQOSA-N 0 0 297.398 3.814 50 0 CHAARN C[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000025559611 570230995 /nfs/dbraw/zinc/23/09/95/570230995.db2.gz RXLYGEIDLJOVMZ-GXFFZTMASA-N 0 0 270.357 3.638 50 0 CHAARN O=C(Nc1cccc2c[nH]nc21)c1csc2c1CCCC2 ZINC000025585154 570231035 /nfs/dbraw/zinc/23/10/35/570231035.db2.gz KCOXJLAXJIQTMF-UHFFFAOYSA-N 0 0 297.383 3.756 50 0 CHAARN c1ccc(Nc2nnc(-c3ccccc3)s2)cc1 ZINC000026439477 570231804 /nfs/dbraw/zinc/23/18/04/570231804.db2.gz OBDULOLVDJHSJL-UHFFFAOYSA-N 0 0 253.330 3.949 50 0 CHAARN Cc1cc2sc(NCc3ccccn3)nc2c(C)c1 ZINC000026422471 570232000 /nfs/dbraw/zinc/23/20/00/570232000.db2.gz VJPXCEJDGKRNGY-UHFFFAOYSA-N 0 0 269.373 3.920 50 0 CHAARN Clc1ccc2nc(NC[C@H]3CCCO3)sc2c1 ZINC000026423910 570232035 /nfs/dbraw/zinc/23/20/35/570232035.db2.gz LAGCRDODIZKAKV-SECBINFHSA-N 0 0 268.769 3.541 50 0 CHAARN O=[N+]([O-])c1ccccc1N=NCc1ccccc1Cl ZINC000013512390 570235878 /nfs/dbraw/zinc/23/58/78/570235878.db2.gz VMYPXLBUMROAIU-UHFFFAOYSA-N 0 0 275.695 3.694 50 0 CHAARN COc1ccc(C2=CCN(C(=O)c3cccs3)CC2)cc1 ZINC000047554437 570237587 /nfs/dbraw/zinc/23/75/87/570237587.db2.gz FLFPDWKFHUEMBG-UHFFFAOYSA-N 0 0 299.395 3.686 50 0 CHAARN COc1cccc(-c2cc(=O)c3cccc(C)c3o2)c1 ZINC000048057063 570238006 /nfs/dbraw/zinc/23/80/06/570238006.db2.gz GCTAFXMIOTXQAW-UHFFFAOYSA-N 0 0 266.296 3.777 50 0 CHAARN CCc1noc([C@H](C)Sc2ncc(C(C)(C)C)o2)n1 ZINC000095416502 570239659 /nfs/dbraw/zinc/23/96/59/570239659.db2.gz ZZHBEQPEAFYCTA-QMMMGPOBSA-N 0 0 281.381 3.771 50 0 CHAARN COc1ccc(/C=C/c2ccnc(N3CCCCC3)n2)cc1 ZINC000067320883 570246273 /nfs/dbraw/zinc/24/62/73/570246273.db2.gz YAGSZIRGVCTGBI-VMPITWQZSA-N 0 0 295.386 3.646 50 0 CHAARN CCC(CC)C(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000033138507 570247859 /nfs/dbraw/zinc/24/78/59/570247859.db2.gz VHIGBAAYAUXKKW-UHFFFAOYSA-N 0 0 285.347 3.644 50 0 CHAARN Cc1ccccc1NC(=O)NCc1ccc(C2CC2)nc1 ZINC000585150431 570253845 /nfs/dbraw/zinc/25/38/45/570253845.db2.gz VZUROMBGRJQFGC-UHFFFAOYSA-N 0 0 281.359 3.589 50 0 CHAARN CCN(CC)C(=O)C[C@H](c1ccco1)c1ccc(F)cc1 ZINC000000215899 570263627 /nfs/dbraw/zinc/26/36/27/570263627.db2.gz VSNZANYKTHAKLA-HNNXBMFYSA-N 0 0 289.350 3.809 50 0 CHAARN C[C@@H]1CCC[C@H](Nc2cccc(C[S@](C)=O)c2)[C@@H]1C ZINC000221359306 570265971 /nfs/dbraw/zinc/26/59/71/570265971.db2.gz SILIOTDCYBBNAK-LYMQGIMYSA-N 0 0 279.449 3.802 50 0 CHAARN CC(C)(C)C(=O)Nc1ccccc1[C@@H](O)c1ccccc1 ZINC000000383271 570266434 /nfs/dbraw/zinc/26/64/34/570266434.db2.gz RYPJGLXBQYWFFF-INIZCTEOSA-N 0 0 283.371 3.753 50 0 CHAARN CC(C)[C@H]1CCN(C(=O)[C@@H]2SCCc3ccccc32)C1 ZINC000079070422 570273048 /nfs/dbraw/zinc/27/30/48/570273048.db2.gz NFIQJVPDWVDDDO-GOEBONIOSA-N 0 0 289.444 3.522 50 0 CHAARN Cc1cc(C)cc([C@H]2CCCN2C(=O)Cc2cccnc2)c1 ZINC000079349735 570273384 /nfs/dbraw/zinc/27/33/84/570273384.db2.gz IALFRRZLIQFHQY-GOSISDBHSA-N 0 0 294.398 3.605 50 0 CHAARN S=C1[C@@H](c2ccccc2)c2cccc3c2N1CCC3 ZINC000206266502 570274276 /nfs/dbraw/zinc/27/42/76/570274276.db2.gz SOTJFYVKSSDAHT-HNNXBMFYSA-N 0 0 265.381 3.912 50 0 CHAARN Cc1onc(-c2ccccc2)c1C(=O)NCC1CCCCC1 ZINC000003452215 570275007 /nfs/dbraw/zinc/27/50/07/570275007.db2.gz KLISUBJOIVHGGW-UHFFFAOYSA-N 0 0 298.386 3.960 50 0 CHAARN Cc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)s1 ZINC000003373264 570275160 /nfs/dbraw/zinc/27/51/60/570275160.db2.gz WXLKSWVXVOKVCZ-MDWZMJQESA-N 0 0 287.315 3.540 50 0 CHAARN CCCOc1ccccc1NC(=O)c1ccccc1F ZINC000003554310 570278911 /nfs/dbraw/zinc/27/89/11/570278911.db2.gz FHKGDLNXNVPYFO-UHFFFAOYSA-N 0 0 273.307 3.867 50 0 CHAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC1CCCCC1 ZINC000003607465 570279336 /nfs/dbraw/zinc/27/93/36/570279336.db2.gz QNRMJCMFCPZIJT-LBPRGKRZSA-N 0 0 295.810 3.865 50 0 CHAARN CCn1c2ccccc2nc1NCc1ccccc1OC ZINC000000531034 570286186 /nfs/dbraw/zinc/28/61/86/570286186.db2.gz AWACKYBLSACVPZ-UHFFFAOYSA-N 0 0 281.359 3.677 50 0 CHAARN C[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2-n2cccn2)C1 ZINC000048151654 570296172 /nfs/dbraw/zinc/29/61/72/570296172.db2.gz LFXLFKJSADVSEQ-UONOGXRCSA-N 0 0 298.390 3.573 50 0 CHAARN c1sc(-c2cnccn2)nc1-c1ccc2c(c1)CCC2 ZINC000048640712 570298966 /nfs/dbraw/zinc/29/89/66/570298966.db2.gz SLCDCEMCGRGVGB-UHFFFAOYSA-N 0 0 279.368 3.756 50 0 CHAARN CC(C)(C)OC(=O)Nc1cc(Cl)cnc1Cl ZINC000116881876 570300348 /nfs/dbraw/zinc/30/03/48/570300348.db2.gz SHYXVAYTFAZGCD-UHFFFAOYSA-N 0 0 263.124 3.735 50 0 CHAARN CN(C)c1ccc2cc(-c3ccccc3F)c(N)nc2c1 ZINC000216492446 570301422 /nfs/dbraw/zinc/30/14/22/570301422.db2.gz RHAQINSYYSNKKI-UHFFFAOYSA-N 0 0 281.334 3.689 50 0 in-vitro CHAARN CCc1cc(CN(C)Cc2ccc(OC)c(Cl)c2)on1 ZINC000215484233 570303372 /nfs/dbraw/zinc/30/33/72/570303372.db2.gz MVTXYFQUALOTIK-UHFFFAOYSA-N 0 0 294.782 3.531 50 0 CHAARN CN(Cc1nc(-c2ccccc2)cs1)Cc1ccccn1 ZINC000216128129 570305235 /nfs/dbraw/zinc/30/52/35/570305235.db2.gz DPWGACVPSHAOBM-UHFFFAOYSA-N 0 0 295.411 3.837 50 0 CHAARN CCCCC[C@@H](C)NC(=O)c1cn2cc(Cl)ccc2n1 ZINC000012323711 570307514 /nfs/dbraw/zinc/30/75/14/570307514.db2.gz OXZRFYKPLSSUPK-LLVKDONJSA-N 0 0 293.798 3.686 50 0 CHAARN C/C(=C\C(=O)Nc1ccc(Oc2cnccn2)cc1)C1CC1 ZINC000055386994 570310217 /nfs/dbraw/zinc/31/02/17/570310217.db2.gz LKAZPCMUUZMLMF-ZRDIBKRKSA-N 0 0 295.342 3.564 50 0 CHAARN CCN(C[C@H]1CCCCO1)C(=O)c1ccc(Cl)c(C)c1 ZINC000220322855 570310640 /nfs/dbraw/zinc/31/06/40/570310640.db2.gz WOHAOCCVBGVMOF-CQSZACIVSA-N 0 0 295.810 3.680 50 0 CHAARN COc1ccc(-c2noc(/C=C\c3ccccc3)n2)cc1 ZINC000033414216 570311990 /nfs/dbraw/zinc/31/19/90/570311990.db2.gz PTXPEIZRXMDLQB-GHXNOFRVSA-N 0 0 278.311 3.916 50 0 CHAARN C[C@@H]1[C@@H](c2ccccc2)O[C@@H](c2cccs2)N1C ZINC000033383550 570312069 /nfs/dbraw/zinc/31/20/69/570312069.db2.gz UFDNKBVVFFWGRF-UGFHNGPFSA-N 0 0 259.374 3.839 50 0 CHAARN Cc1ccc(C(=O)NCCCOc2cccc(C)c2)s1 ZINC000012397553 570316073 /nfs/dbraw/zinc/31/60/73/570316073.db2.gz NEHQLZMDIRLJRW-UHFFFAOYSA-N 0 0 289.400 3.564 50 0 CHAARN CC(C)(C)CC(=O)NCc1ccc(-c2ccco2)o1 ZINC000575606299 570319170 /nfs/dbraw/zinc/31/91/70/570319170.db2.gz UOZNUNRAJGIEOA-UHFFFAOYSA-N 0 0 261.321 3.592 50 0 CHAARN CC[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1nc(C)c(C)s1 ZINC000426727517 570319248 /nfs/dbraw/zinc/31/92/48/570319248.db2.gz QMSUSUHJFIFEMB-SNVBAGLBSA-N 0 0 297.811 3.623 50 0 CHAARN CCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000001016980 570323521 /nfs/dbraw/zinc/32/35/21/570323521.db2.gz OFZIMGIJJQYXAB-UHFFFAOYSA-N 0 0 289.762 3.920 50 0 CHAARN Clc1ccc2c(c1)ncnc2Nc1ccc2n[nH]cc2c1 ZINC000012545951 570327784 /nfs/dbraw/zinc/32/77/84/570327784.db2.gz IAHCMINMVVHOKP-UHFFFAOYSA-N 0 0 295.733 3.903 50 0 CHAARN O=C(Nc1cc(Cl)cc2cccnc21)c1ccoc1 ZINC000012545689 570327795 /nfs/dbraw/zinc/32/77/95/570327795.db2.gz GYFSFQFASISVJI-UHFFFAOYSA-N 0 0 272.691 3.734 50 0 CHAARN COC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000003897343 570328670 /nfs/dbraw/zinc/32/86/70/570328670.db2.gz JFRMQGWZTDYHRK-UHFFFAOYSA-N 0 0 286.371 3.647 50 0 CHAARN CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000012601036 570329097 /nfs/dbraw/zinc/32/90/97/570329097.db2.gz BKFBGAGULYVCCT-MRXNPFEDSA-N 0 0 293.370 3.834 50 0 CHAARN COc1cccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)c1 ZINC000012618585 570329723 /nfs/dbraw/zinc/32/97/23/570329723.db2.gz WAOHGAYUURJKOO-INIZCTEOSA-N 0 0 299.395 3.659 50 0 CHAARN Fc1ccc(F)c(-c2csc(NC[C@H]3CCCO3)n2)c1 ZINC000012616339 570329744 /nfs/dbraw/zinc/32/97/44/570329744.db2.gz SEJHPQAAJUNQCV-SNVBAGLBSA-N 0 0 296.342 3.679 50 0 CHAARN COc1ccccc1NC(=O)[C@H]1Cc2ccc(C)cc2S1 ZINC000012618728 570329765 /nfs/dbraw/zinc/32/97/65/570329765.db2.gz ZFWKQXHVVWWVON-MRXNPFEDSA-N 0 0 299.395 3.659 50 0 CHAARN COc1ccc(C)cc1NC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000012730310 570333025 /nfs/dbraw/zinc/33/30/25/570333025.db2.gz FSAREUPRWQAQPF-GFCCVEGCSA-N 0 0 288.174 3.526 50 0 CHAARN Cc1nc(-c2ccc(NC(=O)c3ccccc3)c(C)c2)no1 ZINC000001428892 570335741 /nfs/dbraw/zinc/33/57/41/570335741.db2.gz GBSPAYABXBOCJT-UHFFFAOYSA-N 0 0 293.326 3.606 50 0 CHAARN Cc1ccc(/C=C/C(=O)c2ccc(N3N=N3)cc2)cc1 ZINC000004991008 570337473 /nfs/dbraw/zinc/33/74/73/570337473.db2.gz CHYBCRFFCRNBKR-IZZDOVSWSA-N 0 0 263.300 3.993 50 0 CHAARN COC(C)(C)c1noc([C@H]2C[C@H]2c2ccccc2C)n1 ZINC000085237852 570337958 /nfs/dbraw/zinc/33/79/58/570337958.db2.gz VHYUZQQJXWAQAN-STQMWFEESA-N 0 0 272.348 3.531 50 0 CHAARN C[C@@H]1CCC[C@@H](C(=O)Nc2nc(C3CC3)cs2)C1 ZINC000150785071 570338486 /nfs/dbraw/zinc/33/84/86/570338486.db2.gz MNTBKMFSKWIGJZ-MWLCHTKSSA-N 0 0 264.394 3.785 50 0 CHAARN CC(C)CCn1c(CO)cnc1SCc1ccccc1 ZINC000012382241 570338882 /nfs/dbraw/zinc/33/88/82/570338882.db2.gz VMVNDFWLODWLIW-UHFFFAOYSA-N 0 0 290.432 3.714 50 0 CHAARN O=C(Nc1cccc(Cl)c1)c1ccc2cccc(O)c2n1 ZINC000015825889 570341607 /nfs/dbraw/zinc/34/16/07/570341607.db2.gz VMZWAVQGBGKUOG-UHFFFAOYSA-N 0 0 298.729 3.846 50 0 CHAARN CC(C)CNC(=O)Nc1c(Cl)cccc1Cl ZINC000000396809 570342357 /nfs/dbraw/zinc/34/23/57/570342357.db2.gz XFTACIKVHBHRCW-UHFFFAOYSA-N 0 0 261.152 3.771 50 0 CHAARN Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@H]2O ZINC000000398879 570342889 /nfs/dbraw/zinc/34/28/89/570342889.db2.gz CEUFYXORISZJGP-CYBMUJFWSA-N 0 0 266.127 3.638 50 0 CHAARN Cc1ccccc1NC(=O)NCc1ccc2ncccc2c1 ZINC000015862389 570345117 /nfs/dbraw/zinc/34/51/17/570345117.db2.gz WSAFUFRBGKJCLP-UHFFFAOYSA-N 0 0 291.354 3.865 50 0 CHAARN CCCNC(=O)CCc1ccc(-c2ccc(C)cc2)o1 ZINC000015867420 570345279 /nfs/dbraw/zinc/34/52/79/570345279.db2.gz JZAIQRSDHPSXNM-UHFFFAOYSA-N 0 0 271.360 3.714 50 0 CHAARN CC(C)=C[C@@H]1[C@H](C(=O)O[C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1(C)C ZINC000239722610 570355153 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UPGHWWOAZTWUKN-UHFFFAOYSA-N 0 0 296.164 3.670 50 0 CHAARN CCCCC[C@H](C)NC(=O)c1ccc(Br)o1 ZINC000002479910 570277598 /nfs/dbraw/zinc/27/75/98/570277598.db2.gz ZFVYCTIRZHJYFW-VIFPVBQESA-N 0 0 288.185 3.741 50 0 CHAARN CC1CCN(C(=S)c2ccc(Br)cc2)CC1 ZINC000002758579 570278055 /nfs/dbraw/zinc/27/80/55/570278055.db2.gz IKMFRFIHUFFRAB-UHFFFAOYSA-N 0 0 298.249 3.857 50 0 CHAARN CC(C)(C)c1nnc(NC(=S)Nc2ccccc2)s1 ZINC000013545055 570284785 /nfs/dbraw/zinc/28/47/85/570284785.db2.gz DAIZSDINGBOXEC-UHFFFAOYSA-N 0 0 292.433 3.645 50 0 CHAARN CCSc1nc2sc3c(c2c(N)n1)[C@@H](C)CCC3 ZINC000000520099 570285502 /nfs/dbraw/zinc/28/55/02/570285502.db2.gz HUXJIRRJTPCWPP-ZETCQYMHSA-N 0 0 279.434 3.825 50 0 CHAARN C[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)[C@H]1C ZINC000108926271 570295063 /nfs/dbraw/zinc/29/50/63/570295063.db2.gz IEEWYRIOJGULGV-DVOMOZLQSA-N 0 0 284.403 3.651 50 0 CHAARN C[C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c3ccccc23)[C@H]1C ZINC000108926273 570295069 /nfs/dbraw/zinc/29/50/69/570295069.db2.gz IEEWYRIOJGULGV-WWGRRREGSA-N 0 0 284.403 3.651 50 0 CHAARN O=C(Nc1ccccc1-n1cccn1)NC1CCCCCC1 ZINC000048152320 570296132 /nfs/dbraw/zinc/29/61/32/570296132.db2.gz CVAYWCPCTKOACG-UHFFFAOYSA-N 0 0 298.390 3.717 50 0 CHAARN COC(=O)c1cc2ccccc2cc1OCc1cc(C)on1 ZINC000048264657 570296562 /nfs/dbraw/zinc/29/65/62/570296562.db2.gz PQWYNXOVGKVWBX-UHFFFAOYSA-N 0 0 297.310 3.502 50 0 CHAARN O=C(C[C@H]1C=CCC1)Nc1ccnn1C1CCCCC1 ZINC000048325324 570297216 /nfs/dbraw/zinc/29/72/16/570297216.db2.gz NFJMKANIKSSQSC-ZDUSSCGKSA-N 0 0 273.380 3.683 50 0 CHAARN Cc1nc(C)c([C@H](C)NC(=O)c2c(C)oc(C)c2C)s1 ZINC000048749471 570299170 /nfs/dbraw/zinc/29/91/70/570299170.db2.gz NXGCWWLSZOLGIQ-VIFPVBQESA-N 0 0 292.404 3.769 50 0 CHAARN C[C@H](c1ccon1)N(C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000215766114 570303853 /nfs/dbraw/zinc/30/38/53/570303853.db2.gz PALXGRPHTDTEDN-GFCCVEGCSA-N 0 0 286.375 3.581 50 0 CHAARN CC1(C)CN(Cc2ccc([C@@H]3CCCCO3)s2)CCO1 ZINC000216038887 570305059 /nfs/dbraw/zinc/30/50/59/570305059.db2.gz JJGRSVGETZRJNR-AWEZNQCLSA-N 0 0 295.448 3.601 50 0 CHAARN CCN1C=C(c2csc(C)n2)[C@H](c2ccccc2)NC1=O ZINC000012323463 570307524 /nfs/dbraw/zinc/30/75/24/570307524.db2.gz NFDVUUIMJUSTKA-HNNXBMFYSA-N 0 0 299.399 3.579 50 0 CHAARN Clc1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000055543166 570309695 /nfs/dbraw/zinc/30/96/95/570309695.db2.gz VGOSMRSKOCAHPD-UHFFFAOYSA-N 0 0 286.806 3.662 50 0 CHAARN Clc1cccc(CN2CCN(c3ccccc3)CC2)c1 ZINC000055542908 570309822 /nfs/dbraw/zinc/30/98/22/570309822.db2.gz DTMFRTHCCFSRNT-UHFFFAOYSA-N 0 0 286.806 3.662 50 0 CHAARN FC(F)(F)c1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000072233601 570310947 /nfs/dbraw/zinc/31/09/47/570310947.db2.gz VAVZHVQREZLGPJ-SECBINFHSA-N 0 0 280.673 3.917 50 0 CHAARN O=C(C=Cc1cccs1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000024894905 570312020 /nfs/dbraw/zinc/31/20/20/570312020.db2.gz XRVZILZKFFQXSC-VOTSOKGWSA-N 0 0 295.367 3.790 50 0 CHAARN O=C(Nc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000024833811 570312094 /nfs/dbraw/zinc/31/20/94/570312094.db2.gz HLKVKCMPRZNMIW-MRXNPFEDSA-N 0 0 251.329 3.745 50 0 CHAARN Cc1ccc(F)cc1NCC(=O)Nc1ccccc1Cl ZINC000003398456 570312797 /nfs/dbraw/zinc/31/27/97/570312797.db2.gz ZETJLJVLOUPVQD-UHFFFAOYSA-N 0 0 292.741 3.838 50 0 CHAARN CCCCn1ccc(=O)c(OCc2ccccc2)c1C ZINC000034412455 570316416 /nfs/dbraw/zinc/31/64/16/570316416.db2.gz HAMSDWQXEVMRLP-UHFFFAOYSA-N 0 0 271.360 3.536 50 0 CHAARN c1csc([C@H]2CCN2Cc2nnc(-c3ccccc3)o2)c1 ZINC000244852606 570320708 /nfs/dbraw/zinc/32/07/08/570320708.db2.gz UVPRQBFGILHCIS-CYBMUJFWSA-N 0 0 297.383 3.745 50 0 CHAARN COc1cccc2c(=O)c(CC=C(Cl)Cl)c(C)[nH]c12 ZINC000012320959 570321816 /nfs/dbraw/zinc/32/18/16/570321816.db2.gz JEDKXMIBULUSGQ-UHFFFAOYSA-N 0 0 298.169 3.707 50 0 CHAARN CC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000001021228 570323940 /nfs/dbraw/zinc/32/39/40/570323940.db2.gz WJXKAZLCVHFCAU-IAGOWNOFSA-N 0 0 279.339 3.631 50 0 CHAARN c1c(CNc2nc3ccccc3s2)nc2ccccn12 ZINC000025371076 570323945 /nfs/dbraw/zinc/32/39/45/570323945.db2.gz YAFPBCVOAYPZLH-UHFFFAOYSA-N 0 0 280.356 3.556 50 0 CHAARN O=C1OC(=CNC23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000005948225 570326221 /nfs/dbraw/zinc/32/62/21/570326221.db2.gz PEQRYAJTVWYIFK-BOPFTXTBSA-N 0 0 295.382 3.714 50 0 CHAARN CC(C)n1c(CNC(=O)c2ccccc2)nc2ccccc21 ZINC000003896607 570328636 /nfs/dbraw/zinc/32/86/36/570328636.db2.gz UHQLKBZXUPPTJO-UHFFFAOYSA-N 0 0 293.370 3.547 50 0 CHAARN C[C@@H]1CC[C@H]2[C@@H](C1)c1sc(=O)[nH]c1SC2(C)C ZINC000003905269 570328983 /nfs/dbraw/zinc/32/89/83/570328983.db2.gz OQJMAILQCVBBBU-HLTSFMKQSA-N 0 0 269.435 3.841 50 0 CHAARN Cc1noc(C)c1CCC(=O)Nc1ccc(Cl)cc1C ZINC000012599825 570329206 /nfs/dbraw/zinc/32/92/06/570329206.db2.gz BZMFZIIYNXWHMN-UHFFFAOYSA-N 0 0 292.766 3.825 50 0 CHAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1cccc(C)c1)C2 ZINC000012618284 570329752 /nfs/dbraw/zinc/32/97/52/570329752.db2.gz WIWFWCQXPXMAGB-INIZCTEOSA-N 0 0 283.396 3.959 50 0 CHAARN O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)C1CC1 ZINC000012625240 570330648 /nfs/dbraw/zinc/33/06/48/570330648.db2.gz WMTBKSWOIKISNG-UHFFFAOYSA-N 0 0 285.318 3.644 50 0 CHAARN COc1ccc2[nH]c(=S)n(CC(=O)c3ccccc3)c2c1 ZINC000004053348 570331143 /nfs/dbraw/zinc/33/11/43/570331143.db2.gz GKPABFWXAWHLJQ-UHFFFAOYSA-N 0 0 298.367 3.590 50 0 CHAARN CCC(=O)Nc1nc(-c2c(C)[nH]c3ccccc32)cs1 ZINC000012687630 570332061 /nfs/dbraw/zinc/33/20/61/570332061.db2.gz ZQADSEURWSHMIG-UHFFFAOYSA-N 0 0 285.372 3.948 50 0 CHAARN CC(=O)NCC[C@@H]1[C@@H](c2c(C)[nH]c3ccccc32)C1(C)C ZINC000001414674 570334319 /nfs/dbraw/zinc/33/43/19/570334319.db2.gz VDKKKDCNGYVWHA-PBHICJAKSA-N 0 0 284.403 3.742 50 0 biogenic CHAARN CSc1ccc(C)c(C(=O)NCCc2ccccc2)c1 ZINC000012850100 570340988 /nfs/dbraw/zinc/34/09/88/570340988.db2.gz CXSNJDALAOAVBQ-UHFFFAOYSA-N 0 0 285.412 3.689 50 0 CHAARN C[C@H](NC(=O)COc1ccccc1)c1cc2ccccc2o1 ZINC000012886720 570346628 /nfs/dbraw/zinc/34/66/28/570346628.db2.gz CMBGZOKGDJEZQZ-ZDUSSCGKSA-N 0 0 295.338 3.689 50 0 CHAARN COc1ccc2c(c1)-c1ccccc1[C@]2(O)c1ccccc1 ZINC000006182349 570347700 /nfs/dbraw/zinc/34/77/00/570347700.db2.gz MNZZNSMPTIWQMO-HXUWFJFHSA-N 0 0 288.346 3.960 50 0 CHAARN Cc1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1 ZINC000006215316 570349667 /nfs/dbraw/zinc/34/96/67/570349667.db2.gz DAIASWMZQYEEEC-UHFFFAOYSA-N 0 0 295.367 3.766 50 0 CHAARN Cc1ccc(CNC(=O)c2cccc(C)c2C)cc1 ZINC000006218547 570349735 /nfs/dbraw/zinc/34/97/35/570349735.db2.gz JORMFJXMGCZZTF-UHFFFAOYSA-N 0 0 253.345 3.542 50 0 CHAARN COc1cccc(OC)c1SCc1c(C)noc1C ZINC000191291900 570353594 /nfs/dbraw/zinc/35/35/94/570353594.db2.gz DYUCOGCVMNRKCM-UHFFFAOYSA-N 0 0 279.361 3.601 50 0 CHAARN Cc1cc([C@H]2CCCN2c2nc3ccccc3s2)no1 ZINC000013004133 570354301 /nfs/dbraw/zinc/35/43/01/570354301.db2.gz BICDNKXJDYCFIJ-CYBMUJFWSA-N 0 0 285.372 3.934 50 0 CHAARN Cc1[nH]c2ccc(C(=O)Nc3ccccc3O)cc2c1C ZINC000013005871 570354305 /nfs/dbraw/zinc/35/43/05/570354305.db2.gz PXJHDLJFFUDNBO-UHFFFAOYSA-N 0 0 280.327 3.743 50 0 CHAARN CN1CCCc2c(c3cc(F)ccc3n2-c2cccnc2)C1 ZINC000075567351 570355827 /nfs/dbraw/zinc/35/58/27/570355827.db2.gz DZUDQWSASGHFDF-UHFFFAOYSA-N 0 0 295.361 3.543 50 0 CHAARN CN1CCc2c(c3ccccc3n2CCc2ccccc2)C1 ZINC000075567410 570355931 /nfs/dbraw/zinc/35/59/31/570355931.db2.gz KPGWZRTZTASLIF-UHFFFAOYSA-N 0 0 290.410 3.872 50 0 CHAARN Cc1ccc2c(CC(=O)Oc3ccccc3)coc2c1 ZINC000016527198 570356431 /nfs/dbraw/zinc/35/64/31/570356431.db2.gz NCVDRUICCBIDPU-UHFFFAOYSA-N 0 0 266.296 3.889 50 0 CHAARN Cc1oc2cc3oc(=O)c4c(c3cc2c1C)CCC4 ZINC000000095218 570357272 /nfs/dbraw/zinc/35/72/72/570357272.db2.gz RMGKMCRYPIGTNK-UHFFFAOYSA-N 0 0 254.285 3.645 50 0 biogenic CHAARN C[S@](=O)c1ccc(NCc2ccc(Cl)cc2)cc1 ZINC000089493249 570357591 /nfs/dbraw/zinc/35/75/91/570357591.db2.gz MNDWSABMMXITOA-GOSISDBHSA-N 0 0 279.792 3.690 50 0 CHAARN CCn1cc(CC(=O)Nc2cccc(C)c2)c2cccnc21 ZINC000065155808 570360076 /nfs/dbraw/zinc/36/00/76/570360076.db2.gz DDZHIWQJDHXIFE-UHFFFAOYSA-N 0 0 293.370 3.546 50 0 CHAARN Cc1oc(C2CCC2)nc1C(=O)Nc1ccc(C)c(F)c1 ZINC000065293547 570361902 /nfs/dbraw/zinc/36/19/02/570361902.db2.gz YLHPYFQQDCNNSR-UHFFFAOYSA-N 0 0 288.322 3.950 50 0 CHAARN CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccsc1 ZINC000170618137 570363235 /nfs/dbraw/zinc/36/32/35/570363235.db2.gz RYAQZYYKJIGMKP-CYBMUJFWSA-N 0 0 276.386 3.507 50 0 CHAARN CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(Cl)c1 ZINC000170615171 570363249 /nfs/dbraw/zinc/36/32/49/570363249.db2.gz JAKKIHZDBWEEKS-AWEZNQCLSA-N 0 0 288.734 3.631 50 0 CHAARN CC[C@H](C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 ZINC000013958012 570364627 /nfs/dbraw/zinc/36/46/27/570364627.db2.gz VKTKPHRJSNJMIZ-ZDUSSCGKSA-N 0 0 279.343 3.695 50 0 CHAARN COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCCCC1 ZINC000089473556 570370666 /nfs/dbraw/zinc/37/06/66/570370666.db2.gz NXVTVCNJNZLOSF-HOTGVXAUSA-N 0 0 287.403 3.591 50 0 CHAARN CC(=O)N1CCCc2cc(NCc3cccc(F)c3)ccc21 ZINC000095428962 570371868 /nfs/dbraw/zinc/37/18/68/570371868.db2.gz FSXRBLDVWYZDQH-UHFFFAOYSA-N 0 0 298.361 3.737 50 0 CHAARN Cc1oc(-c2ccco2)nc1C[S@@](=O)CCCC(C)C ZINC000194626516 570376209 /nfs/dbraw/zinc/37/62/09/570376209.db2.gz UBZJEQPLUBTFBW-FQEVSTJZSA-N 0 0 295.404 3.928 50 0 CHAARN COc1ccnc(Nc2ccc(N3CCCCCC3)cc2)n1 ZINC000170652735 570376021 /nfs/dbraw/zinc/37/60/21/570376021.db2.gz QYUPEMJHENGRNH-UHFFFAOYSA-N 0 0 298.390 3.609 50 0 CHAARN Cc1nc(CN2CCC(=Cc3ccccc3)CC2)oc1C ZINC000098018758 570383143 /nfs/dbraw/zinc/38/31/43/570383143.db2.gz LWQVLFHQBPIWSX-UHFFFAOYSA-N 0 0 282.387 3.971 50 0 CHAARN Cc1nnc([C@@H](C)Sc2cccc3cccnc32)o1 ZINC000098019307 570383257 /nfs/dbraw/zinc/38/32/57/570383257.db2.gz GIFZXEUICYHIOO-SECBINFHSA-N 0 0 271.345 3.780 50 0 CHAARN CC(C)N(C(=O)c1ccoc1)[C@H]1CCCc2cccnc21 ZINC000253396502 570384922 /nfs/dbraw/zinc/38/49/22/570384922.db2.gz AMDOAHPXIZFEAE-HNNXBMFYSA-N 0 0 284.359 3.603 50 0 CHAARN Cc1cccc([C@H](NC(=O)Cc2ccccc2C)C2CC2)n1 ZINC000584895933 570385737 /nfs/dbraw/zinc/38/57/37/570385737.db2.gz WUZUMCTVYHDHBT-LJQANCHMSA-N 0 0 294.398 3.508 50 0 CHAARN CC(C)c1ccccc1N(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000253432456 570385890 /nfs/dbraw/zinc/38/58/90/570385890.db2.gz KKVZVEZTASROSM-FOLVSLTJSA-N 0 0 257.377 3.819 50 0 CHAARN CC[C@H]1c2ccsc2CCN1C(=O)[C@H]1CC=CCC1 ZINC000012977143 570390790 /nfs/dbraw/zinc/39/07/90/570390790.db2.gz GMMKBZJUQCOOMX-JSGCOSHPSA-N 0 0 275.417 3.940 50 0 CHAARN CC[C@H]1c2ccsc2CCN1C(=O)[C@@H]1CC=CCC1 ZINC000012977147 570390797 /nfs/dbraw/zinc/39/07/97/570390797.db2.gz GMMKBZJUQCOOMX-OCCSQVGLSA-N 0 0 275.417 3.940 50 0 CHAARN C[C@@H]1C[C@@H]1C(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000013008561 570391079 /nfs/dbraw/zinc/39/10/79/570391079.db2.gz MSQNGLNDSYJGFW-PVUWLOKVSA-N 0 0 297.423 3.878 50 0 CHAARN CCC1=N[C@@H](c2ccc(Br)cc2)N(O)C1(C)C ZINC000019607455 570396048 /nfs/dbraw/zinc/39/60/48/570396048.db2.gz SFRRKRUPUFUMEC-GFCCVEGCSA-N 0 0 297.196 3.782 50 0 CHAARN COCc1ccccc1NC(=O)Nc1cc(F)cc(F)c1 ZINC000079101302 570396546 /nfs/dbraw/zinc/39/65/46/570396546.db2.gz ZQTYBHPRNHFHMN-UHFFFAOYSA-N 0 0 292.285 3.755 50 0 CHAARN Cc1ccc(C(=O)Nc2cccc3c2CCN3C)c(C)c1 ZINC000079093874 570396596 /nfs/dbraw/zinc/39/65/96/570396596.db2.gz LWTHNFMQLLMWTR-UHFFFAOYSA-N 0 0 280.371 3.548 50 0 CHAARN Cc1ccccc1NC(=O)COc1ccc2c(c1)CCC2 ZINC000002621181 570396937 /nfs/dbraw/zinc/39/69/37/570396937.db2.gz CCEYHEQFDJQJCI-UHFFFAOYSA-N 0 0 281.355 3.501 50 0 CHAARN O=C(Nc1ccccc1O)c1ccccc1SC(F)F ZINC000028689786 570397985 /nfs/dbraw/zinc/39/79/85/570397985.db2.gz SRGJJDDZLIRVRW-UHFFFAOYSA-N 0 0 295.310 3.959 50 0 CHAARN CCCCn1ncnc1-c1ccc([C@@H]2CCCO2)s1 ZINC000670438605 570398675 /nfs/dbraw/zinc/39/86/75/570398675.db2.gz JPUNMANOBCHPCX-NSHDSACASA-N 0 0 277.393 3.658 50 0 CHAARN O=C(Nc1nccs1)C1(c2ccc(Cl)cc2)CCC1 ZINC000003437564 570399446 /nfs/dbraw/zinc/39/94/46/570399446.db2.gz OYENASZJFXYFCZ-UHFFFAOYSA-N 0 0 292.791 3.857 50 0 CHAARN CC(C)c1nc(CN2CCCN(c3ccccc3)CC2)co1 ZINC000670450962 570400312 /nfs/dbraw/zinc/40/03/12/570400312.db2.gz JPVSWPFGZFVQDW-UHFFFAOYSA-N 0 0 299.418 3.510 50 0 CHAARN C[C@@H]1CC[C@H]2[C@H](CCCN2C(=O)c2c[nH]c3ncccc23)C1 ZINC000068212545 570400843 /nfs/dbraw/zinc/40/08/43/570400843.db2.gz CSSMDQOTFMBVBH-IOASZLSFSA-N 0 0 297.402 3.604 50 0 CHAARN 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0 281.355 3.586 50 0 CHAARN Cc1nc(-c2ccccc2)sc1Br ZINC000000159077 169558020 /nfs/dbraw/zinc/55/80/20/169558020.db2.gz XNYKJKJMPCGEQI-UHFFFAOYSA-N 0 0 254.152 3.881 50 0 CHAARN Cc1nc(-c2ccc(NC(=O)c3cccnc3)cc2)cs1 ZINC000000169475 169562032 /nfs/dbraw/zinc/56/20/32/169562032.db2.gz JHJFJQCALHTNTR-UHFFFAOYSA-N 0 0 295.367 3.766 50 0 CHAARN Cc1cccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)c1 ZINC000000176751 169564828 /nfs/dbraw/zinc/56/48/28/169564828.db2.gz LRZBOLCPJKRFEC-XNTDXEJSSA-N 0 0 297.741 3.993 50 0 CHAARN CCOc1ccc(C2N=NC(=S)N2c2ccccc2)cc1 ZINC000000181565 169566379 /nfs/dbraw/zinc/56/63/79/169566379.db2.gz GOPNKHVJOUIIHF-UHFFFAOYSA-N 0 0 297.383 3.622 50 0 CHAARN Fc1ccc(-c2ncnn2-c2ccc(Cl)cc2)cc1 ZINC000000180813 169566005 /nfs/dbraw/zinc/56/60/05/169566005.db2.gz LELIAOHHSCXYDW-UHFFFAOYSA-N 0 0 273.698 3.727 50 0 CHAARN COc1cccc(C(=O)Oc2cccc3ccc(C)nc32)c1 ZINC000000196440 169571090 /nfs/dbraw/zinc/57/10/90/169571090.db2.gz FOMCZDMGMFDPKQ-UHFFFAOYSA-N 0 0 293.322 3.771 50 0 CHAARN Cc1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)nc1 ZINC000000202307 169572953 /nfs/dbraw/zinc/57/29/53/169572953.db2.gz MXQOUXZQAKJDCN-UHFFFAOYSA-N 0 0 299.355 3.668 50 0 CHAARN Cc1ccc(C)c(CSc2nc3nc(C)cc(C)n3n2)c1 ZINC000000217117 169578409 /nfs/dbraw/zinc/57/84/09/169578409.db2.gz ZFNYAEGHLMFZPZ-UHFFFAOYSA-N 0 0 298.415 3.650 50 0 CHAARN Cc1ccc2[nH]c3c(c2c1)CC[C@H]1C3=NN[C@@H]1c1ccco1 ZINC000000211661 169576437 /nfs/dbraw/zinc/57/64/37/169576437.db2.gz LPRZUORTNAVOLN-WBMJQRKESA-N 0 0 291.354 3.680 50 0 CHAARN CC[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1 ZINC000000234722 169581914 /nfs/dbraw/zinc/58/19/14/169581914.db2.gz SYULUGXEZUGLET-JKGDOXCYSA-N 0 0 279.383 3.837 50 0 biogenic CHAARN COc1ccc(C(=O)c2c(C)oc3ccc(OC)cc32)cc1 ZINC000000236220 169582534 /nfs/dbraw/zinc/58/25/34/169582534.db2.gz QYUQJMDSMADXMO-UHFFFAOYSA-N 0 0 296.322 3.989 50 0 CHAARN COc1ccc(OC)c(CNc2cc(C)ccc2C)c1 ZINC000000263182 169590957 /nfs/dbraw/zinc/59/09/57/169590957.db2.gz MPTXEKRQSMIRDM-UHFFFAOYSA-N 0 0 271.360 3.933 50 0 CHAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CCCC1 ZINC000000281542 169596283 /nfs/dbraw/zinc/59/62/83/169596283.db2.gz STVFFSVNTBCZKM-SNVBAGLBSA-N 0 0 283.824 3.879 50 0 CHAARN CC(C)n1c2ccccc2nc1[C@H](O)c1ccccc1 ZINC000000305315 169603177 /nfs/dbraw/zinc/60/31/77/169603177.db2.gz CCGMKVCKAXTOGX-MRXNPFEDSA-N 0 0 266.344 3.699 50 0 CHAARN CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000000308442 169604248 /nfs/dbraw/zinc/60/42/48/169604248.db2.gz ZRCKNYKGAZSHSY-UHFFFAOYSA-N 0 0 251.635 3.707 50 0 CHAARN Cc1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000312751 169605347 /nfs/dbraw/zinc/60/53/47/169605347.db2.gz ANIXUBVYWGMOHE-UHFFFAOYSA-N 0 0 283.278 3.785 50 0 CHAARN Cc1cc(C)cc(OC(=O)c2ccc(Br)o2)c1 ZINC000000317632 169606919 /nfs/dbraw/zinc/60/69/19/169606919.db2.gz UNGLBQUVVVOICW-UHFFFAOYSA-N 0 0 295.132 3.878 50 0 CHAARN COc1ccc(NC(=O)CC2CCCCC2)cc1OC ZINC000000317070 169607004 /nfs/dbraw/zinc/60/70/04/169607004.db2.gz UXDUMXDRYYYETD-UHFFFAOYSA-N 0 0 277.364 3.613 50 0 CHAARN COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2)cc1 ZINC000000315287 169606025 /nfs/dbraw/zinc/60/60/25/169606025.db2.gz ADALIOAZKIMNBX-NYYWCZLTSA-N 0 0 288.730 3.967 50 0 CHAARN O=C1N[C@H](c2ccc(Cl)cc2Cl)Oc2ccccc21 ZINC000000324241 169608402 /nfs/dbraw/zinc/60/84/02/169608402.db2.gz GBUZCVHBZZUJAZ-AWEZNQCLSA-N 0 0 294.137 3.814 50 0 CHAARN Cc1ccc(C(=O)Nc2cc(C)c(C)cc2O)cc1 ZINC000000330810 169608924 /nfs/dbraw/zinc/60/89/24/169608924.db2.gz OHPGUYWNBZDXQM-UHFFFAOYSA-N 0 0 255.317 3.570 50 0 CHAARN Cc1nc2ccccc2cc1C(=O)Nc1ccc(F)cc1 ZINC000000353068 169614961 /nfs/dbraw/zinc/61/49/61/169614961.db2.gz LNBCTRWALSRDER-UHFFFAOYSA-N 0 0 280.302 3.935 50 0 CHAARN Cc1ccc(C)c(OCC(=O)Oc2ccc(Cl)cc2)c1 ZINC000000358998 169616634 /nfs/dbraw/zinc/61/66/34/169616634.db2.gz DYNJWEIFEFMUFA-UHFFFAOYSA-N 0 0 290.746 3.941 50 0 CHAARN O=C(NCCC1=CCCCC1)c1cccc(Cl)c1 ZINC000000362346 169617418 /nfs/dbraw/zinc/61/74/18/169617418.db2.gz VVUPBMCWHQEDTK-UHFFFAOYSA-N 0 0 263.768 3.960 50 0 CHAARN COc1ccccc1C(=O)Nc1ccc(C)c(C)c1 ZINC000000362103 169617448 /nfs/dbraw/zinc/61/74/48/169617448.db2.gz CENWKDRFRAVJKF-UHFFFAOYSA-N 0 0 255.317 3.564 50 0 CHAARN CC[C@@H](C(=O)Nc1ccc(C)c(O)c1)c1ccccc1 ZINC000000365447 169619488 /nfs/dbraw/zinc/61/94/88/169619488.db2.gz PYDNFXCEWDUZDQ-OAHLLOKOSA-N 0 0 269.344 3.833 50 0 CHAARN C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1cccs1 ZINC000000376383 169622618 /nfs/dbraw/zinc/62/26/18/169622618.db2.gz UFYPQMSYIGRYNO-GETOMWPZSA-N 0 0 285.412 3.899 50 0 CHAARN Cc1ccc2c(c1)[C@H](N1CCCC1=O)C[C@@H](c1ccco1)N2 ZINC000000377056 169622975 /nfs/dbraw/zinc/62/29/75/169622975.db2.gz NTSCNXBLLONPBI-JKSUJKDBSA-N 0 0 296.370 3.808 50 0 CHAARN CCC(=O)Nc1nc2cc(Cl)c(C)cc2s1 ZINC000000386319 169625969 /nfs/dbraw/zinc/62/59/69/169625969.db2.gz OARVWIXCJKNFHW-UHFFFAOYSA-N 0 0 254.742 3.607 50 0 CHAARN O=C(NCC1CCCCC1)c1ccccc1Cl ZINC000000395820 169629353 /nfs/dbraw/zinc/62/93/53/169629353.db2.gz OYNLUCXLDVHIND-UHFFFAOYSA-N 0 0 251.757 3.650 50 0 CHAARN CCN(Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000000396365 169629557 /nfs/dbraw/zinc/62/95/57/169629557.db2.gz SBNLPMZMXJQOMF-UHFFFAOYSA-N 0 0 254.333 3.741 50 0 CHAARN O=C(Nc1cc(Cl)ccc1Cl)Oc1cccnc1 ZINC000000395363 169628866 /nfs/dbraw/zinc/62/88/66/169628866.db2.gz NMLCGIMNGWRECL-UHFFFAOYSA-N 0 0 283.114 3.999 50 0 CHAARN COc1ccc(NC(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000000406464 169632318 /nfs/dbraw/zinc/63/23/18/169632318.db2.gz QVQYHFUJUBQLKY-AWEZNQCLSA-N 0 0 298.386 3.838 50 0 CHAARN Cn1c(SCc2ccc(Cl)cc2)nnc1C1CC1 ZINC000000410384 169633859 /nfs/dbraw/zinc/63/38/59/169633859.db2.gz UVOYTQLUYZODNK-UHFFFAOYSA-N 0 0 279.796 3.638 50 0 CHAARN COc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000000447782 169643249 /nfs/dbraw/zinc/64/32/49/169643249.db2.gz GGCOTMGRZKHKHE-UHFFFAOYSA-N 0 0 299.370 3.982 50 0 CHAARN O=C(Nc1ccc(F)c(F)c1)[C@H]1C[C@H]1c1ccccc1 ZINC000000441608 169641504 /nfs/dbraw/zinc/64/15/04/169641504.db2.gz ICQOAWOCSOHASF-STQMWFEESA-N 0 0 273.282 3.707 50 0 CHAARN Cc1ccccc1CNC(=O)CSCc1ccccc1C ZINC000000454401 169644833 /nfs/dbraw/zinc/64/48/33/169644833.db2.gz USYQTGSRTFMAQB-UHFFFAOYSA-N 0 0 299.439 3.853 50 0 CHAARN COc1cccc(C=O)c1OCc1ccc(Cl)cc1 ZINC000000463625 169647656 /nfs/dbraw/zinc/64/76/56/169647656.db2.gz IORIHJOYBMWTAZ-UHFFFAOYSA-N 0 0 276.719 3.740 50 0 CHAARN CCC(=O)Oc1cccc(C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000000470582 169649122 /nfs/dbraw/zinc/64/91/22/169649122.db2.gz YOBDOWIIBVQNJJ-UHFFFAOYSA-N 0 0 297.354 3.871 50 0 CHAARN Cc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)c(C)c1C ZINC000000474655 169650495 /nfs/dbraw/zinc/65/04/95/169650495.db2.gz XWNYEZAFWQJENH-CHWSQXEVSA-N 0 0 295.448 3.563 50 0 CHAARN COc1ccc(-c2nc3ccccc3o2)cc1OC ZINC000004030542 184529780 /nfs/dbraw/zinc/52/97/80/184529780.db2.gz WMXBQSRSJSTSOW-UHFFFAOYSA-N 0 0 255.273 3.512 50 0 CHAARN Cc1ccc(F)cc1NC(=O)c1c[nH]c2ccccc12 ZINC000024767366 184536780 /nfs/dbraw/zinc/53/67/80/184536780.db2.gz WLWPACDCSBFVNV-UHFFFAOYSA-N 0 0 268.291 3.868 50 0 CHAARN COc1ccc(C(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000000483016 169653000 /nfs/dbraw/zinc/65/30/00/169653000.db2.gz FIXSZXAIRUDDOB-UHFFFAOYSA-N 0 0 291.734 3.610 50 0 CHAARN Nc1cnccc1Sc1cccc(C(F)(F)F)c1 ZINC000000481372 169652702 /nfs/dbraw/zinc/65/27/02/169652702.db2.gz BWEDDESFVSFJRW-UHFFFAOYSA-N 0 0 270.279 3.834 50 0 CHAARN C[C@]12CC=C3c4ccc(O)cc4CC[C@H]3[C@H]1CCC2=O ZINC000071772613 184576097 /nfs/dbraw/zinc/57/60/97/184576097.db2.gz SONVSJYKHAWLHA-NUJGCVRESA-N 0 0 268.356 3.727 50 0 CHAARN O=C(Nc1cc(F)cc(F)c1)Nc1ccc(F)cc1F ZINC000051354093 184565621 /nfs/dbraw/zinc/56/56/21/184565621.db2.gz MHBFAZYDILVAKI-UHFFFAOYSA-N 0 0 284.212 3.887 50 0 CHAARN CC1=C[C@@H](C)C2(COC(c3ccco3)OC2)[C@@H](C)C1 ZINC000000517867 169660561 /nfs/dbraw/zinc/66/05/61/169660561.db2.gz HDOZYLVTCNXYDZ-SQHUISNBSA-N 0 0 262.349 3.934 50 0 biogenic CHAARN CC[C@@](C)(NC(=O)CC1=CCCCC1)c1nccs1 ZINC000096416605 256764451 /nfs/dbraw/zinc/76/44/51/256764451.db2.gz CEGCVOVZUTVESX-OAHLLOKOSA-N 0 0 278.421 3.775 50 0 CHAARN CC/C=C(\C)C(=O)N[C@@H](c1ncccc1C)C(C)C ZINC000096406296 256781746 /nfs/dbraw/zinc/78/17/46/256781746.db2.gz ZRHLWHNYHJIVHC-MAUPQMMJSA-N 0 0 260.381 3.560 50 0 CHAARN CC(=O)Nc1ccc(F)c(NC(=O)CC2CCCCC2)c1 ZINC000032754253 256797571 /nfs/dbraw/zinc/79/75/71/256797571.db2.gz BHLGLWBFWXWQJF-UHFFFAOYSA-N 0 0 292.354 3.693 50 0 CHAARN CC(C)(CO)[C@@H]1O[C@@H]2CCCC[C@@H]2[C@@H]2C=CCC[C@@H]12 ZINC000012655020 256843225 /nfs/dbraw/zinc/84/32/25/256843225.db2.gz UUJKDBXPGVPHKQ-UYJHQMFVSA-N 0 0 264.409 3.545 50 0 biogenic CHAARN CCOc1ccccc1NC(=O)COc1cc(C)ccc1C ZINC000000859150 169681169 /nfs/dbraw/zinc/68/11/69/169681169.db2.gz UUQLNPZYHLHANU-UHFFFAOYSA-N 0 0 299.370 3.720 50 0 CHAARN CCSc1nnc(-c2cccc(Cl)c2)n1CC ZINC000000574233 169671494 /nfs/dbraw/zinc/67/14/94/169671494.db2.gz FVEGHVZPQJMYMY-UHFFFAOYSA-N 0 0 267.785 3.730 50 0 CHAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)NC1CCCCCC1 ZINC000000579737 169672423 /nfs/dbraw/zinc/67/24/23/169672423.db2.gz GFWUGTLTVKTZJA-GFCCVEGCSA-N 0 0 295.810 3.946 50 0 CHAARN COc1ccc(NC(=O)Nc2ccc(F)cc2F)c(C)c1 ZINC000000612261 169674653 /nfs/dbraw/zinc/67/46/53/169674653.db2.gz TVKLLDDVGJAVAH-UHFFFAOYSA-N 0 0 292.285 3.926 50 0 CHAARN Fc1cccc(NC(=S)Nc2ccccc2F)c1 ZINC000000619830 169677030 /nfs/dbraw/zinc/67/70/30/169677030.db2.gz IKPUMJKRWDNBEG-UHFFFAOYSA-N 0 0 264.300 3.774 50 0 CHAARN Cc1cc(C)cc(-c2nnc3sc(-c4ccco4)nn32)c1 ZINC000001018233 169685990 /nfs/dbraw/zinc/68/59/90/169685990.db2.gz HIKXRLRLEHAAOI-UHFFFAOYSA-N 0 0 296.355 3.730 50 0 CHAARN CC(=O)Oc1ccc(-c2nc3cc(C)ccc3o2)cc1 ZINC000001208449 169691811 /nfs/dbraw/zinc/69/18/11/169691811.db2.gz XIOHXVUQKRYEAC-UHFFFAOYSA-N 0 0 267.284 3.729 50 0 CHAARN CCOC(=O)c1ccc(NCc2cccs2)cc1 ZINC000000873867 169681710 /nfs/dbraw/zinc/68/17/10/169681710.db2.gz WZMJZHDDJVTZRL-UHFFFAOYSA-N 0 0 261.346 3.537 50 0 CHAARN Fc1ccc(OC(F)(F)Cl)cc1Br ZINC000095215521 184947000 /nfs/dbraw/zinc/94/70/00/184947000.db2.gz CFFWYMNSOBOUDB-UHFFFAOYSA-N 0 0 275.451 3.756 50 0 CHAARN CC(C)(NC(=O)OCc1ccccc1)c1ccc(F)cc1 ZINC000095217953 184947454 /nfs/dbraw/zinc/94/74/54/184947454.db2.gz 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C/C(=C1\N=C(c2ccccc2)OC1=O)c1cccc(C)c1 ZINC000137256539 566844185 /nfs/dbraw/zinc/84/41/85/566844185.db2.gz JNDGJFPVYQNXTF-DTQAZKPQSA-N 0 0 277.323 3.730 50 0 CHAARN O=Cc1ccc(OCc2cc(F)cc3cccnc32)cc1 ZINC000031606589 566844229 /nfs/dbraw/zinc/84/42/29/566844229.db2.gz RKZPOJCFOSTVHT-UHFFFAOYSA-N 0 0 281.286 3.765 50 0 CHAARN Cc1ccc(CNC(=O)c2c(F)cccc2Cl)cc1 ZINC000003340406 566849091 /nfs/dbraw/zinc/84/90/91/566849091.db2.gz FZDNODULUVNGDC-UHFFFAOYSA-N 0 0 277.726 3.718 50 0 CHAARN Fc1cccc(Cl)c1CSc1nnc2ccccn21 ZINC000003505611 566851882 /nfs/dbraw/zinc/85/18/82/566851882.db2.gz GUDZEAGDEUWWJC-UHFFFAOYSA-N 0 0 293.754 3.814 50 0 CHAARN CC(C)C1=NO[C@@H](c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000019146248 566852299 /nfs/dbraw/zinc/85/22/99/566852299.db2.gz VBESPLKHOZTUQE-GFCCVEGCSA-N 0 0 291.738 3.863 50 0 CHAARN CC1=C[C@H](C)[C@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C ZINC000004027117 566856559 /nfs/dbraw/zinc/85/65/59/566856559.db2.gz VRAQFSFGVZLHAG-HZMVBMFHSA-N 0 0 286.371 3.951 50 0 biogenic CHAARN FC(F)Sc1nccc(/C=C/c2ccccc2)n1 ZINC000004084937 566858027 /nfs/dbraw/zinc/85/80/27/566858027.db2.gz XHMUUEVENIXHEJ-VOTSOKGWSA-N 0 0 264.300 3.962 50 0 CHAARN O=C1CCCCCCCCCC[C@H](O)CCCO1 ZINC000004082261 566858080 /nfs/dbraw/zinc/85/80/80/566858080.db2.gz FDGKLOJAQCXSKC-AWEZNQCLSA-N 0 0 256.386 3.585 50 0 biogenic CHAARN COc1cccc2cc(CNCc3ccc(C)o3)oc21 ZINC000053036488 566869423 /nfs/dbraw/zinc/86/94/23/566869423.db2.gz FGCIAWVGJLXHBV-UHFFFAOYSA-N 0 0 271.316 3.633 50 0 CHAARN Cc1cc2c(cc1CCc1cc3c(cc1C)OCO3)OCO2 ZINC000001403567 566871697 /nfs/dbraw/zinc/87/16/97/566871697.db2.gz IMWZPPZOYCZESW-UHFFFAOYSA-N 0 0 298.338 3.546 50 0 CHAARN O=S1(=O)CC[C@H](Sc2ccccc2)c2ccsc21 ZINC000001398494 566871838 /nfs/dbraw/zinc/87/18/38/566871838.db2.gz WBOPFGHZQCCSSV-LBPRGKRZSA-N 0 0 296.438 3.759 50 0 CHAARN Cc1ccc(-n2c(=O)c3sccc3[nH]c2=S)cc1C ZINC000100020595 566877466 /nfs/dbraw/zinc/87/74/66/566877466.db2.gz ZBXZYKCIJMJLKI-UHFFFAOYSA-N 0 0 288.397 3.727 50 0 CHAARN Cc1cc([C@@H](C)NC(=O)N(C)[C@H](C)C2CC2)c(C)s1 ZINC000084081824 566878560 /nfs/dbraw/zinc/87/85/60/566878560.db2.gz XGKXEZOEELQYMO-GHMZBOCLSA-N 0 0 280.437 3.866 50 0 CHAARN Cc1ccc(C)c(-n2c(=O)c3sccc3[nH]c2=S)c1 ZINC000101349853 566878571 /nfs/dbraw/zinc/87/85/71/566878571.db2.gz FKQZHANFTHKJLJ-UHFFFAOYSA-N 0 0 288.397 3.727 50 0 CHAARN Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)NC2CC2)cc1 ZINC000084148725 566880192 /nfs/dbraw/zinc/88/01/92/566880192.db2.gz UTWKJICKIWLHKW-CZUORRHYSA-N 0 0 272.392 3.640 50 0 CHAARN OCc1ccc(Cl)c(NCc2cnc(Cl)s2)c1 ZINC000084341333 566882655 /nfs/dbraw/zinc/88/26/55/566882655.db2.gz WUKDFIVBCNRAIK-UHFFFAOYSA-N 0 0 289.187 3.554 50 0 CHAARN CC(C)[C@@H](C)CC(=O)N(C)[C@H](C)c1cccc(O)c1 ZINC000084409797 566882724 /nfs/dbraw/zinc/88/27/24/566882724.db2.gz IIYWBTYKMAHLRR-QWHCGFSZSA-N 0 0 263.381 3.594 50 0 CHAARN C[C@H](Cc1ccc(O)cc1)N(C)c1nc2ccccc2o1 ZINC000084640708 566884573 /nfs/dbraw/zinc/88/45/73/566884573.db2.gz IGHSHZMNIUTPFW-GFCCVEGCSA-N 0 0 282.343 3.601 50 0 CHAARN COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cn1 ZINC000015617238 566885025 /nfs/dbraw/zinc/88/50/25/566885025.db2.gz SACDTVOYPXSAJM-UHFFFAOYSA-N 0 0 297.141 3.649 50 0 CHAARN C[C@H](NC(=O)[C@H](C)n1cccc1)c1ccc2c(c1)CCCC2 ZINC000084651747 566885161 /nfs/dbraw/zinc/88/51/61/566885161.db2.gz HXJOEFGEJXEJBG-GJZGRUSLSA-N 0 0 296.414 3.805 50 0 CHAARN COc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1C ZINC000015605769 566885257 /nfs/dbraw/zinc/88/52/57/566885257.db2.gz BRQBUFSTRHMJGT-UHFFFAOYSA-N 0 0 281.355 3.745 50 0 CHAARN CC(C)COc1ccc(CC(=O)Nc2ccccc2O)cc1 ZINC000084544454 566885268 /nfs/dbraw/zinc/88/52/68/566885268.db2.gz DAHZRTWBRAWPRB-UHFFFAOYSA-N 0 0 299.370 3.608 50 0 CHAARN C[C@H](CNC(=O)[C@H]1C[C@H]1C)c1c(Cl)cccc1Cl ZINC000084686719 566885629 /nfs/dbraw/zinc/88/56/29/566885629.db2.gz BSUAPJCFMNZSGE-BBBLOLIVSA-N 0 0 286.202 3.869 50 0 CHAARN CC(=O)c1ccc(OCc2nc3ccccc3nc2C)cc1 ZINC000012774417 566886175 /nfs/dbraw/zinc/88/61/75/566886175.db2.gz VERZDYGETULPPY-UHFFFAOYSA-N 0 0 292.338 3.720 50 0 CHAARN C[C@H](CNC(=O)[C@@H]1C[C@@H]1C)c1c(Cl)cccc1Cl ZINC000084686725 566886594 /nfs/dbraw/zinc/88/65/94/566886594.db2.gz BSUAPJCFMNZSGE-IVZWLZJFSA-N 0 0 286.202 3.869 50 0 CHAARN COc1ncc(-c2ccccc2F)cc1C(F)(F)F ZINC000047206344 566889759 /nfs/dbraw/zinc/88/97/59/566889759.db2.gz VDDDJJNTGIWYJI-UHFFFAOYSA-N 0 0 271.213 3.915 50 0 CHAARN CCOC(=O)C(C)(C)Oc1ccc(C(C)C)cc1 ZINC000001459794 566892581 /nfs/dbraw/zinc/89/25/81/566892581.db2.gz RQHOYOULIBHLIM-UHFFFAOYSA-N 0 0 250.338 3.531 50 0 CHAARN CCOC(=O)C(C)(C)Oc1ccccc1C(C)C ZINC000001459999 566892754 /nfs/dbraw/zinc/89/27/54/566892754.db2.gz XTQJRXGLPKEGGJ-UHFFFAOYSA-N 0 0 250.338 3.531 50 0 CHAARN Cc1c2ccccc2oc1C(=O)N1CCC[C@@H](C)C1 ZINC000000462013 566904433 /nfs/dbraw/zinc/90/44/33/566904433.db2.gz IUYWMKLVSKRXFD-LLVKDONJSA-N 0 0 257.333 3.613 50 0 CHAARN COc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 ZINC000003548128 566907204 /nfs/dbraw/zinc/90/72/04/566907204.db2.gz VQHGXDDVDPQUQR-UHFFFAOYSA-N 0 0 291.734 3.610 50 0 CHAARN CCN(Cc1ccccc1)C(=S)Nc1ccccc1 ZINC000000401724 566910234 /nfs/dbraw/zinc/91/02/34/566910234.db2.gz CIQFTOMAXKXLJP-UHFFFAOYSA-N 0 0 270.401 3.906 50 0 CHAARN CCCCN(C)C(=O)Nc1c(C)cccc1Cl ZINC000002171842 566915432 /nfs/dbraw/zinc/91/54/32/566915432.db2.gz GSYGMEZHTZOJKX-UHFFFAOYSA-N 0 0 254.761 3.912 50 0 CHAARN COc1ccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)cc1 ZINC000012871180 566919766 /nfs/dbraw/zinc/91/97/66/566919766.db2.gz JOOPYMOUDFLCNF-INIZCTEOSA-N 0 0 299.395 3.659 50 0 CHAARN O=C(c1c(F)cccc1F)N1CCC[C@H]1c1ccco1 ZINC000015835951 566919828 /nfs/dbraw/zinc/91/98/28/566919828.db2.gz JENMGTSYQVPUQD-LBPRGKRZSA-N 0 0 277.270 3.535 50 0 CHAARN C[C@@]12CCC[C@]13CC[C@@H](O[C@H]1CCCCO1)[C@@]3(C)C(=O)C2 ZINC000253591676 566923425 /nfs/dbraw/zinc/92/34/25/566923425.db2.gz SSIYISSRFZYJJI-ICUGJSFKSA-N 0 0 292.419 3.848 50 0 CHAARN C[C@H]1C[C@@H]1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000012919585 566927231 /nfs/dbraw/zinc/92/72/31/566927231.db2.gz CXKDGIHQXYZRLQ-SJCJKPOMSA-N 0 0 299.345 3.999 50 0 CHAARN O=C(NCC1CCCCC1)[C@H]1CCCc2ccccc21 ZINC000012905901 566927448 /nfs/dbraw/zinc/92/74/48/566927448.db2.gz FHSXJCIHXSBTCF-KRWDZBQOSA-N 0 0 271.404 3.803 50 0 CHAARN CC(=O)Nc1ccc(C(=O)Nc2cccc(C)c2C)s1 ZINC000012908058 566927524 /nfs/dbraw/zinc/92/75/24/566927524.db2.gz INKZVOXZGWBUSI-UHFFFAOYSA-N 0 0 288.372 3.576 50 0 CHAARN CCOc1cc2c(cc1NC(=O)CC(C)(C)C)O[C@@H](C)C2 ZINC000012910017 566927882 /nfs/dbraw/zinc/92/78/82/566927882.db2.gz JPYBCZXYKCGTDJ-NSHDSACASA-N 0 0 291.391 3.783 50 0 CHAARN C[C@@H](NC(=O)c1ccsc1)c1ccc(OC(F)F)cc1 ZINC000012927843 566930189 /nfs/dbraw/zinc/93/01/89/566930189.db2.gz MAOFEXZPBHBIOK-SECBINFHSA-N 0 0 297.326 3.841 50 0 CHAARN Cc1cc(N2C[C@H](C)O[C@@H](C)C2)nc2cc(Cl)ccc12 ZINC000023634048 566930333 /nfs/dbraw/zinc/93/03/33/566930333.db2.gz UFTLNSZNMDEGGD-RYUDHWBXSA-N 0 0 290.794 3.810 50 0 CHAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)C[C@@]43C)[C@H]1CC[C@@H]2O ZINC000015952111 566930614 /nfs/dbraw/zinc/93/06/14/566930614.db2.gz ZRIOQYDHRPOBLF-XAWSPDEZSA-N 0 0 276.420 3.569 50 0 CHAARN Cc1cc(-c2csc(N(C)C)n2)c(C)n1C1CC1 ZINC000012927840 566931030 /nfs/dbraw/zinc/93/10/30/566931030.db2.gz ROFGSUCCGPGUAK-UHFFFAOYSA-N 0 0 261.394 3.629 50 0 CHAARN CSCc1cc(F)ccc1CNCc1csc(C)n1 ZINC000088751571 566934651 /nfs/dbraw/zinc/93/46/51/566934651.db2.gz BSYFMNOVJMUYNP-UHFFFAOYSA-N 0 0 296.436 3.743 50 0 CHAARN Cc1ccc2cccc(OCc3nnc(C(C)(C)C)o3)c2n1 ZINC000075092377 566936199 /nfs/dbraw/zinc/93/61/99/566936199.db2.gz DTUFEJCSRLPGDJ-UHFFFAOYSA-N 0 0 297.358 3.803 50 0 CHAARN CCCCNc1ccc(C(=O)NCC(C)C)c(Cl)c1 ZINC000075103428 566936644 /nfs/dbraw/zinc/93/66/44/566936644.db2.gz QZJGYBMBLYRVCL-UHFFFAOYSA-N 0 0 282.815 3.938 50 0 CHAARN O=C1CCC2(SCCS2)c2[nH]c3ccccc3c21 ZINC000075153254 566937583 /nfs/dbraw/zinc/93/75/83/566937583.db2.gz KOQVBNZSUHWNMY-UHFFFAOYSA-N 0 0 275.398 3.777 50 0 CHAARN Cc1cc(=O)oc2cc3c(cc12)[C@@H](C)CC(C)(C)N3C ZINC000575473315 566937847 /nfs/dbraw/zinc/93/78/47/566937847.db2.gz YGQAIRFSRWLHLF-NSHDSACASA-N 0 0 271.360 3.823 50 0 CHAARN c1ccc(COc2nsnc2-c2ccccc2)cc1 ZINC000075272596 566940293 /nfs/dbraw/zinc/94/02/93/566940293.db2.gz KXMOVMXKRVYICE-UHFFFAOYSA-N 0 0 268.341 3.784 50 0 CHAARN C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2nnsc2Cl)o1 ZINC000053426519 566941957 /nfs/dbraw/zinc/94/19/57/566941957.db2.gz SBMVWOYKJXBCSA-PSASIEDQSA-N 0 0 297.811 3.540 50 0 CHAARN C[C@@H]1S[C@@H](c2ccccc2)N(c2ccccc2)C1=O ZINC000001560291 566942172 /nfs/dbraw/zinc/94/21/72/566942172.db2.gz HMZGRFPANBVBFF-LRDDRELGSA-N 0 0 269.369 3.854 50 0 CHAARN Cc1oncc1CNC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000575606283 566944113 /nfs/dbraw/zinc/94/41/13/566944113.db2.gz UHKBABVMNCVWFS-UHFFFAOYSA-N 0 0 287.363 3.602 50 0 CHAARN Cc1ccc([C@@H](C)N[C@H](CO)c2ccc(Cl)cc2)o1 ZINC000089210638 566944197 /nfs/dbraw/zinc/94/41/97/566944197.db2.gz WJHLALOATKLEGC-BXUZGUMPSA-N 0 0 279.767 3.626 50 0 CHAARN O=C1CCC2=C(CCCC2)N1CCc1ccccc1 ZINC000000399764 566945756 /nfs/dbraw/zinc/94/57/56/566945756.db2.gz PPJFKOSAPHLUJA-UHFFFAOYSA-N 0 0 255.361 3.680 50 0 CHAARN CCN(C(=O)c1csc2ccccc12)c1ccncc1 ZINC000117664464 566946114 /nfs/dbraw/zinc/94/61/14/566946114.db2.gz AQKFOLNGGDQASC-UHFFFAOYSA-N 0 0 282.368 3.963 50 0 CHAARN CC(=O)c1cccc(NC(=O)[C@@H]2[C@@H]3C=CCCCC[C@@H]32)c1 ZINC000169620817 566948201 /nfs/dbraw/zinc/94/82/01/566948201.db2.gz JGHLKYZOSXUQGC-IXDOHACOSA-N 0 0 283.371 3.820 50 0 CHAARN CO[C@@H]1CCC[C@@H]1OC(=O)[C@H](C)CC1CCCCC1 ZINC000225422757 566950896 /nfs/dbraw/zinc/95/08/96/566950896.db2.gz NGHASNSBVBDLFC-YUELXQCFSA-N 0 0 268.397 3.704 50 0 CHAARN COC(=O)c1ccc(CSc2ncccc2Cl)cc1 ZINC000012971764 566952210 /nfs/dbraw/zinc/95/22/10/566952210.db2.gz NSFANAYSISHXOQ-UHFFFAOYSA-N 0 0 293.775 3.814 50 0 CHAARN CCC(C)(C)NC(=O)/C=C/c1ccc(F)c(Cl)c1 ZINC000035903700 566954589 /nfs/dbraw/zinc/95/45/89/566954589.db2.gz ACPVVIHYENDTPQ-SOFGYWHQSA-N 0 0 269.747 3.797 50 0 CHAARN S=C(c1ccc(Cl)cc1)N1CCCCCC1 ZINC000000999737 566956789 /nfs/dbraw/zinc/95/67/89/566956789.db2.gz DEVPEOPUYDLOEF-UHFFFAOYSA-N 0 0 253.798 3.892 50 0 CHAARN CC(C)C[C@@H](NC(=O)c1ccoc1)c1ccccc1 ZINC000012998507 566956849 /nfs/dbraw/zinc/95/68/49/566956849.db2.gz PYPYYCIRLXBKTJ-OAHLLOKOSA-N 0 0 257.333 3.797 50 0 CHAARN CC1=C[C@H](C)[C@H]2CO[C@@H](c3ccc(O)cc3)[C@@H]1[C@@H]2C ZINC000135820168 566957626 /nfs/dbraw/zinc/95/76/26/566957626.db2.gz UVEZFZYRAYSXIF-OZMLEBDFSA-N 0 0 258.361 3.928 50 0 biogenic CHAARN Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)sc1C ZINC000096413257 566957708 /nfs/dbraw/zinc/95/77/08/566957708.db2.gz FCIUFWCUTNKALE-UHFFFAOYSA-N 0 0 270.398 3.520 50 0 CHAARN CCCC1(CCC)NC(=S)N(c2ccc(Cl)cc2)N1 ZINC000001808126 566963671 /nfs/dbraw/zinc/96/36/71/566963671.db2.gz CKCBXTCEVYECNG-UHFFFAOYSA-N 0 0 297.855 3.836 50 0 CHAARN C[C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)c2c[nH]c3ncccc23)C1 ZINC000064318813 566964580 /nfs/dbraw/zinc/96/45/80/566964580.db2.gz CSSMDQOTFMBVBH-XJKCOSOUSA-N 0 0 297.402 3.604 50 0 CHAARN O=C(Nc1nccs1)c1ccc(Cl)c(Cl)c1 ZINC000000401802 566964841 /nfs/dbraw/zinc/96/48/41/566964841.db2.gz ACVZTCINHFMPQD-UHFFFAOYSA-N 0 0 273.144 3.702 50 0 CHAARN CCO[C@@H]1C[C@H](NC(=O)C[C@H]2CCC[C@@H](C)C2)C12CCC2 ZINC000241231031 566968217 /nfs/dbraw/zinc/96/82/17/566968217.db2.gz KRJKOXVRSSOURJ-FXUDXRNXSA-N 0 0 293.451 3.667 50 0 CHAARN O=C(Nc1ccc2c(c1)OCO2)NC1CCCCCCC1 ZINC000053955148 566971277 /nfs/dbraw/zinc/97/12/77/566971277.db2.gz LLXMOANSVMLHRY-UHFFFAOYSA-N 0 0 290.363 3.650 50 0 CHAARN Oc1ccc(CCCNc2ncnc3ccc(F)cc32)cc1 ZINC000092655736 566971386 /nfs/dbraw/zinc/97/13/86/566971386.db2.gz AERVTLVVKQTOCB-UHFFFAOYSA-N 0 0 297.333 3.519 50 0 CHAARN Clc1ccccc1-n1cc(NCc2cscn2)cn1 ZINC000092569039 566971555 /nfs/dbraw/zinc/97/15/55/566971555.db2.gz HEBKESHWGPPKCY-UHFFFAOYSA-N 0 0 290.779 3.594 50 0 CHAARN Cn1ccc2cc(CCC(=O)NC3CCCCC3)ccc21 ZINC000075550545 566971603 /nfs/dbraw/zinc/97/16/03/566971603.db2.gz OMBXMQXMXCWQNC-UHFFFAOYSA-N 0 0 284.403 3.560 50 0 CHAARN CC[C@@H](C)NC(=O)c1cc(C)nc2ccc(Cl)cc21 ZINC000064553216 566982806 /nfs/dbraw/zinc/98/28/06/566982806.db2.gz COIOAOSZJQVTMF-SECBINFHSA-N 0 0 276.767 3.725 50 0 CHAARN O=C(CSc1ccc(Cl)cc1)NCc1ccccc1 ZINC000000449985 566974733 /nfs/dbraw/zinc/97/47/33/566974733.db2.gz VOLPMYSKMKFIAF-UHFFFAOYSA-N 0 0 291.803 3.749 50 0 CHAARN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000000287737 566975306 /nfs/dbraw/zinc/97/53/06/566975306.db2.gz XDMHUZMMHBTTST-CYBMUJFWSA-N 0 0 278.355 3.529 50 0 biogenic CHAARN CC1(C)CN(C(=O)c2ccoc2)C[C@H]1c1ccccc1 ZINC000122028267 566976659 /nfs/dbraw/zinc/97/66/59/566976659.db2.gz OHTUBQZWVQGFQQ-HNNXBMFYSA-N 0 0 269.344 3.545 50 0 CHAARN CCCn1ccc(NC(=O)Nc2cc(C)cc(C)c2)n1 ZINC000064556080 566982577 /nfs/dbraw/zinc/98/25/77/566982577.db2.gz PIVWULYUJSWGLX-UHFFFAOYSA-N 0 0 272.352 3.554 50 0 CHAARN Cc1cccc([C@@H]2CCCN2C(=O)NCCC(C)C)c1 ZINC000064579996 566982584 /nfs/dbraw/zinc/98/25/84/566982584.db2.gz BBAGIRRTZWYPSZ-INIZCTEOSA-N 0 0 274.408 3.888 50 0 CHAARN CCN(c1cc([C@@H]2CCOC2)ncn1)C1CCCCCC1 ZINC000426489835 566987655 /nfs/dbraw/zinc/98/76/55/566987655.db2.gz AJPNRVQNUDCJLO-CQSZACIVSA-N 0 0 289.423 3.530 50 0 CHAARN CC(=O)c1c(-c2ccc(C)c3ccccc23)cnn1C ZINC000426485720 566988190 /nfs/dbraw/zinc/98/81/90/566988190.db2.gz LFIGYUJVJQBLOL-UHFFFAOYSA-N 0 0 264.328 3.751 50 0 CHAARN Fc1cc2cccnc2c(-c2ccc3c(c2)OCC3)c1 ZINC000426728235 566990359 /nfs/dbraw/zinc/99/03/59/566990359.db2.gz IBXXZCDZXOYQSB-UHFFFAOYSA-N 0 0 265.287 3.976 50 0 CHAARN CO[C@H](C)c1cccc(-c2ccc(C(C)C)nn2)c1 ZINC000426612550 566991072 /nfs/dbraw/zinc/99/10/72/566991072.db2.gz PAJGCSCCQKMVHN-GFCCVEGCSA-N 0 0 256.349 3.974 50 0 CHAARN Cc1nc(CC(C)C)oc1C(=O)N1CCCCC[C@@H]1C ZINC000225603484 566991724 /nfs/dbraw/zinc/99/17/24/566991724.db2.gz RNQPVGNSCJJWFL-LBPRGKRZSA-N 0 0 278.396 3.586 50 0 CHAARN Cc1ccc(-c2noc(-c3ccc(NC4CC4)nc3)n2)cc1 ZINC000064676785 566993073 /nfs/dbraw/zinc/99/30/73/566993073.db2.gz MEDARWJSKLKPDU-UHFFFAOYSA-N 0 0 292.342 3.681 50 0 CHAARN Cc1ccc(NC(=O)c2cccn2-c2cccnc2)cc1C ZINC000064839126 566993409 /nfs/dbraw/zinc/99/34/09/566993409.db2.gz VLLIIBDRDAYIEM-UHFFFAOYSA-N 0 0 291.354 3.741 50 0 CHAARN CC[C@@H](C)NC(=O)c1ccnc(-c2ccc(C)s2)c1 ZINC000065063103 567002395 /nfs/dbraw/zinc/00/23/95/567002395.db2.gz LTLFSNHXDZHJGC-SNVBAGLBSA-N 0 0 274.389 3.647 50 0 CHAARN CC(C)CCc1nc(CSc2nccn2C)cs1 ZINC000064926638 566996421 /nfs/dbraw/zinc/99/64/21/566996421.db2.gz YXRMDJFSMULCLG-UHFFFAOYSA-N 0 0 281.450 3.758 50 0 CHAARN Cc1cc(Cl)ccc1C(=O)N(C)[C@H](C)c1cccnc1 ZINC000153096292 566996462 /nfs/dbraw/zinc/99/64/62/566996462.db2.gz WUYBJPRSCTVZDF-GFCCVEGCSA-N 0 0 288.778 3.877 50 0 CHAARN Cc1cc(C)c(CSc2ncnc3c2cnn3C)c(C)c1 ZINC000064927651 566996846 /nfs/dbraw/zinc/99/68/46/566996846.db2.gz WAQNLGFVVQPINJ-UHFFFAOYSA-N 0 0 298.415 3.581 50 0 CHAARN Nc1nc(-c2ccccc2)c2ccc(-c3ccccc3)nn12 ZINC000169681385 566997350 /nfs/dbraw/zinc/99/73/50/566997350.db2.gz KVLLXQZLVIEFII-UHFFFAOYSA-N 0 0 286.338 3.646 50 0 CHAARN CC(C)c1ccc([C@@H]2CC(=O)Nc3nc(N)sc32)cc1 ZINC000036359735 566999796 /nfs/dbraw/zinc/99/97/96/566999796.db2.gz PKTUFAYAMWFTLI-NSHDSACASA-N 0 0 287.388 3.972 50 0 CHAARN CC(C)Cn1nccc1NC(=O)c1ccc(F)cc1Cl ZINC000036394018 567001569 /nfs/dbraw/zinc/00/15/69/567001569.db2.gz AIVNFEJTYOXBEI-UHFFFAOYSA-N 0 0 295.745 3.584 50 0 CHAARN Cc1nc(CSc2nccc(C(F)(F)F)n2)cs1 ZINC000036398269 567001725 /nfs/dbraw/zinc/00/17/25/567001725.db2.gz JFGHULIYCWCHOA-UHFFFAOYSA-N 0 0 291.323 3.553 50 0 CHAARN C[C@H](OCc1ccccc1)C(=O)c1ccc(F)cc1F ZINC000036406995 567002415 /nfs/dbraw/zinc/00/24/15/567002415.db2.gz XBLJRJZCBFBRNA-NSHDSACASA-N 0 0 276.282 3.753 50 0 CHAARN CC[C@@H](C)NC(=O)c1nc2ccccn2c1-c1ccsc1 ZINC000065232158 567003780 /nfs/dbraw/zinc/00/37/80/567003780.db2.gz JRZSQRCAMMZPIF-LLVKDONJSA-N 0 0 299.399 3.591 50 0 CHAARN O=C(NCc1ccc(OCc2ccccc2)cc1)C1CCC1 ZINC000036709765 567006037 /nfs/dbraw/zinc/00/60/37/567006037.db2.gz RFJFUXLSYNOYEX-UHFFFAOYSA-N 0 0 295.382 3.682 50 0 CHAARN O=C(CSCc1ccccc1)N1CCC(=C2CC2)CC1 ZINC000238859968 567006360 /nfs/dbraw/zinc/00/63/60/567006360.db2.gz KMBGYPANAXEHAJ-UHFFFAOYSA-N 0 0 287.428 3.633 50 0 CHAARN O=C(NCCc1cccs1)c1c(F)cccc1Cl ZINC000036717338 567006536 /nfs/dbraw/zinc/00/65/36/567006536.db2.gz FGGGAFHBZDVYPQ-UHFFFAOYSA-N 0 0 283.755 3.513 50 0 CHAARN CC1(C)C[C@H](c2[nH]cnc2-c2ccccc2)CCO1 ZINC000065398864 567007742 /nfs/dbraw/zinc/00/77/42/567007742.db2.gz KQUMIOCFCNGOFL-CYBMUJFWSA-N 0 0 256.349 3.749 50 0 CHAARN C[C@H](NCc1ccnn1C)c1ccc(Cl)cc1Cl ZINC000036901112 567008629 /nfs/dbraw/zinc/00/86/29/567008629.db2.gz SETDZKBZLAYXIT-VIFPVBQESA-N 0 0 284.190 3.578 50 0 CHAARN Cc1n[nH]cc1C[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000036975525 567009697 /nfs/dbraw/zinc/00/96/97/567009697.db2.gz SGDPLKHNXMFUKV-OAHLLOKOSA-N 0 0 277.799 3.858 50 0 CHAARN CCCc1nc(CN2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000065550766 567010314 /nfs/dbraw/zinc/01/03/14/567010314.db2.gz VAWVBLLFMSZQAY-JTQLQIEISA-N 0 0 292.370 3.870 50 0 CHAARN Cc1oc2ccccc2c1CNC(=O)C[C@H]1C=CCC1 ZINC000170596875 567011397 /nfs/dbraw/zinc/01/13/97/567011397.db2.gz NFYLCXUYVKVNKB-ZDUSSCGKSA-N 0 0 269.344 3.714 50 0 CHAARN Clc1ccc(Nc2nc(-c3cccnc3)ns2)cc1 ZINC000039929558 567011477 /nfs/dbraw/zinc/01/14/77/567011477.db2.gz VDBQDYXKJPDIDO-UHFFFAOYSA-N 0 0 288.763 3.997 50 0 CHAARN CC[C@H]1CCCC[C@@H]1NC(=O)N(C)CC1CCCC1 ZINC000170599935 567011876 /nfs/dbraw/zinc/01/18/76/567011876.db2.gz UAPRKBALIAJFSB-GJZGRUSLSA-N 0 0 266.429 3.787 50 0 CHAARN CC[C@@H]1CCCC[C@H]1Nc1cccc(C[S@](C)=O)c1 ZINC000170593318 567012017 /nfs/dbraw/zinc/01/20/17/567012017.db2.gz XMPXLFSOKOMKJZ-OGWOLHLISA-N 0 0 279.449 3.946 50 0 CHAARN CC[C@@H]1CCCCN1c1ncnc2c(C)csc21 ZINC000170610823 567014012 /nfs/dbraw/zinc/01/40/12/567014012.db2.gz GTKFRQUPFMYRQV-LLVKDONJSA-N 0 0 261.394 3.769 50 0 CHAARN O=C(Cc1ccc(Cl)cc1)Nc1nc(F)ccc1Cl ZINC000170606230 567014227 /nfs/dbraw/zinc/01/42/27/567014227.db2.gz YGVBSQDKWRRMCJ-UHFFFAOYSA-N 0 0 299.132 3.709 50 0 CHAARN CCCc1noc(CN2CCCc3c(C)cc(C)cc32)n1 ZINC000170620653 567015431 /nfs/dbraw/zinc/01/54/31/567015431.db2.gz PDCHLAAJRHUBBI-UHFFFAOYSA-N 0 0 285.391 3.592 50 0 CHAARN Cc1ccc(CCNc2ncnc3ccccc32)cc1 ZINC000170629168 567015617 /nfs/dbraw/zinc/01/56/17/567015617.db2.gz RTRYFILUAXUVCK-UHFFFAOYSA-N 0 0 263.344 3.593 50 0 CHAARN CSc1cccc(NC(=O)NCCc2ccccc2)c1 ZINC000013320109 567017355 /nfs/dbraw/zinc/01/73/55/567017355.db2.gz PZHFLVKXEVQKDX-UHFFFAOYSA-N 0 0 286.400 3.773 50 0 CHAARN CCCCC[C@H](C)NC(=O)NCCCc1ccccc1 ZINC000071793381 567017915 /nfs/dbraw/zinc/01/79/15/567017915.db2.gz GSXUBFLYVGYFRS-HNNXBMFYSA-N 0 0 276.424 3.887 50 0 CHAARN O=C(c1ccc(SCc2ccccc2)nc1)N1CCCC1 ZINC000042760559 567018271 /nfs/dbraw/zinc/01/82/71/567018271.db2.gz XTVHDFCQXLQLNW-UHFFFAOYSA-N 0 0 298.411 3.610 50 0 CHAARN C[C@H](NC(=O)NC1CCCC1)c1ccc(Cl)s1 ZINC000013744948 567021121 /nfs/dbraw/zinc/02/11/21/567021121.db2.gz NITMDVOICRJBOL-QMMMGPOBSA-N 0 0 272.801 3.704 50 0 CHAARN CC[C@H](C)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000013746375 567020803 /nfs/dbraw/zinc/02/08/03/567020803.db2.gz XKESEHDQMVOIJM-QWHCGFSZSA-N 0 0 270.376 3.999 50 0 CHAARN CC[C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000013745654 567021283 /nfs/dbraw/zinc/02/12/83/567021283.db2.gz DGVMMHFVJFILKI-RWMBFGLXSA-N 0 0 254.418 3.689 50 0 CHAARN Cc1ccc(C)c(NC(=O)c2cccc(-c3ncon3)c2)c1 ZINC000076019143 567028210 /nfs/dbraw/zinc/02/82/10/567028210.db2.gz ZGWDBWWPSBZPBL-UHFFFAOYSA-N 0 0 293.326 3.606 50 0 CHAARN C[C@H](N[C@@H](c1ccccc1)c1ccccn1)c1cccnc1 ZINC000089910055 567030161 /nfs/dbraw/zinc/03/01/61/567030161.db2.gz TYIPUAYJUVNGSX-KXBFYZLASA-N 0 0 289.382 3.917 50 0 CHAARN CO[C@H](C)c1cccc(NCc2cccc3c[nH]nc32)c1 ZINC000089905252 567030211 /nfs/dbraw/zinc/03/02/11/567030211.db2.gz VTJUUSIKSYEHQT-GFCCVEGCSA-N 0 0 281.359 3.882 50 0 CHAARN CCOc1ccc([C@@H](C)NC(=O)N(C)CC2CCC2)cc1 ZINC000089991096 567032267 /nfs/dbraw/zinc/03/22/67/567032267.db2.gz RHXLPFJFANTJGJ-CYBMUJFWSA-N 0 0 290.407 3.588 50 0 CHAARN Cc1nc(CSCc2cc(-c3cccs3)on2)no1 ZINC000076323338 567033659 /nfs/dbraw/zinc/03/36/59/567033659.db2.gz CIUPHGCTLVKFFR-UHFFFAOYSA-N 0 0 293.373 3.528 50 0 CHAARN CCc1ccc([C@H](C)NCc2cn3cccc(C)c3n2)o1 ZINC000090045095 567033702 /nfs/dbraw/zinc/03/37/02/567033702.db2.gz OQTGFFACRJYDOI-ZDUSSCGKSA-N 0 0 283.375 3.649 50 0 CHAARN CC(C)=C[C@@H]1[C@H](C(=O)O[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1(C)C ZINC000170634936 567035097 /nfs/dbraw/zinc/03/50/97/567035097.db2.gz CDTJVLHIKRCGAJ-ARILJUKYSA-N 0 0 292.419 3.582 50 0 CHAARN Cc1ccc2ccccc2c1NC(=O)N1CCSCC1 ZINC000095416979 567039303 /nfs/dbraw/zinc/03/93/03/567039303.db2.gz PGSVGTYPXHNBCZ-UHFFFAOYSA-N 0 0 286.400 3.729 50 0 CHAARN CC(=O)NCC[C@H]1[C@H](c2c(C)n(C)c3ccccc32)C1(C)C ZINC000002109182 567044075 /nfs/dbraw/zinc/04/40/75/567044075.db2.gz BGICSBMBQSLWQY-MAUKXSAKSA-N 0 0 298.430 3.753 50 0 biogenic CHAARN COc1ccc([C@@H]2CCCCN(C(=O)CC3CC3)C2)cc1 ZINC000208004310 567051638 /nfs/dbraw/zinc/05/16/38/567051638.db2.gz CHBQZVVJNBNTHI-MRXNPFEDSA-N 0 0 287.403 3.591 50 0 CHAARN CCC(CC)C(=O)N1CCC[C@@H]1c1csc(C)n1 ZINC000193169412 567051754 /nfs/dbraw/zinc/05/17/54/567051754.db2.gz HONMFPMAGMJMQN-CYBMUJFWSA-N 0 0 266.410 3.551 50 0 CHAARN CC(=O)c1cc2c(s1)SCc1ccccc1C2=O ZINC000000346894 567053456 /nfs/dbraw/zinc/05/34/56/567053456.db2.gz FGMBBDANLQEMGL-UHFFFAOYSA-N 0 0 274.366 3.787 50 0 CHAARN CC(C)N(C(=O)Nc1ccccc1Cl)C(C)C ZINC000000396318 567054882 /nfs/dbraw/zinc/05/48/82/567054882.db2.gz RIIDSSDXCJINLM-UHFFFAOYSA-N 0 0 254.761 3.991 50 0 CHAARN CC(C)CC(=O)NCC[C@H](c1ccco1)c1ccccc1 ZINC000002134518 567056030 /nfs/dbraw/zinc/05/60/30/567056030.db2.gz PVCSGVQIZWAYMV-INIZCTEOSA-N 0 0 285.387 3.964 50 0 biogenic CHAARN O[C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000002167135 567056354 /nfs/dbraw/zinc/05/63/54/567056354.db2.gz XYMORTGEMACCDO-ZDUSSCGKSA-N 0 0 270.225 3.926 50 0 CHAARN CCN(CC)C(=O)C[C@H](C(C)C)[C@H]1CCOC(C)(C)C1 ZINC000002149932 567058367 /nfs/dbraw/zinc/05/83/67/567058367.db2.gz HEUJCGMLLZGMIQ-LSDHHAIUSA-N 0 0 283.456 3.722 50 0 biogenic CHAARN O=C(c1cc(C2CC2)no1)N1CCCC[C@H]2CCCC[C@H]21 ZINC000252507654 567059474 /nfs/dbraw/zinc/05/94/74/567059474.db2.gz WQQIOUMSBNGODC-UKRRQHHQSA-N 0 0 288.391 3.737 50 0 CHAARN Nc1c2cccnc2sc1-c1nc(-c2ccccc2)no1 ZINC000252494596 567061146 /nfs/dbraw/zinc/06/11/46/567061146.db2.gz NZIZVDVZMIYAFF-UHFFFAOYSA-N 0 0 294.339 3.596 50 0 CHAARN Fc1ccc(F)c(CCNc2ncnc3ccccc32)c1 ZINC000170650037 567062869 /nfs/dbraw/zinc/06/28/69/567062869.db2.gz JVPANCYSBIYBJE-UHFFFAOYSA-N 0 0 285.297 3.563 50 0 CHAARN Cc1cc(C(=O)Nc2ccccc2SC(F)F)on1 ZINC000027382255 567067418 /nfs/dbraw/zinc/06/74/18/567067418.db2.gz XHVUYBKBCDRAOJ-UHFFFAOYSA-N 0 0 284.287 3.550 50 0 CHAARN Cc1nc(C2(NCc3ccc(C)c(Cl)c3)CCC2)no1 ZINC000195440402 567070117 /nfs/dbraw/zinc/07/01/17/567070117.db2.gz FYYCHEBKKAJMFH-UHFFFAOYSA-N 0 0 291.782 3.509 50 0 CHAARN C[C@@H](CC1CC1)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000195566336 567070256 /nfs/dbraw/zinc/07/02/56/567070256.db2.gz VBZZPFDQXWKLCD-YPMLDQLKSA-N 0 0 285.840 3.819 50 0 CHAARN Fc1cc(C(F)(F)F)cc(Br)c1F ZINC000141178185 567092557 /nfs/dbraw/zinc/09/25/57/567092557.db2.gz MYXGXAKANXIUDQ-UHFFFAOYSA-N 0 0 260.987 3.746 50 0 CHAARN CC1(C)c2ccccc2N(Cc2ccccc2)C1=O ZINC000038222338 567087346 /nfs/dbraw/zinc/08/73/46/567087346.db2.gz WWYLREXTPAWMGN-UHFFFAOYSA-N 0 0 251.329 3.511 50 0 CHAARN Cc1nc2n(n1)[C@H](c1cccs1)CC(c1ccccc1)=N2 ZINC000019898979 567087446 /nfs/dbraw/zinc/08/74/46/567087446.db2.gz JCPXZGVNGBOYAU-AWEZNQCLSA-N 0 0 294.383 3.704 50 0 CHAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)N1CCCC1 ZINC000019864770 567089100 /nfs/dbraw/zinc/08/91/00/567089100.db2.gz IEYZOIYUVAYSGG-SFHVURJKSA-N 0 0 294.398 3.776 50 0 CHAARN c1cc2c(s1)SCc1ccccc1[C@@H]2[C@H]1C=NC=N1 ZINC000138105562 567092451 /nfs/dbraw/zinc/09/24/51/567092451.db2.gz MZOISKJAKIFWPQ-KGLIPLIRSA-N 0 0 284.409 3.967 50 0 CHAARN CC(C)(OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000114747277 567092849 /nfs/dbraw/zinc/09/28/49/567092849.db2.gz PKBXXTDJYMWGAW-UHFFFAOYSA-N 0 0 284.355 3.725 50 0 CHAARN Clc1cc(Cn2cc(-c3ccccc3)cn2)ccn1 ZINC000054961350 567099160 /nfs/dbraw/zinc/09/91/60/567099160.db2.gz WEXAMEODZMFQPT-UHFFFAOYSA-N 0 0 269.735 3.647 50 0 CHAARN Cc1cccnc1[C@@H](NC(=O)CSC(C)(C)C)C(C)C ZINC000079358135 567123750 /nfs/dbraw/zinc/12/37/50/567123750.db2.gz NHOFELRZMCEZRZ-AWEZNQCLSA-N 0 0 294.464 3.735 50 0 CHAARN CCCCc1ccccc1NC(=S)NC(C)C ZINC000013793472 567110565 /nfs/dbraw/zinc/11/05/65/567110565.db2.gz KPJQXEALSKKMIT-UHFFFAOYSA-N 0 0 250.411 3.724 50 0 CHAARN Fc1ccc(CSc2nnc(C3CC3)[nH]2)c(Cl)c1 ZINC000012992247 567116254 /nfs/dbraw/zinc/11/62/54/567116254.db2.gz IVKLWGZCNDAJIN-UHFFFAOYSA-N 0 0 283.759 3.767 50 0 CHAARN CC(C)[C@@]12CC[C@@](C)(O1)[C@@H](OCc1ccccc1)C2 ZINC000012856154 567116280 /nfs/dbraw/zinc/11/62/80/567116280.db2.gz GAOXSAWQBLHRAE-BBWFWOEESA-N 0 0 260.377 3.939 50 0 CHAARN Cc1cccnc1[C@@H](NC(=O)Cc1cccs1)C(C)C ZINC000079358250 567122299 /nfs/dbraw/zinc/12/22/99/567122299.db2.gz HJGNSEDUKVMHGS-HNNXBMFYSA-N 0 0 288.416 3.508 50 0 CHAARN C[C@H](c1noc([C@H]2C[C@H]2c2ccc(C#N)cc2)n1)C1CC1 ZINC000390833259 567126273 /nfs/dbraw/zinc/12/62/73/567126273.db2.gz FILJFCNZAOGABY-LKTVYLICSA-N 0 0 279.343 3.726 50 0 CHAARN O=C(/C=C/c1ccco1)NCCCc1cc2ccccc2o1 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/nfs/dbraw/zinc/83/57/44/567835744.db2.gz JRIZOGLBRPZBLQ-QFXBJFAPSA-N 0 0 272.388 3.697 50 0 CHAARN C[C@@H]1CCc2c(C(=O)Nc3ccccn3)csc2C1 ZINC000001053511 567835746 /nfs/dbraw/zinc/83/57/46/567835746.db2.gz CLCUHNYIWZKCJD-SNVBAGLBSA-N 0 0 272.373 3.520 50 0 CHAARN COc1ccc(NC(=O)c2ccc(Cl)s2)cc1OC ZINC000001054908 567835791 /nfs/dbraw/zinc/83/57/91/567835791.db2.gz PVAJZHMJNYGQIQ-UHFFFAOYSA-N 0 0 297.763 3.671 50 0 CHAARN Cc1ccc(S[C@@H](C)C(=O)Nc2ccncc2)cc1 ZINC000001066868 567836181 /nfs/dbraw/zinc/83/61/81/567836181.db2.gz YNHJLACDTQIFOT-LBPRGKRZSA-N 0 0 272.373 3.509 50 0 CHAARN O=C(c1cc2c(s1)CCCC2)N1CCc2ccccc21 ZINC000001056676 567836216 /nfs/dbraw/zinc/83/62/16/567836216.db2.gz SEFLUXKKMLGBHY-UHFFFAOYSA-N 0 0 283.396 3.830 50 0 CHAARN O=C(OCc1nc2ccccc2s1)c1ccccc1 ZINC000001075932 567836240 /nfs/dbraw/zinc/83/62/40/567836240.db2.gz OLEDMXDBAVQASQ-UHFFFAOYSA-N 0 0 269.325 3.653 50 0 CHAARN COc1ccccc1NC(=O)c1ccccc1C(F)(F)F ZINC000001187201 567836619 /nfs/dbraw/zinc/83/66/19/567836619.db2.gz VEVFIRMZJLZYDL-UHFFFAOYSA-N 0 0 295.260 3.966 50 0 CHAARN CC(=O)c1sc(-c2ccccc2Cl)nc1C ZINC000001390096 567836739 /nfs/dbraw/zinc/83/67/39/567836739.db2.gz FFQIAGIQYOTAET-UHFFFAOYSA-N 0 0 251.738 3.975 50 0 CHAARN O=Cc1cn(-c2ncccc2C(F)(F)F)c2ccccc12 ZINC000001392912 567837180 /nfs/dbraw/zinc/83/71/80/567837180.db2.gz NXLKUMCXCXSPQE-UHFFFAOYSA-N 0 0 290.244 3.857 50 0 CHAARN COC(=O)C[C@@H](c1ccc(C(C)C)cc1)n1cccc1 ZINC000001396196 567837427 /nfs/dbraw/zinc/83/74/27/567837427.db2.gz SXYLUXYGBGGRPG-INIZCTEOSA-N 0 0 271.360 3.764 50 0 CHAARN O=C(/C=C/c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000001456409 567837540 /nfs/dbraw/zinc/83/75/40/567837540.db2.gz KEILRQNJLXIUMO-KAUXGEHWSA-N 0 0 277.367 3.894 50 0 CHAARN COc1ccccc1C(=O)N1c2ccc(F)cc2CC[C@H]1C ZINC000001456915 567837709 /nfs/dbraw/zinc/83/77/09/567837709.db2.gz FRZNIIVOLYNGIN-GFCCVEGCSA-N 0 0 299.345 3.816 50 0 CHAARN COc1c(C)cc(Br)cc1Br ZINC000001597573 567838863 /nfs/dbraw/zinc/83/88/63/567838863.db2.gz AYOMUNYKNNGFSZ-UHFFFAOYSA-N 0 0 279.959 3.529 50 0 CHAARN CC(=O)O[C@@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000001645024 567840004 /nfs/dbraw/zinc/84/00/04/567840004.db2.gz JKRWZLOCPLZZEI-VIFPVBQESA-N 0 0 267.539 3.661 50 0 CHAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(F)(F)F ZINC000001724410 567842436 /nfs/dbraw/zinc/84/24/36/567842436.db2.gz XPHPBNGAXWJHHP-UHFFFAOYSA-N 0 0 277.245 3.759 50 0 CHAARN CS(=O)(=O)c1ccc(/C=C2\C=Cc3ccccc32)cc1 ZINC000001720703 567842513 /nfs/dbraw/zinc/84/25/13/567842513.db2.gz XICAFMGQCYYCRA-NTCAYCPXSA-N 0 0 282.364 3.658 50 0 CHAARN CCCCOC(=O)N=c1[nH]c2ccccc2s1 ZINC000001770702 567843592 /nfs/dbraw/zinc/84/35/92/567843592.db2.gz MOCSGTGJXPZQJJ-UHFFFAOYSA-N 0 0 250.323 3.645 50 0 aggregator CHAARN CCc1ccc(OCCCC(=O)NC2CCCCC2)cc1 ZINC000001773859 567843625 /nfs/dbraw/zinc/84/36/25/567843625.db2.gz FJHVZUDYFLFNAW-UHFFFAOYSA-N 0 0 289.419 3.857 50 0 CHAARN CCCCCC(=O)NC(=S)Nc1ccc(Cl)cc1 ZINC000002052116 567844463 /nfs/dbraw/zinc/84/44/63/567844463.db2.gz HEMFMWSXMCLCKX-UHFFFAOYSA-N 0 0 284.812 3.733 50 0 CHAARN Cc1ccc(/C=C/C(=O)N(C)c2ccccc2)cc1 ZINC000002136341 567844747 /nfs/dbraw/zinc/84/47/47/567844747.db2.gz PHEWIXXLXTZFSS-OUKQBFOZSA-N 0 0 251.329 3.671 50 0 CHAARN CCCCNC(=S)Nc1ccc(C(C)C)cc1 ZINC000002164261 567844855 /nfs/dbraw/zinc/84/48/55/567844855.db2.gz KKTZOAAEFNOGBS-UHFFFAOYSA-N 0 0 250.411 3.897 50 0 CHAARN CC(C)CCNC(=O)/C=C/c1ccc(Br)cc1 ZINC000002085994 567844957 /nfs/dbraw/zinc/84/49/57/567844957.db2.gz DMKFYOCGPVCMJC-VMPITWQZSA-N 0 0 296.208 3.625 50 0 CHAARN CCCCc1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000002231232 567845131 /nfs/dbraw/zinc/84/51/31/567845131.db2.gz JMPOOIBSZYVLKC-UHFFFAOYSA-N 0 0 286.404 3.560 50 0 CHAARN CCOC(=O)CCCCCC(=O)c1c(F)cccc1F ZINC000002243645 567845392 /nfs/dbraw/zinc/84/53/92/567845392.db2.gz DBHCLKCHVPPWFB-UHFFFAOYSA-N 0 0 284.302 3.661 50 0 CHAARN CCOC(=O)CCCCCC(=O)c1ccc(C)cc1 ZINC000002378886 567845573 /nfs/dbraw/zinc/84/55/73/567845573.db2.gz VUXXBNAAJIMSMH-UHFFFAOYSA-N 0 0 262.349 3.691 50 0 CHAARN C[C@H]1S[C@@H](c2ccccc2)N(CCc2ccccc2)C1=O ZINC000002496673 567845871 /nfs/dbraw/zinc/84/58/71/567845871.db2.gz MHTPHNMQFNQPQF-KDOFPFPSSA-N 0 0 297.423 3.892 50 0 CHAARN CCCOc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000002481327 567845986 /nfs/dbraw/zinc/84/59/86/567845986.db2.gz CEFOYZHESSCNKI-UHFFFAOYSA-N 0 0 272.222 3.601 50 0 biogenic CHAARN CCOC(=O)CCCCCCC(=O)c1ccc(Cl)nc1 ZINC000002392713 567846041 /nfs/dbraw/zinc/84/60/41/567846041.db2.gz FFJQZWOCSSZHSH-UHFFFAOYSA-N 0 0 297.782 3.821 50 0 CHAARN Cc1ccc(C)c(C(=O)c2ccc(CN3CCC3)cc2)c1 ZINC000002514622 567846426 /nfs/dbraw/zinc/84/64/26/567846426.db2.gz MLTKLKVURKRXAN-UHFFFAOYSA-N 0 0 279.383 3.740 50 0 CHAARN Cc1ccc(C)c(C(=O)c2ccccc2CN2CC=CC2)c1 ZINC000002515894 567846687 /nfs/dbraw/zinc/84/66/87/567846687.db2.gz BMJKPFAKNKKKTF-UHFFFAOYSA-N 0 0 291.394 3.906 50 0 CHAARN COc1ccc(C(=O)CCc2cc(F)c(F)c(F)c2)cc1 ZINC000002517841 567847355 /nfs/dbraw/zinc/84/73/55/567847355.db2.gz PIJNEGSUJZJGIF-UHFFFAOYSA-N 0 0 294.272 3.928 50 0 CHAARN CC(C)c1ccc(C(=O)CCC2OCCCO2)cc1 ZINC000002518098 567847470 /nfs/dbraw/zinc/84/74/70/567847470.db2.gz PXDTYPPZIMEGLE-UHFFFAOYSA-N 0 0 262.349 3.536 50 0 CHAARN CC1(C)COC(CCCC(=O)c2cccc(F)c2)OC1 ZINC000002518054 567847541 /nfs/dbraw/zinc/84/75/41/567847541.db2.gz AUAGLVYODZARRK-UHFFFAOYSA-N 0 0 280.339 3.578 50 0 CHAARN Nc1cc(-c2ccc(F)cc2)nn1-c1cccc(Cl)c1 ZINC000002532583 567847668 /nfs/dbraw/zinc/84/76/68/567847668.db2.gz RLEPIXFIWCZQGP-UHFFFAOYSA-N 0 0 287.725 3.914 50 0 CHAARN Oc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000012957325 567864469 /nfs/dbraw/zinc/86/44/69/567864469.db2.gz HMBBTPMHPQGJMR-UHFFFAOYSA-N 0 0 265.106 3.947 50 0 CHAARN COc1ccc(-c2cccnc2)cc1Br ZINC000002563850 567847969 /nfs/dbraw/zinc/84/79/69/567847969.db2.gz KTVXJHMMCXLBSH-UHFFFAOYSA-N 0 0 264.122 3.520 50 0 CHAARN O=Cc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000002558329 567848026 /nfs/dbraw/zinc/84/80/26/567848026.db2.gz WJGSTVGBZKTFMP-UHFFFAOYSA-N 0 0 264.683 3.871 50 0 CHAARN CCOC(=O)CCCC(=O)c1cccc(Cl)c1Cl ZINC000002580334 567848352 /nfs/dbraw/zinc/84/83/52/567848352.db2.gz AHVRXUCTWJXLNS-UHFFFAOYSA-N 0 0 289.158 3.910 50 0 CHAARN CCOC(=O)CCCCCC(=O)c1ccc(CC)cc1 ZINC000002580356 567848416 /nfs/dbraw/zinc/84/84/16/567848416.db2.gz SPJVPQLRMFLDIT-UHFFFAOYSA-N 0 0 276.376 3.945 50 0 CHAARN CCOc1cc(C=O)ccc1OCc1cccc(C)c1 ZINC000002597444 567848599 /nfs/dbraw/zinc/84/85/99/567848599.db2.gz ONLIXXIXJYPHLK-UHFFFAOYSA-N 0 0 270.328 3.785 50 0 CHAARN CCCCCn1c2ccccc2nc1[C@@H](C)NC(=O)CC ZINC000002601753 567848678 /nfs/dbraw/zinc/84/86/78/567848678.db2.gz IKRFIHSDEOZQDN-CYBMUJFWSA-N 0 0 287.407 3.814 50 0 CHAARN CC(=O)Nc1cc(OC(C)C)c(Cl)cc1Cl ZINC000002583684 567848693 /nfs/dbraw/zinc/84/86/93/567848693.db2.gz QPJSUIGXIBEQAC-UHFFFAOYSA-N 0 0 262.136 3.739 50 0 CHAARN COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000002584516 567848755 /nfs/dbraw/zinc/84/87/55/567848755.db2.gz QSGONIQEKLJPGV-UHFFFAOYSA-N 0 0 264.365 3.774 50 0 biogenic,in-vitro CHAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1C ZINC000002695282 567848762 /nfs/dbraw/zinc/84/87/62/567848762.db2.gz KUGCLVZWDHWHNU-ZDUSSCGKSA-N 0 0 287.334 3.849 50 0 CHAARN CCCCN(CC)C(=O)c1cc(Cl)ccc1OC ZINC000002739516 567849180 /nfs/dbraw/zinc/84/91/80/567849180.db2.gz UXGAYKXKTFIDBB-UHFFFAOYSA-N 0 0 269.772 3.611 50 0 CHAARN COc1ccc(NC(=O)Cc2ccccc2Cl)cc1 ZINC000002807529 567849637 /nfs/dbraw/zinc/84/96/37/567849637.db2.gz MLCWTPFUKNCIRL-UHFFFAOYSA-N 0 0 275.735 3.530 50 0 CHAARN Cc1ccc(OCCCOc2ccc(C=O)cc2)cc1 ZINC000002866712 567849808 /nfs/dbraw/zinc/84/98/08/567849808.db2.gz JOLIYSFJRHJEKS-UHFFFAOYSA-N 0 0 270.328 3.655 50 0 CHAARN Cc1cc(OCCOc2ccc(C=O)cc2)ccc1Cl ZINC000002866704 567849928 /nfs/dbraw/zinc/84/99/28/567849928.db2.gz CKQDCFPROYPUQT-UHFFFAOYSA-N 0 0 290.746 3.919 50 0 CHAARN Cc1ccc(SCC(=O)Nc2ccc(Cl)cn2)cc1 ZINC000002848472 567849962 /nfs/dbraw/zinc/84/99/62/567849962.db2.gz KHRVIRHJANEIQZ-UHFFFAOYSA-N 0 0 292.791 3.774 50 0 CHAARN COc1ccc(OCCCOc2ccccc2OC)cc1 ZINC000002904705 567850473 /nfs/dbraw/zinc/85/04/73/567850473.db2.gz JLIJUNQBXIJNSE-UHFFFAOYSA-N 0 0 288.343 3.552 50 0 CHAARN CCCOc1cccc(NC(=O)c2ccc(C)o2)c1 ZINC000002926729 567850629 /nfs/dbraw/zinc/85/06/29/567850629.db2.gz OGFNONBPABBCSQ-UHFFFAOYSA-N 0 0 259.305 3.629 50 0 CHAARN COc1ccc(C(=O)N[C@H](C)CCCC(C)C)cc1OC ZINC000002989780 567850849 /nfs/dbraw/zinc/85/08/49/567850849.db2.gz WGCFLERLVRHBAD-CYBMUJFWSA-N 0 0 293.407 3.648 50 0 CHAARN CCOc1ccc(OCCOc2ccc(F)cc2)cc1 ZINC000002994721 567850952 /nfs/dbraw/zinc/85/09/52/567850952.db2.gz WMUXYRYGSYMQNW-UHFFFAOYSA-N 0 0 276.307 3.682 50 0 CHAARN O=C(CCCOc1ccccc1)Nc1ccc(F)cc1F ZINC000002990793 567850966 /nfs/dbraw/zinc/85/09/66/567850966.db2.gz AHRCGOCDPDDYFP-UHFFFAOYSA-N 0 0 291.297 3.763 50 0 CHAARN C[C@H]1S[C@@H](c2ccc(OCc3ccccc3)cc2)NC1=O ZINC000003098219 567851279 /nfs/dbraw/zinc/85/12/79/567851279.db2.gz RBSJVEAHHJUHJQ-PXAZEXFGSA-N 0 0 299.395 3.516 50 0 CHAARN Nc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000003015416 567851298 /nfs/dbraw/zinc/85/12/98/567851298.db2.gz YZJWYUKUNMHVFH-UHFFFAOYSA-N 0 0 281.142 3.828 50 0 CHAARN Cc1ccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)cc1C ZINC000003097290 567851308 /nfs/dbraw/zinc/85/13/08/567851308.db2.gz VWYJCKFOLRKAAP-KDOFPFPSSA-N 0 0 285.387 3.619 50 0 CHAARN O=C(N/C=C/c1ccccc1)OCc1ccccc1 ZINC000003105652 567851482 /nfs/dbraw/zinc/85/14/82/567851482.db2.gz AECSLLNPNDUEAV-VAWYXSNFSA-N 0 0 253.301 3.584 50 0 CHAARN O=c1c(=O)c(Sc2ccccc2)c1Sc1ccccc1 ZINC000003119161 567851744 /nfs/dbraw/zinc/85/17/44/567851744.db2.gz VHGAOFFFULFTHA-UHFFFAOYSA-N 0 0 298.388 3.585 50 0 CHAARN CCc1cc(NC(=O)c2cccs2)nn1-c1ccccc1 ZINC000034907311 567852395 /nfs/dbraw/zinc/85/23/95/567852395.db2.gz SXQVZFLOIPWHLZ-UHFFFAOYSA-N 0 0 297.383 3.749 50 0 CHAARN Cc1cccc(C)c1OCc1noc(-c2ccccc2)n1 ZINC000034906885 567852467 /nfs/dbraw/zinc/85/24/67/567852467.db2.gz GZHZFLPKCUKRKC-UHFFFAOYSA-N 0 0 280.327 3.932 50 0 CHAARN O=Cc1sc(N2CCCCC2)nc1-c1cccs1 ZINC000003319055 567852498 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OSHINOMSNLRBHP-MRXNPFEDSA-N 0 0 280.220 3.683 50 0 CHAARN CCCn1cc(NC(=O)Nc2cc3[nH]ccc3cc2C)cn1 ZINC000097166049 567905338 /nfs/dbraw/zinc/90/53/38/567905338.db2.gz QJVUYXJZQKIKOI-UHFFFAOYSA-N 0 0 297.362 3.727 50 0 CHAARN Cc1cccc(CNC(=O)Nc2c(C)cccc2Cl)n1 ZINC000097161908 567905360 /nfs/dbraw/zinc/90/53/60/567905360.db2.gz MIEQDYQTHNFWHQ-UHFFFAOYSA-N 0 0 289.766 3.674 50 0 CHAARN COc1ccccc1C[C@H](C)Nc1c(C)noc1C1CC1 ZINC000097162393 567905586 /nfs/dbraw/zinc/90/55/86/567905586.db2.gz MUQXUXJBKOGRTJ-NSHDSACASA-N 0 0 286.375 3.912 50 0 CHAARN c1ccc(CSCc2ccc3c(c2)COC3)nc1 ZINC000097046904 567906546 /nfs/dbraw/zinc/90/65/46/567906546.db2.gz QESGWEGTQMYKKZ-UHFFFAOYSA-N 0 0 257.358 3.545 50 0 CHAARN Cc1ccc(-c2csc(NC(=O)c3cccnc3)n2)cc1 ZINC000000068354 567906815 /nfs/dbraw/zinc/90/68/15/567906815.db2.gz VKDYUSUSRNWMMK-UHFFFAOYSA-N 0 0 295.367 3.766 50 0 CHAARN CC(=O)N[C@H](C)c1ccc(CCCCCF)cc1 ZINC000082097678 567906831 /nfs/dbraw/zinc/90/68/31/567906831.db2.gz BNFCPAZUEVGLRB-GFCCVEGCSA-N 0 0 251.345 3.566 50 0 CHAARN CC(C)(C)n1nccc1-c1cc(F)c(F)cc1F ZINC000082048739 567906907 /nfs/dbraw/zinc/90/69/07/567906907.db2.gz GHWSJZNDLMYABE-UHFFFAOYSA-N 0 0 254.255 3.722 50 0 CHAARN c1c2ccccc2[nH]c1[C@H]1CCCN(c2ccccn2)C1 ZINC000585138924 567907063 /nfs/dbraw/zinc/90/70/63/567907063.db2.gz CENKALBEGAYVSD-HNNXBMFYSA-N 0 0 277.371 3.947 50 0 CHAARN CC(C)(C)C1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000000076872 567907518 /nfs/dbraw/zinc/90/75/18/567907518.db2.gz STJVENDQRFTLCO-UHFFFAOYSA-N 0 0 273.376 3.741 50 0 CHAARN Cc1ccccc1CCC(=O)OCc1cc(Cl)ccn1 ZINC000072289656 567908707 /nfs/dbraw/zinc/90/87/07/567908707.db2.gz GMYPZPNFNZKHFF-UHFFFAOYSA-N 0 0 289.762 3.719 50 0 CHAARN CC[C@@]1(C)Nc2ccccc2C(=O)N1c1ccc(OC)cc1 ZINC000000088212 567908777 /nfs/dbraw/zinc/90/87/77/567908777.db2.gz KACYNOZRMDSDJD-SFHVURJKSA-N 0 0 296.370 3.894 50 0 CHAARN C[C@@H]1SC2(CCCCC2)N(c2ccc(F)cc2)C1=O ZINC000000093007 567909010 /nfs/dbraw/zinc/90/90/10/567909010.db2.gz BTMNNQZVTZOLFI-NSHDSACASA-N 0 0 279.380 3.954 50 0 CHAARN Cc1ccc([C@H]2Cc3[nH]c(-c4ccccc4)nc3C(=O)C2)o1 ZINC000095117773 567909076 /nfs/dbraw/zinc/90/90/76/567909076.db2.gz NFPNFEIKQVQLII-ZDUSSCGKSA-N 0 0 292.338 3.891 50 0 CHAARN CC(C)(C)OC(=O)n1ccc2c1nccc2Br ZINC000095093311 567909192 /nfs/dbraw/zinc/90/91/92/567909192.db2.gz XIWJCGZCLBMYBC-UHFFFAOYSA-N 0 0 297.152 3.582 50 0 CHAARN Cc1nc2c(s1)CCC[C@H]2Nc1nnc(C2CCC2)o1 ZINC000095376316 567909429 /nfs/dbraw/zinc/90/94/29/567909429.db2.gz UJFADJLKZGPBJE-SNVBAGLBSA-N 0 0 290.392 3.592 50 0 CHAARN CSCCc1nc(C2CC2)nn1C1CCCCC1 ZINC000095500594 567909518 /nfs/dbraw/zinc/90/95/18/567909518.db2.gz ILOXDGLIBKVZJS-UHFFFAOYSA-N 0 0 265.426 3.566 50 0 CHAARN CCCCn1nc(C2CC2)nc1Cc1ccc(F)cc1F ZINC000095501824 567909568 /nfs/dbraw/zinc/90/95/68/567909568.db2.gz UBGBOYGTKXBINS-UHFFFAOYSA-N 0 0 291.345 3.825 50 0 CHAARN COc1cccc(OC)c1-c1ccc(C(F)(F)F)nc1 ZINC000096160580 567909666 /nfs/dbraw/zinc/90/96/66/567909666.db2.gz OOQYEYNNVRZXTR-UHFFFAOYSA-N 0 0 283.249 3.785 50 0 CHAARN CCCn1nc(C)nc1Cc1c(F)ccc(Cl)c1F ZINC000096163819 567909918 /nfs/dbraw/zinc/90/99/18/567909918.db2.gz DGJGKEGUQIGHBF-UHFFFAOYSA-N 0 0 285.725 3.519 50 0 CHAARN c1cc([C@@H]2CCCO2)sc1-c1nc(-c2ccncc2)no1 ZINC000096165288 567909937 /nfs/dbraw/zinc/90/99/37/567909937.db2.gz NBOSASNNDZSKPQ-NSHDSACASA-N 0 0 299.355 3.712 50 0 CHAARN Cc1ccc2c(c1)CC(=O)N2Cc1ccc(Cl)cc1 ZINC000096319266 567910118 /nfs/dbraw/zinc/91/01/18/567910118.db2.gz MTDTVLFJARAHLK-UHFFFAOYSA-N 0 0 271.747 3.738 50 0 CHAARN CC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000096373502 567910295 /nfs/dbraw/zinc/91/02/95/567910295.db2.gz PXWQPRQCBQCKFI-UHFFFAOYSA-N 0 0 267.044 3.671 50 0 CHAARN CC(C)c1nc(CN2CCCC[C@@H]2c2nccs2)co1 ZINC000097360189 567910356 /nfs/dbraw/zinc/91/03/56/567910356.db2.gz ULLUUVODSVOIHJ-CYBMUJFWSA-N 0 0 291.420 3.982 50 0 CHAARN COC(=O)c1ccc(-c2ccc(C=O)cc2)cc1Cl ZINC000097757093 567910787 /nfs/dbraw/zinc/91/07/87/567910787.db2.gz DIAOXNDRWOXORR-UHFFFAOYSA-N 0 0 274.703 3.606 50 0 CHAARN COC(=O)c1cc(F)cc(-c2ccccc2Cl)c1 ZINC000097757207 567910806 /nfs/dbraw/zinc/91/08/06/567910806.db2.gz YXUYWLFNZZNPRW-UHFFFAOYSA-N 0 0 264.683 3.933 50 0 CHAARN CCc1cc(C(=O)N2CCCCC[C@H]2c2ccco2)no1 ZINC000097604225 567910856 /nfs/dbraw/zinc/91/08/56/567910856.db2.gz RJEPFSUMXHCWRJ-AWEZNQCLSA-N 0 0 288.347 3.588 50 0 CHAARN COC(=O)c1ccc(-c2ccccc2F)cc1Cl ZINC000097757167 567910905 /nfs/dbraw/zinc/91/09/05/567910905.db2.gz GEMNSRXRAOMGNA-UHFFFAOYSA-N 0 0 264.683 3.933 50 0 CHAARN COC(=O)c1cc(F)cc(-c2cccc(Cl)c2)c1 ZINC000097757105 567911104 /nfs/dbraw/zinc/91/11/04/567911104.db2.gz DGJNAWXZRZEEDF-UHFFFAOYSA-N 0 0 264.683 3.933 50 0 CHAARN COCc1cc(/C=C/c2ccc(C(F)(F)F)cc2)ncn1 ZINC000097797571 567911251 /nfs/dbraw/zinc/91/12/51/567911251.db2.gz JUFPCFRAIOEWBK-QPJJXVBHSA-N 0 0 294.276 3.812 50 0 CHAARN O=Cc1cc(Cl)c(Cl)c(OC(F)(F)F)c1 ZINC000098210682 567911638 /nfs/dbraw/zinc/91/16/38/567911638.db2.gz WVHPYHZLTHPKHN-UHFFFAOYSA-N 0 0 259.010 3.705 50 0 CHAARN COc1cc(F)c(NCc2ccsc2)cc1OC ZINC000095448780 567912270 /nfs/dbraw/zinc/91/22/70/567912270.db2.gz WZGNTYQSANJUEV-UHFFFAOYSA-N 0 0 267.325 3.517 50 0 CHAARN CN1c2ccccc2[C@H](Cc2ccc(Cl)cc2)C1=O ZINC000101016352 567914511 /nfs/dbraw/zinc/91/45/11/567914511.db2.gz VFFMKUVVRPTKIX-AWEZNQCLSA-N 0 0 271.747 3.643 50 0 CHAARN NC(=O)[C@H](SCc1ccc(Cl)cc1)c1ccccc1 ZINC000014079651 567915353 /nfs/dbraw/zinc/91/53/53/567915353.db2.gz BKNOCQRALQSVTE-CQSZACIVSA-N 0 0 291.803 3.800 50 0 CHAARN FC(F)Sc1ncnc2sc3c(c21)CCCC3 ZINC000000125854 567923607 /nfs/dbraw/zinc/92/36/07/567923607.db2.gz RWKZMMORLIJIDT-UHFFFAOYSA-N 0 0 272.345 3.885 50 0 CHAARN Cc1sc2ncn(C)c(=O)c2c1-c1ccc(C)c(C)c1 ZINC000000149234 567923857 /nfs/dbraw/zinc/92/38/57/567923857.db2.gz DUPBIBPLOOYTJL-UHFFFAOYSA-N 0 0 284.384 3.587 50 0 CHAARN [O-][n+]1ccccc1SCc1cc(Cl)sc1Cl ZINC000000159671 567924097 /nfs/dbraw/zinc/92/40/97/567924097.db2.gz NRWTXDKJZDIDST-UHFFFAOYSA-N 0 0 292.212 3.981 50 0 CHAARN COc1ccc(N2C(=O)CS[C@H]2c2ccc(C)cc2)cc1 ZINC000000179993 567924321 /nfs/dbraw/zinc/92/43/21/567924321.db2.gz BUKAIDBJMOWTSH-KRWDZBQOSA-N 0 0 299.395 3.782 50 0 CHAARN COc1ccc(-n2c(C)ccc2-c2ccccc2)cn1 ZINC000000181426 567924564 /nfs/dbraw/zinc/92/45/64/567924564.db2.gz RZEWICLMMHSCJX-UHFFFAOYSA-N 0 0 264.328 3.856 50 0 CHAARN CCc1nc2scc(-c3cccs3)c2c(=O)o1 ZINC000000186156 567924669 /nfs/dbraw/zinc/92/46/69/567924669.db2.gz RYECSJPTPDCARF-UHFFFAOYSA-N 0 0 263.343 3.540 50 0 CHAARN O=C(Nc1ccccc1)N1CCCC[C@H]1c1cccnc1 ZINC000000205575 567924932 /nfs/dbraw/zinc/92/49/32/567924932.db2.gz VEOMAYPGEUGWOU-INIZCTEOSA-N 0 0 281.359 3.841 50 0 biogenic CHAARN CC(C)(C)c1ccc2[nH]c3c(c2c1)CCC[C@H]3NC=O ZINC000000206989 567924968 /nfs/dbraw/zinc/92/49/68/567924968.db2.gz HKWMHZGILCXXHJ-OAHLLOKOSA-N 0 0 270.376 3.589 50 0 CHAARN Cc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000000239119 567925286 /nfs/dbraw/zinc/92/52/86/567925286.db2.gz XVYBNRFPCMXDQG-UHFFFAOYSA-N 0 0 297.379 3.949 50 0 CHAARN O=C(Oc1ccc(Cl)c2cccnc12)c1ccncc1 ZINC000000234900 567925342 /nfs/dbraw/zinc/92/53/42/567925342.db2.gz WAUCPEVPURHOAP-UHFFFAOYSA-N 0 0 284.702 3.502 50 0 CHAARN O=C(c1cc2ccccc2o1)N1CCc2ccccc21 ZINC000000272979 567926090 /nfs/dbraw/zinc/92/60/90/567926090.db2.gz NWLAYUVGWMPNSG-UHFFFAOYSA-N 0 0 263.296 3.636 50 0 in-vivo CHAARN c1ccc2cc(C[NH2+]Cc3ccc4c(c3)OCO4)ccc2c1 ZINC000000275586 567926135 /nfs/dbraw/zinc/92/61/35/567926135.db2.gz TZZVGIJLPKBTPD-UHFFFAOYSA-N 0 0 291.350 3.858 50 0 CHAARN CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(Cl)s1 ZINC000023993842 567926875 /nfs/dbraw/zinc/92/68/75/567926875.db2.gz VXBFHTFNJXCAEA-VIFPVBQESA-N 0 0 295.857 3.505 50 0 CHAARN COc1ccc(/C=C/C(=O)Oc2cccc(C)c2)cc1 ZINC000000315668 567926895 /nfs/dbraw/zinc/92/68/95/567926895.db2.gz VMKCIGQYQDDDMW-DHZHZOJOSA-N 0 0 268.312 3.622 50 0 CHAARN CSc1cccc(NC=C2OC(=O)c3ccccc32)c1 ZINC000100381234 567927397 /nfs/dbraw/zinc/92/73/97/567927397.db2.gz YJFZJVMSMWFGDC-GDNBJRDFSA-N 0 0 283.352 3.989 50 0 CHAARN Cc1c(-c2ccc(C)cc2)nn2c1[nH]c1c(c2=O)CCCC1 ZINC000100583670 567928149 /nfs/dbraw/zinc/92/81/49/567928149.db2.gz HLTUDIHEFGIRAP-UHFFFAOYSA-N 0 0 293.370 3.598 50 0 CHAARN O=C(Nc1nc(-c2cccs2)ns1)c1ccccc1 ZINC000011914346 567928725 /nfs/dbraw/zinc/92/87/25/567928725.db2.gz VFSXHTPRXIQTPM-UHFFFAOYSA-N 0 0 287.369 3.519 50 0 CHAARN Cc1noc(CSc2ccc3ccccc3c2)n1 ZINC000073433462 567928800 /nfs/dbraw/zinc/92/88/00/567928800.db2.gz YHWHCMUBFJJFBN-UHFFFAOYSA-N 0 0 256.330 3.824 50 0 CHAARN O=C(c1ccco1)N(Cc1ccc(F)cc1)c1ccccn1 ZINC000011914621 567928939 /nfs/dbraw/zinc/92/89/39/567928939.db2.gz OYOIKRKWEQAVFO-UHFFFAOYSA-N 0 0 296.301 3.661 50 0 CHAARN O=C1CS[C@H](c2ccccc2)N1c1ccccc1F ZINC000000424035 567930590 /nfs/dbraw/zinc/93/05/90/567930590.db2.gz RTPFYTYWAQPLDH-OAHLLOKOSA-N 0 0 273.332 3.604 50 0 CHAARN O=C(NC1CC1)c1cc(-c2cccs2)nc2ccccc21 ZINC000000433162 567930697 /nfs/dbraw/zinc/93/06/97/567930697.db2.gz HIWHZOGXOUBJDO-UHFFFAOYSA-N 0 0 294.379 3.856 50 0 CHAARN Cc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1 ZINC000000430136 567930820 /nfs/dbraw/zinc/93/08/20/567930820.db2.gz BMRJRQLBPDFSIO-WJDWOHSUSA-N 0 0 277.323 3.648 50 0 CHAARN Cc1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1 ZINC000000227545 567930939 /nfs/dbraw/zinc/93/09/39/567930939.db2.gz JQBGOJBRVHKDTB-UHFFFAOYSA-N 0 0 296.395 3.634 50 0 CHAARN O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1 ZINC000000177056 567931688 /nfs/dbraw/zinc/93/16/88/567931688.db2.gz GIHHWZDCEABATP-UVTDQMKNSA-N 0 0 283.714 3.685 50 0 CHAARN O=C(c1ccccc1)N(Cc1ccco1)Cc1ccccn1 ZINC000062018003 567931841 /nfs/dbraw/zinc/93/18/41/567931841.db2.gz JTDPDNAJCLJLAQ-UHFFFAOYSA-N 0 0 292.338 3.517 50 0 CHAARN Cc1ccc(CNC(=O)Nc2cc(C)ccc2C)cc1 ZINC000016551425 567933320 /nfs/dbraw/zinc/93/33/20/567933320.db2.gz XHOBTZASAWBFEE-UHFFFAOYSA-N 0 0 268.360 3.934 50 0 CHAARN Clc1ccc(OCc2nc([C@@H]3CCOC3)cs2)cc1 ZINC000273917724 567933536 /nfs/dbraw/zinc/93/35/36/567933536.db2.gz QALQYVHHQRAUCG-SNVBAGLBSA-N 0 0 295.791 3.879 50 0 CHAARN CCOc1ccccc1NC(=O)[C@@H](C)c1ccccc1 ZINC000000475899 567934333 /nfs/dbraw/zinc/93/43/33/567934333.db2.gz GILNCGJOKNAIRF-ZDUSSCGKSA-N 0 0 269.344 3.828 50 0 CHAARN C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCCCC4)cc3c2C1 ZINC000017305555 567935127 /nfs/dbraw/zinc/93/51/27/567935127.db2.gz FPJGPWAXERGPQC-ZDUSSCGKSA-N 0 0 296.414 3.919 50 0 CHAARN O=[N+]([O-])c1ccccc1C=NNc1cccc2cccnc21 ZINC000017206798 567935156 /nfs/dbraw/zinc/93/51/56/567935156.db2.gz SMZINQUKPSMFAS-UHFFFAOYSA-N 0 0 292.298 3.589 50 0 CHAARN C[C@@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000017323623 567935176 /nfs/dbraw/zinc/93/51/76/567935176.db2.gz UCTUCVISRDTLRK-SNVBAGLBSA-N 0 0 277.726 3.970 50 0 CHAARN Cc1ccc(NCc2nc(-c3ccccc3)no2)cc1 ZINC000000200210 567935408 /nfs/dbraw/zinc/93/54/08/567935408.db2.gz KIMXFVGWOCGAHE-UHFFFAOYSA-N 0 0 265.316 3.657 50 0 CHAARN O=C(Nc1ccncc1)c1cc(F)c(Cl)cc1Cl ZINC000017585628 567935436 /nfs/dbraw/zinc/93/54/36/567935436.db2.gz FZAUYFPFACEDHB-UHFFFAOYSA-N 0 0 285.105 3.780 50 0 CHAARN Cc1cc(C)cc(OCC(=O)NC2CCCCCC2)c1 ZINC000000308123 567935789 /nfs/dbraw/zinc/93/57/89/567935789.db2.gz GFJQJXZPOSNDSS-UHFFFAOYSA-N 0 0 275.392 3.521 50 0 CHAARN O=C(Nc1cccc2ccccc21)c1ccc2c(c1)OCO2 ZINC000000368225 567935944 /nfs/dbraw/zinc/93/59/44/567935944.db2.gz GPDMEQJYROEFAU-UHFFFAOYSA-N 0 0 291.306 3.821 50 0 CHAARN COc1ccc(C[C@@H](C)Nc2cccc(F)c2)cc1 ZINC000000433368 567936181 /nfs/dbraw/zinc/93/61/81/567936181.db2.gz WHCOKSZGDZLLSL-GFCCVEGCSA-N 0 0 259.324 3.877 50 0 CHAARN CCC(=O)Nc1ccc(C)c(NC(=O)c2ccccc2)c1 ZINC000000444626 567936276 /nfs/dbraw/zinc/93/62/76/567936276.db2.gz XIPJNSPPNOZSKG-UHFFFAOYSA-N 0 0 282.343 3.596 50 0 CHAARN CCNC(=O)Oc1c(C)cc(Cl)cc1Br ZINC000000397750 567936306 /nfs/dbraw/zinc/93/63/06/567936306.db2.gz RASHLCLKLCJACO-UHFFFAOYSA-N 0 0 292.560 3.519 50 0 CHAARN CCc1ccc2c(Cl)c(C(=O)OC)sc2c1 ZINC000000484473 567936344 /nfs/dbraw/zinc/93/63/44/567936344.db2.gz PIQBTJSKILMPFB-UHFFFAOYSA-N 0 0 254.738 3.904 50 0 CHAARN O=C(Nc1cccc2cccnc21)c1cccnc1Cl ZINC000000556516 567936517 /nfs/dbraw/zinc/93/65/17/567936517.db2.gz BTMQSOVKVAUICN-UHFFFAOYSA-N 0 0 283.718 3.536 50 0 CHAARN O=C(Nc1ccccc1OC(F)(F)F)c1ccccc1F ZINC000000457435 567936657 /nfs/dbraw/zinc/93/66/57/567936657.db2.gz QHTLODOLURIKQP-UHFFFAOYSA-N 0 0 299.223 3.977 50 0 CHAARN CC[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1ccc(C)cc1 ZINC000017841598 567937310 /nfs/dbraw/zinc/93/73/10/567937310.db2.gz JPFHHWSZQMJMDY-GOSISDBHSA-N 0 0 296.414 3.942 50 0 CHAARN BrC1(Br)[C@@H]2CCC=CCC[C@@H]21 ZINC000001765159 567937429 /nfs/dbraw/zinc/93/74/29/567937429.db2.gz STKCBSOKXZTMOU-OCAPTIKFSA-N 0 0 280.003 3.849 50 0 CHAARN CC(=O)c1cccc(NC(=O)Nc2cc(F)ccc2F)c1 ZINC000002167771 567937586 /nfs/dbraw/zinc/93/75/86/567937586.db2.gz OCRHVMVDPYHFRB-UHFFFAOYSA-N 0 0 290.269 3.811 50 0 CHAARN C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1cccc(Cl)c1 ZINC000017908530 567937652 /nfs/dbraw/zinc/93/76/52/567937652.db2.gz CQVUAZBLDKMSQK-JTQLQIEISA-N 0 0 299.761 3.707 50 0 CHAARN Cc1sc(N)nc1-c1ccccc1C(F)(F)F ZINC000189757115 567939207 /nfs/dbraw/zinc/93/92/07/567939207.db2.gz 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/nfs/dbraw/zinc/94/24/50/567942450.db2.gz YGVRZPDPDDFDLR-UHFFFAOYSA-N 0 0 292.121 3.794 50 0 CHAARN CC(C)[C@@H](CCN1C(=O)c2ccccc2C1=O)c1ccco1 ZINC000000532176 567942578 /nfs/dbraw/zinc/94/25/78/567942578.db2.gz QPVNLIQYNOWGTK-CYBMUJFWSA-N 0 0 297.354 3.706 50 0 CHAARN CC(=O)Nc1ccc2c(c1)CN(c1cc(C)ccc1C)CO2 ZINC000000543076 567942870 /nfs/dbraw/zinc/94/28/70/567942870.db2.gz KLTXBHKGHULBML-UHFFFAOYSA-N 0 0 296.370 3.618 50 0 CHAARN Cc1cc(C)n([C@@H]2CCCC[C@H]2OC(=O)c2ccccc2)n1 ZINC000000552184 567943056 /nfs/dbraw/zinc/94/30/56/567943056.db2.gz HERYUPICABEHNB-IAGOWNOFSA-N 0 0 298.386 3.841 50 0 CHAARN CC(=O)c1ccc(NC(=O)c2ccc(C)cc2C)cc1 ZINC000000558010 567943257 /nfs/dbraw/zinc/94/32/57/567943257.db2.gz WZTQTPMJDREASF-UHFFFAOYSA-N 0 0 267.328 3.758 50 0 CHAARN C[C@H](NC(=O)c1ccoc1)c1ccc(OC(F)(F)F)cc1 ZINC000046736268 567943798 /nfs/dbraw/zinc/94/37/98/567943798.db2.gz PEQDCWFGJKMNFL-VIFPVBQESA-N 0 0 299.248 3.669 50 0 CHAARN CCOc1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000000578061 567944149 /nfs/dbraw/zinc/94/41/49/567944149.db2.gz HEFNKFQNLPOJCO-UHFFFAOYSA-N 0 0 287.384 3.816 50 0 CHAARN CCOc1ccccc1NC(=O)c1cc(Cl)ccc1N ZINC000019398607 567944786 /nfs/dbraw/zinc/94/47/86/567944786.db2.gz RMIKUSKMRNSTSC-UHFFFAOYSA-N 0 0 290.750 3.573 50 0 CHAARN CCn1c2ccc(Cl)cc2s/c1=N/C(=O)C(C)(C)C ZINC000012180833 567945705 /nfs/dbraw/zinc/94/57/05/567945705.db2.gz NAHMERCSKSLLBS-DTQAZKPQSA-N 0 0 296.823 3.850 50 0 CHAARN CNC(=O)N(Cc1ccc(C)cc1)[C@@H]1CCc2ccccc21 ZINC000048299703 567946330 /nfs/dbraw/zinc/94/63/30/567946330.db2.gz VZUCCUMEXYNVSD-GOSISDBHSA-N 0 0 294.398 3.824 50 0 CHAARN CCc1ccccc1NC(=O)N(C)Cc1ccc(O)cc1 ZINC000048312062 567946393 /nfs/dbraw/zinc/94/63/93/567946393.db2.gz CWOHTZSAQXPBJQ-UHFFFAOYSA-N 0 0 284.359 3.619 50 0 CHAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Nc1ccncc1 ZINC000048954680 567946636 /nfs/dbraw/zinc/94/66/36/567946636.db2.gz KNZZOKKKYNSMSB-VHDGCEQUSA-N 0 0 275.396 3.664 50 0 CHAARN CNc1nc2c(s1)[C@H](c1ccc(Cl)cc1)CC(=O)N2 ZINC000049545611 567946725 /nfs/dbraw/zinc/94/67/25/567946725.db2.gz YQFHQWUXJFAAKM-VIFPVBQESA-N 0 0 293.779 3.962 50 0 CHAARN Cc1n[nH]cc1NC(=O)c1sccc1-c1ccccc1 ZINC000049476533 567946793 /nfs/dbraw/zinc/94/67/93/567946793.db2.gz FIBKPJXSZISLTR-UHFFFAOYSA-N 0 0 283.356 3.699 50 0 CHAARN O=C(NCc1ccoc1)N(CC1CC1)C1CCCCC1 ZINC000069816160 567947338 /nfs/dbraw/zinc/94/73/38/567947338.db2.gz IIDLUPPOUPDKAB-UHFFFAOYSA-N 0 0 276.380 3.534 50 0 CHAARN CO[C@@H](C)c1ccc(-c2nc(C)nc(C)c2C)cc1 ZINC000216195543 567947487 /nfs/dbraw/zinc/94/74/87/567947487.db2.gz XARQKXQNPJXNNO-LBPRGKRZSA-N 0 0 256.349 3.776 50 0 CHAARN C/C(=C1/N=C(c2ccccc2)OC1=O)c1cccc(C)c1 ZINC000218645993 567948126 /nfs/dbraw/zinc/94/81/26/567948126.db2.gz JNDGJFPVYQNXTF-SSZFMOIBSA-N 0 0 277.323 3.730 50 0 CHAARN COc1ccccc1[C@H]1Nc2ccccc2-c2cc(C)nn21 ZINC000000817657 567948200 /nfs/dbraw/zinc/94/82/00/567948200.db2.gz KUCSTLVXRPAHNG-SFHVURJKSA-N 0 0 291.354 3.840 50 0 CHAARN CCOC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C ZINC000032901767 567948747 /nfs/dbraw/zinc/94/87/47/567948747.db2.gz MSIQTHXECFQSKN-UHFFFAOYSA-N 0 0 292.404 3.782 50 0 CHAARN Cc1nc2ccccc2n1Cc1noc(-c2ccsc2)n1 ZINC000225502378 567953582 /nfs/dbraw/zinc/95/35/82/567953582.db2.gz SSHVMMPSLYGBJT-UHFFFAOYSA-N 0 0 296.355 3.505 50 0 CHAARN COc1ccc(CNc2nc3c(cccc3F)o2)cc1 ZINC000225591822 567954102 /nfs/dbraw/zinc/95/41/02/567954102.db2.gz CACKATGOWMCJAG-UHFFFAOYSA-N 0 0 272.279 3.588 50 0 CHAARN CC(C)=CC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000030468039 567955180 /nfs/dbraw/zinc/95/51/80/567955180.db2.gz JANHDSNGHZYQTB-SNVBAGLBSA-N 0 0 282.181 3.593 50 0 CHAARN C[C@H]1CCC[C@@H](NC(=O)CCc2c[nH]c3ccccc23)C1 ZINC000032031341 567955834 /nfs/dbraw/zinc/95/58/34/567955834.db2.gz WSZZAOSAGCQOJG-DZGCQCFKSA-N 0 0 284.403 3.795 50 0 CHAARN CC(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000096654334 567956271 /nfs/dbraw/zinc/95/62/71/567956271.db2.gz BYJDLDCBQRPYPG-UHFFFAOYSA-N 0 0 291.709 3.934 50 0 CHAARN C[C@@H](Nc1ncnc2sccc21)c1cccc(O)c1 ZINC000058298232 567956308 /nfs/dbraw/zinc/95/63/08/567956308.db2.gz GCXIAPCECYFNII-SECBINFHSA-N 0 0 271.345 3.570 50 0 CHAARN Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)o1 ZINC000016990629 570225932 /nfs/dbraw/zinc/22/59/32/570225932.db2.gz NFMWRTSTDGZMMI-CHWSQXEVSA-N 0 0 263.381 3.923 50 0 CHAARN Brc1cnc(SC2CCCCC2)nc1 ZINC000065337510 570244043 /nfs/dbraw/zinc/24/40/43/570244043.db2.gz LWKBPXULGUZFPU-UHFFFAOYSA-N 0 0 273.199 3.664 50 0 CHAARN Cc1nc2nc(Cl)ccc2c(C)c1Br ZINC000011612409 570219821 /nfs/dbraw/zinc/21/98/21/570219821.db2.gz PDIAQTYGDVPIQQ-UHFFFAOYSA-N 0 0 271.545 3.663 50 0 CHAARN CCCSCC(=O)Nc1ccccc1C(C)C ZINC000001910755 570214459 /nfs/dbraw/zinc/21/44/59/570214459.db2.gz YWPZZIMGSANYSP-UHFFFAOYSA-N 0 0 251.395 3.892 50 0 CHAARN Cc1oc(-c2ccsc2)nc1CN[C@H](C)c1ccncc1 ZINC000097370641 570218477 /nfs/dbraw/zinc/21/84/77/570218477.db2.gz IEBVFHCFNSACSN-LLVKDONJSA-N 0 0 299.399 3.957 50 0 CHAARN Cc1ccc(C(=O)CNc2cccc(Cl)c2)cc1 ZINC000000287441 570218633 /nfs/dbraw/zinc/21/86/33/570218633.db2.gz VSOAYRFQTKQDCE-UHFFFAOYSA-N 0 0 259.736 3.943 50 0 CHAARN O=c1[nH]nc(-c2cccs2)cc1CC1CCCCC1 ZINC000011329207 570219736 /nfs/dbraw/zinc/21/97/36/570219736.db2.gz KOEDTZOPEJRZES-UHFFFAOYSA-N 0 0 274.389 3.621 50 0 CHAARN CCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccco1 ZINC000011667379 570220278 /nfs/dbraw/zinc/22/02/78/570220278.db2.gz SJHKNPHXWVKYCK-GFCCVEGCSA-N 0 0 297.358 3.530 50 0 CHAARN C[C@H]1CCCCN1c1nc(Cl)nc2ccccc21 ZINC000011756895 570220287 /nfs/dbraw/zinc/22/02/87/570220287.db2.gz JQLXXFZWEZHAIS-JTQLQIEISA-N 0 0 261.756 3.662 50 0 CHAARN C[C@@H](NCc1nc(C(C)(C)C)no1)c1ccccc1Cl ZINC000032755604 570221882 /nfs/dbraw/zinc/22/18/82/570221882.db2.gz NHJYIQBPWWDZQE-SNVBAGLBSA-N 0 0 293.798 3.871 50 0 CHAARN Cc1cc(C(=O)CSc2cnc3ccccc3n2)c(C)[nH]1 ZINC000032778388 570223038 /nfs/dbraw/zinc/22/30/38/570223038.db2.gz VDDJMALEZJWDKJ-UHFFFAOYSA-N 0 0 297.383 3.550 50 0 CHAARN C[C@H](CCc1ccco1)NC(=O)N(C)Cc1ccsc1 ZINC000032795203 570223472 /nfs/dbraw/zinc/22/34/72/570223472.db2.gz WBDWLPCZTQYYDQ-GFCCVEGCSA-N 0 0 292.404 3.504 50 0 CHAARN CCCCCNC(=O)Nc1ccc(C)cc1Cl ZINC000032862274 570224933 /nfs/dbraw/zinc/22/49/33/570224933.db2.gz HHJITPCBVXDHSL-UHFFFAOYSA-N 0 0 254.761 3.960 50 0 CHAARN CN(Cc1cccs1)C(=O)c1ccc2ncsc2c1 ZINC000024838115 570228374 /nfs/dbraw/zinc/22/83/74/570228374.db2.gz ADKZQFVEGZICJA-UHFFFAOYSA-N 0 0 288.397 3.630 50 0 CHAARN O=C(NCCc1ccc(Cl)cc1)NC1CCCCCC1 ZINC000024865645 570228239 /nfs/dbraw/zinc/22/82/39/570228239.db2.gz DZHDBSRDTLERSZ-UHFFFAOYSA-N 0 0 294.826 3.905 50 0 CHAARN Cc1nc2scc(-c3ccccc3)c2c(N2CCC2)n1 ZINC000025062359 570229378 /nfs/dbraw/zinc/22/93/78/570229378.db2.gz GIYFOOUZWHNPPW-UHFFFAOYSA-N 0 0 281.384 3.877 50 0 CHAARN CC(C)N1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000026507665 570232285 /nfs/dbraw/zinc/23/22/85/570232285.db2.gz ITAVVPWYVVCAQC-UHFFFAOYSA-N 0 0 273.361 3.634 50 0 CHAARN C[C@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000036025260 570233211 /nfs/dbraw/zinc/23/32/11/570233211.db2.gz KRIROHZWSALYAG-DACLVMHWSA-N 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GVCKDWUYAIUVJO-OAHLLOKOSA-N 0 0 286.419 3.670 50 0 CHAARN CCc1cc([C@@H]2CCCN2C(=O)Nc2ccccc2)on1 ZINC000064984966 570243607 /nfs/dbraw/zinc/24/36/07/570243607.db2.gz ADDMPRINKDFGJJ-AWEZNQCLSA-N 0 0 285.347 3.606 50 0 CHAARN Ic1cccc(-c2ccccc2)c1 ZINC000066055212 570245129 /nfs/dbraw/zinc/24/51/29/570245129.db2.gz KAQUBIATNWQNRE-UHFFFAOYSA-N 0 0 280.108 3.958 50 0 CHAARN C(=C/c1ccnc(Nc2ccccc2)n1)\c1ccco1 ZINC000067320904 570246366 /nfs/dbraw/zinc/24/63/66/570246366.db2.gz ZCKVPXYNTVFCSR-CMDGGOBGSA-N 0 0 263.300 3.984 50 0 CHAARN O=C(Cc1ccccc1)c1ccc(-c2cc[nH]n2)cc1 ZINC000067433985 570246370 /nfs/dbraw/zinc/24/63/70/570246370.db2.gz UETMLGGFHBSFMY-UHFFFAOYSA-N 0 0 262.312 3.502 50 0 CHAARN Cc1nccc(-c2cccc(NC(=O)C[C@H]3C=CCC3)c2)n1 ZINC000033124911 570247838 /nfs/dbraw/zinc/24/78/38/570247838.db2.gz LRQDMPUNYDEURK-AWEZNQCLSA-N 0 0 293.370 3.747 50 0 CHAARN CC(C)(C)c1ccccc1I ZINC000070569869 570248891 /nfs/dbraw/zinc/24/88/91/570248891.db2.gz MMFGMLZMUNVLHD-UHFFFAOYSA-N 0 0 260.118 3.589 50 0 CHAARN Fc1cc(OCC(F)(F)F)ccc1Br ZINC000083576946 570252760 /nfs/dbraw/zinc/25/27/60/570252760.db2.gz QGHIFKJADBMTDZ-UHFFFAOYSA-N 0 0 273.023 3.529 50 0 CHAARN Oc1ccccc1-c1csc(-c2cccnc2)n1 ZINC000084846927 570253453 /nfs/dbraw/zinc/25/34/53/570253453.db2.gz UZIQCKWDELLOOL-UHFFFAOYSA-N 0 0 254.314 3.578 50 0 CHAARN O=C(NCc1ccc(C2CC2)nc1)c1ccccc1Cl ZINC000585150147 570253863 /nfs/dbraw/zinc/25/38/63/570253863.db2.gz HSHODGQSMOSCRQ-UHFFFAOYSA-N 0 0 286.762 3.542 50 0 CHAARN Cc1ccc(C)c(C=Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000033462659 570267040 /nfs/dbraw/zinc/26/70/40/570267040.db2.gz YBZICWBAHJOFND-KTKRTIGZSA-N 0 0 276.339 3.710 50 0 CHAARN CCCn1cc(NC(=O)c2ccc(C3CCC3)cc2)cn1 ZINC000252478772 570270261 /nfs/dbraw/zinc/27/02/61/570270261.db2.gz AUXSGLMHTRZZRI-UHFFFAOYSA-N 0 0 283.375 3.813 50 0 CHAARN O=C(Cc1cccs1)Nc1cccc(Br)c1 ZINC000000443632 570271356 /nfs/dbraw/zinc/27/13/56/570271356.db2.gz YMAFSYQELHCYRM-UHFFFAOYSA-N 0 0 296.189 3.692 50 0 CHAARN Cc1ccc2scc(N3CCC[C@H](C)C3)c(=O)c2c1 ZINC000005202430 570272424 /nfs/dbraw/zinc/27/24/24/570272424.db2.gz OEWBOHUVVIQZAF-LBPRGKRZSA-N 0 0 273.401 3.806 50 0 CHAARN CCCC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000080461515 570272902 /nfs/dbraw/zinc/27/29/02/570272902.db2.gz NELSPFIULOTYEV-ZDUSSCGKSA-N 0 0 268.360 3.726 50 0 CHAARN COc1ccccc1[C@@H](C)S[C@H](C)c1nnc(C)o1 ZINC000079010744 570273028 /nfs/dbraw/zinc/27/30/28/570273028.db2.gz NIQYBBAGAAUXSB-NXEZZACHSA-N 0 0 278.377 3.942 50 0 CHAARN CCO[C@@H](C)c1nc(-c2ccc(NC(C)=O)cc2)cs1 ZINC000078936189 570273046 /nfs/dbraw/zinc/27/30/46/570273046.db2.gz GFKHUOLLOFMFLB-JTQLQIEISA-N 0 0 290.388 3.866 50 0 CHAARN CCc1cccc(C)c1NC(=O)CNc1ccccc1C ZINC000003340190 570275272 /nfs/dbraw/zinc/27/52/72/570275272.db2.gz FDKMCFLNMJEECZ-UHFFFAOYSA-N 0 0 282.387 3.916 50 0 CHAARN CC(C)(C)c1ccccc1OCCCn1ccnc1 ZINC000002497161 570277629 /nfs/dbraw/zinc/27/76/29/570277629.db2.gz FJRGRCYACAJMGH-UHFFFAOYSA-N 0 0 258.365 3.650 50 0 CHAARN CCOc1ccc(NC(=O)c2ccc(CC)cc2)cc1 ZINC000003483064 570279192 /nfs/dbraw/zinc/27/91/92/570279192.db2.gz OPPDPMLTYNHKIM-UHFFFAOYSA-N 0 0 269.344 3.900 50 0 CHAARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1 ZINC000003602909 570279327 /nfs/dbraw/zinc/27/93/27/570279327.db2.gz TYZMFTNHVKOENC-LLVKDONJSA-N 0 0 275.735 3.746 50 0 CHAARN Cc1nccc(NC(=O)c2ccc3ccccc3n2)c1Cl ZINC000163879381 570279574 /nfs/dbraw/zinc/27/95/74/570279574.db2.gz SRJXTVKBMDVRLO-UHFFFAOYSA-N 0 0 297.745 3.844 50 0 CHAARN CC[C@@H](C)Nc1nc(-c2ccccn2)nc2ccccc21 ZINC000000533452 570286752 /nfs/dbraw/zinc/28/67/52/570286752.db2.gz UKHAMZBIMNTOHU-GFCCVEGCSA-N 0 0 278.359 3.902 50 0 CHAARN O=C(c1cnc2ccc(Cl)cc2c1Cl)N1CCCC1 ZINC000075490562 570289397 /nfs/dbraw/zinc/28/93/97/570289397.db2.gz OZKQUWMFXBKOKX-UHFFFAOYSA-N 0 0 295.169 3.778 50 0 CHAARN O=C(C[C@H]1CCCO1)N[C@H](c1cccs1)C1CCCC1 ZINC000047110380 570290743 /nfs/dbraw/zinc/29/07/43/570290743.db2.gz SFXUUZPDRXCBQE-CJNGLKHVSA-N 0 0 293.432 3.665 50 0 CHAARN CC(C)(C)CCNC(=O)c1[nH]c2ccccc2c1Cl ZINC000049216203 570300339 /nfs/dbraw/zinc/30/03/39/570300339.db2.gz DFNRCTFWYWFSFL-UHFFFAOYSA-N 0 0 278.783 3.987 50 0 CHAARN COc1ncccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000047554193 570292404 /nfs/dbraw/zinc/29/24/04/570292404.db2.gz YVMUMFCQRQPVNL-UHFFFAOYSA-N 0 0 297.141 3.649 50 0 CHAARN CN(c1nnc(C(F)F)o1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000298856637 570292583 /nfs/dbraw/zinc/29/25/83/570292583.db2.gz JGILGTCNPVVVFK-RYUDHWBXSA-N 0 0 293.317 3.780 50 0 CHAARN Cc1ccc([C@H](C)N(C)C(=O)Nc2cccnc2)s1 ZINC000044972837 570294564 /nfs/dbraw/zinc/29/45/64/570294564.db2.gz KHPGVCSHXPAHRY-NSHDSACASA-N 0 0 275.377 3.676 50 0 CHAARN O=C(C[C@@H]1C=CCC1)Nc1cccc(OC(F)F)c1 ZINC000048259120 570296522 /nfs/dbraw/zinc/29/65/22/570296522.db2.gz RPQCEOBOXQVXEB-SNVBAGLBSA-N 0 0 267.275 3.583 50 0 CHAARN Cc1cccc2sc(NC(=O)CC[C@@H]3CCCO3)nc21 ZINC000048274288 570296955 /nfs/dbraw/zinc/29/69/55/570296955.db2.gz IGIPJYSFVGHQGJ-NSHDSACASA-N 0 0 290.388 3.502 50 0 CHAARN CN(C)C(=O)c1ccccc1SCc1ccsc1 ZINC000048324453 570297150 /nfs/dbraw/zinc/29/71/50/570297150.db2.gz SRIPHYNUPSRFDY-UHFFFAOYSA-N 0 0 277.414 3.742 50 0 CHAARN C[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000048325082 570297193 /nfs/dbraw/zinc/29/71/93/570297193.db2.gz FARYUCXMWIKSGX-SMDDNHRTSA-N 0 0 299.336 3.943 50 0 CHAARN O=C(N[C@@H]1CCc2ccccc21)c1ccc2ccccc2n1 ZINC000048325493 570297264 /nfs/dbraw/zinc/29/72/64/570297264.db2.gz XALMKQKEFRZCMI-QGZVFWFLSA-N 0 0 288.350 3.652 50 0 CHAARN COC(=O)c1ccc([C@H](C)Sc2nc(C)cs2)o1 ZINC000048331545 570297503 /nfs/dbraw/zinc/29/75/03/570297503.db2.gz YLJXKKUFBBWOOQ-QMMMGPOBSA-N 0 0 283.374 3.684 50 0 CHAARN COCc1ccccc1CNC(=O)Nc1c(C)cccc1C ZINC000048343883 570297724 /nfs/dbraw/zinc/29/77/24/570297724.db2.gz CJDZGZAXJPFGQS-UHFFFAOYSA-N 0 0 298.386 3.772 50 0 CHAARN COCCn1c2ccccc2nc1-c1cc(C)c(O)c(C)c1 ZINC000048880394 570299481 /nfs/dbraw/zinc/29/94/81/570299481.db2.gz ULNPOJBYTYZFDU-UHFFFAOYSA-N 0 0 296.370 3.672 50 0 CHAARN Cc1cc([C@H](C)NC(=O)Nc2cccnc2Cl)c(C)o1 ZINC000049396082 570300345 /nfs/dbraw/zinc/30/03/45/570300345.db2.gz QIDNJCANZMJDHP-VIFPVBQESA-N 0 0 293.754 3.828 50 0 CHAARN Clc1ccccc1CCNc1ncnc2sccc21 ZINC000049390268 570300405 /nfs/dbraw/zinc/30/04/05/570300405.db2.gz ZQJWZLWIPPPURF-UHFFFAOYSA-N 0 0 289.791 3.999 50 0 CHAARN Cc1ccc(-c2noc([C@H]3COc4ccccc4O3)n2)cc1 ZINC000012274839 570301776 /nfs/dbraw/zinc/30/17/76/570301776.db2.gz FYBIEGAOLOQCDP-OAHLLOKOSA-N 0 0 294.310 3.558 50 0 CHAARN CN(Cc1ccc([C@H]2CCCCO2)o1)Cc1nccs1 ZINC000215367261 570302999 /nfs/dbraw/zinc/30/29/99/570302999.db2.gz VLLIKDWPOQKMIB-CYBMUJFWSA-N 0 0 292.404 3.610 50 0 CHAARN CCC(CC)c1nnc(NC(=O)c2ccc(F)cc2)s1 ZINC000000804641 570309472 /nfs/dbraw/zinc/30/94/72/570309472.db2.gz GOKLPYHWVPDAJC-UHFFFAOYSA-N 0 0 293.367 3.833 50 0 CHAARN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2cccs2)o1 ZINC000032204985 570310940 /nfs/dbraw/zinc/31/09/40/570310940.db2.gz QBMHUNCNDLRRIP-VSACJYGBSA-N 0 0 287.384 3.794 50 0 CHAARN COc1cccc2cc(/C=C(\C)c3cnccn3)oc21 ZINC000221884710 570311707 /nfs/dbraw/zinc/31/17/07/570311707.db2.gz NHAGXPUIIYEJPK-DHZHZOJOSA-N 0 0 266.300 3.792 50 0 CHAARN O=C(Nc1nnc(/C=C\c2ccccc2)s1)c1ccco1 ZINC000033400461 570312177 /nfs/dbraw/zinc/31/21/77/570312177.db2.gz VHKZQKMURKDWFP-HJWRWDBZSA-N 0 0 297.339 3.554 50 0 CHAARN CCN(CC1CCOCC1)C(=O)c1ccc(Cl)c(C)c1 ZINC000223901514 570313735 /nfs/dbraw/zinc/31/37/35/570313735.db2.gz SAUWNQJXPAMDHS-UHFFFAOYSA-N 0 0 295.810 3.537 50 0 CHAARN CNc1nc(Nc2ccccc2C)nc2ccccc21 ZINC000041146510 570316367 /nfs/dbraw/zinc/31/63/67/570316367.db2.gz KVTJUGGCPKMASF-UHFFFAOYSA-N 0 0 264.332 3.724 50 0 CHAARN C[C@]12CCC(=O)N1c1ccccc1-c1nc3ccccc3n12 ZINC000685944048 570318731 /nfs/dbraw/zinc/31/87/31/570318731.db2.gz YJYIQRAHZBFBAG-SFHVURJKSA-N 0 0 289.338 3.516 50 0 CHAARN CC1=C(CC[C@@]2(C)OC(=O)N(C)[C@]2(C)O)C(C)(C)CCC1 ZINC000001025476 570323894 /nfs/dbraw/zinc/32/38/94/570323894.db2.gz DZOGJWVBHKHVCK-IAGOWNOFSA-N 0 0 295.423 3.842 50 0 CHAARN CCn1c(C(=O)Nc2cc(C(C)C)[nH]n2)cc2ccccc21 ZINC000063111686 570325717 /nfs/dbraw/zinc/32/57/17/570325717.db2.gz WTRDTRMLOYIRGE-UHFFFAOYSA-N 0 0 296.374 3.760 50 0 CHAARN Cc1ccccc1-c1nc(CN2CCc3ccccc32)no1 ZINC000120899026 570329476 /nfs/dbraw/zinc/32/94/76/570329476.db2.gz JMQSNLRGUFQTSH-UHFFFAOYSA-N 0 0 291.354 3.608 50 0 CHAARN c1ccc2nc(-c3ccc(N4CCOCC4)cc3)ccc2c1 ZINC000001384437 570332642 /nfs/dbraw/zinc/33/26/42/570332642.db2.gz KDWCKAVDJBJVGF-UHFFFAOYSA-N 0 0 290.366 3.738 50 0 CHAARN CC(=O)NCC[C@H]1[C@@H](c2c(C)[nH]c3ccccc32)C1(C)C ZINC000001414676 570334029 /nfs/dbraw/zinc/33/40/29/570334029.db2.gz VDKKKDCNGYVWHA-YOEHRIQHSA-N 0 0 284.403 3.742 50 0 biogenic CHAARN Cc1c2sc3ccccc3n2c(=S)sc1=N ZINC000004404274 570334160 /nfs/dbraw/zinc/33/41/60/570334160.db2.gz OPJRKDKVNZXZCA-UHFFFAOYSA-N 0 0 264.400 3.733 50 0 CHAARN Fc1ccc(Cc2nc(-c3cccs3)no2)cc1 ZINC000001421825 570335129 /nfs/dbraw/zinc/33/51/29/570335129.db2.gz XKXHGFFRSCMJQM-UHFFFAOYSA-N 0 0 260.293 3.528 50 0 CHAARN Cc1cccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1 ZINC000012853375 570341332 /nfs/dbraw/zinc/34/13/32/570341332.db2.gz HGUMIRQQVFSKRE-UHFFFAOYSA-N 0 0 294.354 3.596 50 0 CHAARN O=C(Nc1cccc(Cl)c1)OCc1ccco1 ZINC000000396577 570342279 /nfs/dbraw/zinc/34/22/79/570342279.db2.gz FAULSVBZIPWXFE-UHFFFAOYSA-N 0 0 251.669 3.682 50 0 CHAARN Clc1ccc2ncn3c(-c4ccccc4)nnc3c2c1 ZINC000000397620 570342572 /nfs/dbraw/zinc/34/25/72/570342572.db2.gz NHCHJGYXUAZHAY-UHFFFAOYSA-N 0 0 280.718 3.598 50 0 CHAARN Cc1ccc(-c2cc(C(=O)N3CCC3)c3ccccc3n2)o1 ZINC000005422773 570345095 /nfs/dbraw/zinc/34/50/95/570345095.db2.gz CFYCXUKQOLRXFH-UHFFFAOYSA-N 0 0 292.338 3.649 50 0 CHAARN C[C@@H](NC(=O)COc1ccccc1)c1cc2ccccc2o1 ZINC000012886714 570346550 /nfs/dbraw/zinc/34/65/50/570346550.db2.gz CMBGZOKGDJEZQZ-CYBMUJFWSA-N 0 0 295.338 3.689 50 0 CHAARN Cc1oc(C)c(C(=O)N[C@@H](C)c2cccs2)c1C ZINC000012889787 570346650 /nfs/dbraw/zinc/34/66/50/570346650.db2.gz PAKHCBSJIQZCLK-VIFPVBQESA-N 0 0 263.362 3.757 50 0 CHAARN O=C(CC1CC1)N[C@@H](c1ccsc1)c1cccs1 ZINC000575414941 570346824 /nfs/dbraw/zinc/34/68/24/570346824.db2.gz SMEPYJBVWNDBDX-AWEZNQCLSA-N 0 0 277.414 3.815 50 0 CHAARN O=Cc1c(Cl)cc(OCC(F)(F)F)cc1Cl ZINC000575442441 570347335 /nfs/dbraw/zinc/34/73/35/570347335.db2.gz QSSPFOHQLORVSV-UHFFFAOYSA-N 0 0 273.037 3.747 50 0 CHAARN C[C@H](c1ncc(C(C)(C)C)o1)n1ccc(C(F)(F)F)n1 ZINC000089126376 570348493 /nfs/dbraw/zinc/34/84/93/570348493.db2.gz LSTOAAPODWYRNE-MRVPVSSYSA-N 0 0 287.285 3.797 50 0 CHAARN CC(C)=C[C@@H]1[C@@H](C(=O)N(Cc2cccnc2)C2CC2)C1(C)C ZINC000053472443 570348504 /nfs/dbraw/zinc/34/85/04/570348504.db2.gz TXYRIVDORJRCGG-SJORKVTESA-N 0 0 298.430 3.811 50 0 CHAARN CC(=O)c1cccc(NC(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000001724856 570349323 /nfs/dbraw/zinc/34/93/23/570349323.db2.gz ULNFPCOUOULOPX-UHFFFAOYSA-N 0 0 296.326 3.736 50 0 CHAARN Cc1cc([C@@H]2CCCN2c2nc3ccccc3s2)no1 ZINC000013004131 570353931 /nfs/dbraw/zinc/35/39/31/570353931.db2.gz BICDNKXJDYCFIJ-ZDUSSCGKSA-N 0 0 285.372 3.934 50 0 CHAARN CCCCNc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000001749555 570354653 /nfs/dbraw/zinc/35/46/53/570354653.db2.gz QVCGCYNJJOSYAO-UHFFFAOYSA-N 0 0 289.400 3.731 50 0 CHAARN C[S@@](=O)Cc1cccc(N[C@H]2CCC[C@H](C3CC3)C2)c1 ZINC000092170675 570355558 /nfs/dbraw/zinc/35/55/58/570355558.db2.gz JZUJXHILRZARIQ-KNBMTAEXSA-N 0 0 291.460 3.946 50 0 CHAARN CN1CCc2c(c3cc(F)ccc3n2Cc2ccccc2)C1 ZINC000075567423 570355681 /nfs/dbraw/zinc/35/56/81/570355681.db2.gz KYQMMINWAAEJEJ-UHFFFAOYSA-N 0 0 294.373 3.817 50 0 CHAARN CC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)nc1 ZINC000089331254 570356420 /nfs/dbraw/zinc/35/64/20/570356420.db2.gz XTKWGUHVZOUSIP-UHFFFAOYSA-N 0 0 290.322 3.690 50 0 CHAARN Cc1nn(C)c(C)c1C(=O)Nc1cccc(Cl)c1Cl ZINC000065609517 570362439 /nfs/dbraw/zinc/36/24/39/570362439.db2.gz KADRAWKCGSODJH-UHFFFAOYSA-N 0 0 298.173 3.596 50 0 CHAARN CC(C)=CCOc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000000200898 570357229 /nfs/dbraw/zinc/35/72/29/570357229.db2.gz SJQOWWXLACLBRP-UHFFFAOYSA-N 0 0 270.328 3.627 50 0 biogenic CHAARN CCc1ccc(NC(=O)c2cn(CC)c3ncccc23)cc1 ZINC000065216649 570360374 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/nfs/dbraw/zinc/54/77/84/169547784.db2.gz YIWTWHWBWIVRHO-UHFFFAOYSA-N 0 0 284.384 3.707 50 0 CHAARN CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 ZINC000000146159 169553502 /nfs/dbraw/zinc/55/35/02/169553502.db2.gz JZVLKIQYMZXIBR-OUKQBFOZSA-N 0 0 295.338 3.515 50 0 CHAARN CCOC(=O)c1nc2ccccc2c(Nc2ccccc2)n1 ZINC000000145883 169553510 /nfs/dbraw/zinc/55/35/10/169553510.db2.gz BQNOVRHNVJSDHR-UHFFFAOYSA-N 0 0 293.326 3.550 50 0 CHAARN O=C(/C=C/c1ccccc1Cl)Nc1ccccc1 ZINC000000164778 169560123 /nfs/dbraw/zinc/56/01/23/169560123.db2.gz SPGGGKNPDWVLRC-ZHACJKMWSA-N 0 0 257.720 3.992 50 0 CHAARN Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 ZINC000000172393 169563251 /nfs/dbraw/zinc/56/32/51/169563251.db2.gz WNMRWBLANCRRGL-UHFFFAOYSA-N 0 0 295.367 3.645 50 0 CHAARN CC[C@@H](NC(=O)Nc1ccccc1)c1ccccc1 ZINC000000184807 169567327 /nfs/dbraw/zinc/56/73/27/169567327.db2.gz KXRHTXNSZHOAPO-OAHLLOKOSA-N 0 0 254.333 3.959 50 0 CHAARN CCN(CC)C(=O)Sc1cccc2cccnc21 ZINC000000188133 169568814 /nfs/dbraw/zinc/56/88/14/169568814.db2.gz FVKDPEMETBULSK-UHFFFAOYSA-N 0 0 260.362 3.789 50 0 CHAARN CCc1ccccc1NC(=O)c1cc(=O)c2ccccc2o1 ZINC000000189263 169569064 /nfs/dbraw/zinc/56/90/64/169569064.db2.gz XYTDQVALAZLQRT-UHFFFAOYSA-N 0 0 293.322 3.608 50 0 CHAARN CCCc1noc2c1C(=O)C[C@@H](C[C@H](C)SCC)C2 ZINC000000196771 169571054 /nfs/dbraw/zinc/57/10/54/169571054.db2.gz OLHVLKQRRXYHLZ-WDEREUQCSA-N 0 0 281.421 3.904 50 0 CHAARN Cc1ccc(-c2noc(COc3ccccc3)n2)cc1 ZINC000000205782 169574000 /nfs/dbraw/zinc/57/40/00/169574000.db2.gz WTAFXRDHOFMKGA-UHFFFAOYSA-N 0 0 266.300 3.624 50 0 CHAARN COc1ccccc1Nc1ncnc2sc(C)cc21 ZINC000000224052 169579568 /nfs/dbraw/zinc/57/95/68/169579568.db2.gz IHVHJCSZPZYQCK-UHFFFAOYSA-N 0 0 271.345 3.752 50 0 CHAARN CCCc1ccc(-c2ccc(C(=O)OCC)cc2)nc1 ZINC000000246190 169585849 /nfs/dbraw/zinc/58/58/49/169585849.db2.gz AKTRNJFUKFHRBB-UHFFFAOYSA-N 0 0 269.344 3.878 50 0 CHAARN Cc1ccnc(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000000253683 169587945 /nfs/dbraw/zinc/58/79/45/169587945.db2.gz FTIZKIFBULUFQD-UHFFFAOYSA-N 0 0 261.712 3.687 50 0 CHAARN Cc1cc(Cl)c2cc(Br)ccc2n1 ZINC000000290659 169598541 /nfs/dbraw/zinc/59/85/41/169598541.db2.gz OCNREXWJWVKEEB-UHFFFAOYSA-N 0 0 256.530 3.959 50 0 CHAARN O=C(Oc1ccccc1F)c1ccc(Br)cc1 ZINC000000299942 169601479 /nfs/dbraw/zinc/60/14/79/169601479.db2.gz OSKGAWXJRULZBC-UHFFFAOYSA-N 0 0 295.107 3.807 50 0 CHAARN CC[C@H](C(=O)Nc1nc(C)cs1)c1ccccc1 ZINC000000303334 169602836 /nfs/dbraw/zinc/60/28/36/169602836.db2.gz KTGBVMQPWPDEPZ-LBPRGKRZSA-N 0 0 260.362 3.584 50 0 CHAARN CCc1cc(=O)oc2cc(OC(C)C)c(Cl)cc12 ZINC000000314842 169606053 /nfs/dbraw/zinc/60/60/53/169606053.db2.gz PBPRCGKGGWAGFS-UHFFFAOYSA-N 0 0 266.724 3.796 50 0 CHAARN CCc1ccc(OCc2cc(C=O)ccc2OC)cc1 ZINC000000335394 169609869 /nfs/dbraw/zinc/60/98/69/169609869.db2.gz GMWNLVGQWJXMFT-UHFFFAOYSA-N 0 0 270.328 3.649 50 0 CHAARN Cc1ccc(OC(=O)c2ccc(Br)o2)cc1C ZINC000000341889 169611782 /nfs/dbraw/zinc/61/17/82/169611782.db2.gz BILHANKGBGFWKY-UHFFFAOYSA-N 0 0 295.132 3.878 50 0 CHAARN CC(=O)C(C(C)=O)[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000000378229 169623528 /nfs/dbraw/zinc/62/35/28/169623528.db2.gz BDMRIQIABQKTQP-IBGZPJMESA-N 0 0 280.367 3.921 50 0 CHAARN O=C(/C=C/c1ccccc1)Nc1cccc(N2CCCC2)c1 ZINC000000381954 169624245 /nfs/dbraw/zinc/62/42/45/169624245.db2.gz XBPXSYKVPWQVIC-VAWYXSNFSA-N 0 0 292.382 3.939 50 0 CHAARN CC(C)N(C(=O)Nc1ccc(Cl)cc1)C(C)C ZINC000000392861 169628247 /nfs/dbraw/zinc/62/82/47/169628247.db2.gz QFVFULXOEZUITQ-UHFFFAOYSA-N 0 0 254.761 3.991 50 0 CHAARN C[C@H](O)c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000000383819 169625552 /nfs/dbraw/zinc/62/55/52/169625552.db2.gz SENXUERSHZAXOQ-JTQLQIEISA-N 0 0 275.735 3.646 50 0 CHAARN Cc1cccc(NC(=O)OCc2ccc3c(c2)OCO3)c1C ZINC000000397317 169629871 /nfs/dbraw/zinc/62/98/71/169629871.db2.gz XIMDIOHQMQFSAD-UHFFFAOYSA-N 0 0 299.326 3.781 50 0 CHAARN Cc1cc2c(cc1N)c(-c1ccccc1)nc(=O)n2C(C)C ZINC000000398948 169630790 /nfs/dbraw/zinc/63/07/90/169630790.db2.gz IJKRCDLJZQBETB-UHFFFAOYSA-N 0 0 293.370 3.535 50 0 CHAARN Cc1ccccc1NC(=O)COc1ccc(Cl)cc1C ZINC000000401523 169631403 /nfs/dbraw/zinc/63/14/03/169631403.db2.gz DGTPGJUMJDSFNQ-UHFFFAOYSA-N 0 0 289.762 3.974 50 0 CHAARN c1ccc(-c2nnnn2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000000406352 169632308 /nfs/dbraw/zinc/63/23/08/169632308.db2.gz PFFQMGSHOOODCW-UHFFFAOYSA-N 0 0 298.349 3.996 50 0 CHAARN CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000000408703 169632958 /nfs/dbraw/zinc/63/29/58/169632958.db2.gz DACZDACZDBBEEH-HNNXBMFYSA-N 0 0 259.736 3.566 50 0 CHAARN NC(=O)N[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000000437885 169640512 /nfs/dbraw/zinc/64/05/12/169640512.db2.gz VDZHVNYJRHKGQB-KRWDZBQOSA-N 0 0 276.339 3.598 50 0 CHAARN O=C(Nc1cccc2ncccc21)c1ccc(F)cc1 ZINC000000433456 169639500 /nfs/dbraw/zinc/63/95/00/169639500.db2.gz ONNCSAQFZYAHEX-UHFFFAOYSA-N 0 0 266.275 3.626 50 0 CHAARN CCCc1cc(=O)oc2cc(OCC)c(Cl)cc12 ZINC000000434852 169639773 /nfs/dbraw/zinc/63/97/73/169639773.db2.gz RDEFIEVOXDZUKU-UHFFFAOYSA-N 0 0 266.724 3.798 50 0 CHAARN CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000000444637 169642593 /nfs/dbraw/zinc/64/25/93/169642593.db2.gz GLFGKZSYNABYPQ-UHFFFAOYSA-N 0 0 294.310 3.644 50 0 CHAARN CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000000444632 169642611 /nfs/dbraw/zinc/64/26/11/169642611.db2.gz IVQWGPYRAGKHFV-MDWZMJQESA-N 0 0 294.354 3.687 50 0 CHAARN CC(=O)c1cc(Cc2csc(C(C)=O)c2)cs1 ZINC000000439268 169640876 /nfs/dbraw/zinc/64/08/76/169640876.db2.gz KYOQOVQXBGMFHY-UHFFFAOYSA-N 0 0 264.371 3.806 50 0 CHAARN Cc1cccc(NC(=O)C(Cl)(Cl)Cl)c1C ZINC000000469055 169648879 /nfs/dbraw/zinc/64/88/79/169648879.db2.gz CDWPDPGACXMWTI-UHFFFAOYSA-N 0 0 266.555 3.612 50 0 CHAARN COc1ccccc1OCc1nc(-c2cccc(C)c2)no1 ZINC000000469776 169648918 /nfs/dbraw/zinc/64/89/18/169648918.db2.gz ZSICIGWNGVKCHH-UHFFFAOYSA-N 0 0 296.326 3.633 50 0 CHAARN COc1ccc(CCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000000474723 169650249 /nfs/dbraw/zinc/65/02/49/169650249.db2.gz AYZDKGOQCWJNLY-AWEZNQCLSA-N 0 0 283.371 3.505 50 0 CHAARN C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccc(Cl)c2)C1 ZINC000000475051 169650415 /nfs/dbraw/zinc/65/04/15/169650415.db2.gz WCNKERLJJIZBDU-GHMZBOCLSA-N 0 0 266.772 3.850 50 0 CHAARN C[C@H](c1ccccc1)N1C(=S)N=NC1c1ccccc1F ZINC000000477235 169651548 /nfs/dbraw/zinc/65/15/48/169651548.db2.gz ADIDUSGLMOEIIO-LLVKDONJSA-N 0 0 299.374 3.982 50 0 CHAARN COc1ccc(-c2csc(N)c2C(=O)OC(C)C)cc1 ZINC000005633312 184532645 /nfs/dbraw/zinc/53/26/45/184532645.db2.gz FUGWHHGAGIZMNO-UHFFFAOYSA-N 0 0 291.372 3.571 50 0 CHAARN O=C(N[C@@H]1CCc2ccccc21)c1cc2ccccc2[nH]1 ZINC000012945316 184533654 /nfs/dbraw/zinc/53/36/54/184533654.db2.gz SIHBFTRVOBKGIA-MRXNPFEDSA-N 0 0 276.339 3.585 50 0 CHAARN CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 ZINC000000481839 169652719 /nfs/dbraw/zinc/65/27/19/169652719.db2.gz DOALBJDTZPDTPE-UHFFFAOYSA-N 0 0 299.395 3.816 50 0 CHAARN CC(=O)c1cnc2ccc(Br)cc2c1Cl ZINC000066054503 184569572 /nfs/dbraw/zinc/56/95/72/184569572.db2.gz TZSUMDMNMCGUEP-UHFFFAOYSA-N 0 0 284.540 3.853 50 0 CHAARN CN(C(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000071772745 184575706 /nfs/dbraw/zinc/57/57/06/184575706.db2.gz ZYWOHZGVKLMVOE-UHFFFAOYSA-N 0 0 269.388 3.727 50 0 CHAARN CCc1c(C)oc2c(Cl)cc(Cl)cc2c1=O ZINC000071772790 184575941 /nfs/dbraw/zinc/57/59/41/184575941.db2.gz CXSZHYLOTDWHQE-UHFFFAOYSA-N 0 0 257.116 3.971 50 0 CHAARN FC1(F)C(Cl)=C(Cl)[C@](F)(Cl)C1(F)F ZINC000071790171 184577622 /nfs/dbraw/zinc/57/76/22/184577622.db2.gz JMTPGSMYAMXWBK-GSVOUGTGSA-N 0 0 261.404 3.864 50 0 CHAARN Cc1cc2oc(=O)c3c(c2c2c1CCC(C)(C)O2)CCC3 ZINC000000490192 169655128 /nfs/dbraw/zinc/65/51/28/169655128.db2.gz MPKRFUBFMATPBV-UHFFFAOYSA-N 0 0 284.355 3.694 50 0 biogenic CHAARN CCCn1c2ccccc2nc1[C@@H](O)c1ccccc1OC ZINC000000502196 169657758 /nfs/dbraw/zinc/65/77/58/169657758.db2.gz QIEKOLCLJVSZDT-KRWDZBQOSA-N 0 0 296.370 3.537 50 0 CHAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nccc(C)n1 ZINC000000523594 169661657 /nfs/dbraw/zinc/66/16/57/169661657.db2.gz VTEXAZJKWHABJK-UHFFFAOYSA-N 0 0 297.383 3.550 50 0 CHAARN CCO[C@H](C)c1ccc(-c2ccc3[nH]nc(N)c3c2)cc1 ZINC000096163340 256741710 /nfs/dbraw/zinc/74/17/10/256741710.db2.gz JSQPAJXYYFPYOO-LLVKDONJSA-N 0 0 281.359 3.910 50 0 CHAARN COC(=O)/C(=C\c1ccc(SC)cc1)c1ccncc1 ZINC000096297247 256774244 /nfs/dbraw/zinc/77/42/44/256774244.db2.gz ZAJIEKFKSUHITB-PTNGSMBKSA-N 0 0 285.368 3.517 50 0 CHAARN COc1cccc(C[S@@](=O)CC2CCCCC2)c1 ZINC000096403872 256770011 /nfs/dbraw/zinc/77/00/11/256770011.db2.gz KRSJEWGJZQVOGN-GOSISDBHSA-N 0 0 266.406 3.524 50 0 CHAARN CCCC[C@@H](C)C(=O)Nc1cccc2c1cc[nH]c2=O ZINC000456304003 256848215 /nfs/dbraw/zinc/84/82/15/256848215.db2.gz KRESKQLUXZIJOA-LLVKDONJSA-N 0 0 272.348 3.705 50 0 CHAARN CC1=CCN(C(=O)c2ccc3cccc(Cl)c3n2)CC1 ZINC000426403483 256861929 /nfs/dbraw/zinc/86/19/29/256861929.db2.gz KIIBVQFUQXKYIG-UHFFFAOYSA-N 0 0 286.762 3.680 50 0 CHAARN Cc1ccc(NC(=S)NC(=O)CC(C)C)cc1Cl ZINC000000342047 256871482 /nfs/dbraw/zinc/87/14/82/256871482.db2.gz DKYMEDRGVUIQPR-UHFFFAOYSA-N 0 0 284.812 3.508 50 0 CHAARN CCOc1ncccc1-c1cccc2cccnc21 ZINC000096167194 256887024 /nfs/dbraw/zinc/88/70/24/256887024.db2.gz RNKGTPIBAQSMIT-UHFFFAOYSA-N 0 0 250.301 3.696 50 0 CHAARN Cn1c(SCc2ccccc2)nnc1-c1cccs1 ZINC000000533252 169663830 /nfs/dbraw/zinc/66/38/30/169663830.db2.gz ZCDJJCRHQLWCOY-UHFFFAOYSA-N 0 0 287.413 3.836 50 0 CHAARN CC(C)CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000000567274 169669422 /nfs/dbraw/zinc/66/94/22/169669422.db2.gz FPVRWQRPHMFVPS-SNVBAGLBSA-N 0 0 271.813 3.593 50 0 CHAARN COc1ccc(NC(=O)CCC2CCCC2)cc1OC ZINC000000618378 169676119 /nfs/dbraw/zinc/67/61/19/169676119.db2.gz NSQMRKNQAKEJHP-UHFFFAOYSA-N 0 0 277.364 3.613 50 0 CHAARN COc1ccccc1[C@@H]1Nc2ccccc2-c2cc(C)nn21 ZINC000000817658 169680546 /nfs/dbraw/zinc/68/05/46/169680546.db2.gz KUCSTLVXRPAHNG-GOSISDBHSA-N 0 0 291.354 3.840 50 0 CHAARN C[C@H](NC(=O)c1cc2c(s1)CCCC2)C(C)(C)C ZINC000001055774 169687836 /nfs/dbraw/zinc/68/78/36/169687836.db2.gz OBDMRBLHXRKZJR-JTQLQIEISA-N 0 0 265.422 3.791 50 0 CHAARN 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ZINC000068044926 521215008 /nfs/dbraw/zinc/21/50/08/521215008.db2.gz JSBGPXFPFRSEJY-UHFFFAOYSA-N 0 0 276.405 3.691 50 0 CHAARN Cc1cccc(/C=C2/N=C(c3ccc(F)cc3F)OC2=O)c1 ZINC000097998197 534575902 /nfs/dbraw/zinc/57/59/02/534575902.db2.gz DOXVBWDIQVPPJP-OVCLIPMQSA-N 0 0 299.276 3.618 50 0 CHAARN CCS[C@H]1CCCCN(C(=O)N[C@H]2CC[C@H](C)CC2)C1 ZINC000252516959 521730427 /nfs/dbraw/zinc/73/04/27/521730427.db2.gz YKXCLUMMLJQHLU-KKUMJFAQSA-N 0 0 298.496 3.882 50 0 CHAARN CC[C@H](C)Oc1cccc(N[C@@H](C)c2cnn(C)c2)c1 ZINC000051780139 521779967 /nfs/dbraw/zinc/77/99/67/521779967.db2.gz DVGXQZYIHQTBJR-STQMWFEESA-N 0 0 273.380 3.771 50 0 CHAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccoc1C ZINC000012982167 522516049 /nfs/dbraw/zinc/51/60/49/522516049.db2.gz BPEQNEXIWPFHKO-UHFFFAOYSA-N 0 0 279.723 3.811 50 0 CHAARN O=C(CSc1ncnc2ccccc21)c1cccs1 ZINC000006871384 534676999 /nfs/dbraw/zinc/67/69/99/534676999.db2.gz XAOCYKOKAORRRU-UHFFFAOYSA-N 0 0 286.381 3.666 50 0 CHAARN COc1ccc(C)cc1NC(=O)c1cccc2cccnc21 ZINC000012918780 523842036 /nfs/dbraw/zinc/84/20/36/523842036.db2.gz INYVWWAVPWIPGU-UHFFFAOYSA-N 0 0 292.338 3.804 50 0 CHAARN C[C@@H](CC(=O)N(Cc1ccccn1)C1CC1)c1ccccc1 ZINC000072781637 524346650 /nfs/dbraw/zinc/34/66/50/524346650.db2.gz KBXXOSAMFAEFJA-HNNXBMFYSA-N 0 0 294.398 3.766 50 0 CHAARN Cc1nn(C(=O)/C=C/c2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000003898989 534806006 /nfs/dbraw/zinc/80/60/06/534806006.db2.gz GRTNSMJZOUBADB-YTOTVDJJSA-N 0 0 292.382 3.841 50 0 biogenic CHAARN C[C@@H]1CN(C(=O)Cc2cccs2)[C@H]1c1ccccc1 ZINC000266329793 524798102 /nfs/dbraw/zinc/79/81/02/524798102.db2.gz UURAZPSXEZVCSL-MLGOLLRUSA-N 0 0 271.385 3.510 50 0 CHAARN C[C@H](Nc1ccc(C(F)(F)F)cn1)c1cncc(F)c1 ZINC000357456602 525648960 /nfs/dbraw/zinc/64/89/60/525648960.db2.gz SJLZILYKDFFSQF-QMMMGPOBSA-N 0 0 285.244 3.808 50 0 CHAARN Cc1ccc([C@@H](C)NC(=O)c2ccccc2Cl)o1 ZINC000012978860 525717766 /nfs/dbraw/zinc/71/77/66/525717766.db2.gz HEQOFOWFVDVOSO-SNVBAGLBSA-N 0 0 263.724 3.732 50 0 CHAARN Cc1ccc(-c2cccc(C[NH2+][C@H](C(=O)[O-])C(C)C)c2)cc1 ZINC000262709171 525757475 /nfs/dbraw/zinc/75/74/75/525757475.db2.gz OPMZCDVPYPRKLZ-SFHVURJKSA-N 0 0 297.398 3.861 50 0 CHAARN CC(=O)N[C@H](C)c1ccc(-c2ccccc2N(C)C)cc1 ZINC000426627809 526880092 /nfs/dbraw/zinc/88/00/92/526880092.db2.gz OPJCUNYIPDTCNZ-CYBMUJFWSA-N 0 0 282.387 3.617 50 0 CHAARN Cc1nc(CNc2ccnc3ccsc32)ccc1[C@@H](C)O ZINC000275375082 526901359 /nfs/dbraw/zinc/90/13/59/526901359.db2.gz AHRUADPDJGKPCT-LLVKDONJSA-N 0 0 299.399 3.665 50 0 CHAARN CC(=O)c1cccc(NC(=O)Nc2ccc(F)cc2F)c1 ZINC000006297754 527366502 /nfs/dbraw/zinc/36/65/02/527366502.db2.gz DJXUJCQBQLCFKH-UHFFFAOYSA-N 0 0 290.269 3.811 50 0 CHAARN O=c1cc(-c2nc3ccccc3s2)c2ccccc2[nH]1 ZINC000012504665 527474552 /nfs/dbraw/zinc/47/45/52/527474552.db2.gz QPYXWJOXXPNKPX-UHFFFAOYSA-N 0 0 278.336 3.805 50 0 CHAARN CCCN(C)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000096447390 527807620 /nfs/dbraw/zinc/80/76/20/527807620.db2.gz ZNSPGDLDWZZDOF-AWEZNQCLSA-N 0 0 297.402 3.861 50 0 CHAARN CCOC(=O)c1c2cc(O)c3ccccc3c2[nH]c1OCC ZINC000000280801 528131493 /nfs/dbraw/zinc/13/14/93/528131493.db2.gz NGUJCLQFUIRSTR-UHFFFAOYSA-N 0 0 299.326 3.602 50 0 biogenic CHAARN CCNC(=O)c1ccccc1SCc1ccccc1 ZINC000000471340 528274457 /nfs/dbraw/zinc/27/44/57/528274457.db2.gz LXCPEFNLQDHPIP-UHFFFAOYSA-N 0 0 271.385 3.729 50 0 CHAARN CCCCc1nc(CSCc2nnc(C)o2)cs1 ZINC000096467806 529044905 /nfs/dbraw/zinc/04/49/05/529044905.db2.gz DXGKFXUVQQKEQQ-UHFFFAOYSA-N 0 0 283.422 3.611 50 0 CHAARN CCSc1nnc(NC(=O)c2cc(C)cc(C)c2)s1 ZINC000004072015 529265288 /nfs/dbraw/zinc/26/52/88/529265288.db2.gz APEAMYOQWYRPDA-UHFFFAOYSA-N 0 0 293.417 3.519 50 0 CHAARN Cc1cc(Cl)c(C(=O)N2CCCC[C@@H]2C(C)C)cn1 ZINC000095428277 567130572 /nfs/dbraw/zinc/13/05/72/567130572.db2.gz XWMCGHQBSYBNSB-CQSZACIVSA-N 0 0 280.799 3.694 50 0 CHAARN CCN(CC)C(=O)Nc1c(Cl)cccc1Cl ZINC000000395449 567828750 /nfs/dbraw/zinc/82/87/50/567828750.db2.gz UITNARUAHHFKQI-UHFFFAOYSA-N 0 0 261.152 3.867 50 0 CHAARN Cc1cc(C)nc(OC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000001388253 567837007 /nfs/dbraw/zinc/83/70/07/567837007.db2.gz MZTZZPPYNVNKOH-UHFFFAOYSA-N 0 0 297.141 3.619 50 0 CHAARN CCOC(=O)CCCCCC(=O)c1cccc(F)c1F ZINC000002243640 567845558 /nfs/dbraw/zinc/84/55/58/567845558.db2.gz SKSNHMWUAYOCRY-UHFFFAOYSA-N 0 0 284.302 3.661 50 0 CHAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(Cl)cn2)C1(C)C ZINC000000784037 567834667 /nfs/dbraw/zinc/83/46/67/567834667.db2.gz GMNKPXQTZMAAPJ-WCQYABFASA-N 0 0 278.783 3.912 50 0 CHAARN Cc1ccc(NC(=O)c2cc(F)ccc2F)c(C)c1 ZINC000016284962 567872419 /nfs/dbraw/zinc/87/24/19/567872419.db2.gz JTLNDSRAJQZXQP-UHFFFAOYSA-N 0 0 261.271 3.834 50 0 CHAARN CCN(C(=O)c1cccnc1Cl)C1CCCCC1 ZINC000019399777 567878240 /nfs/dbraw/zinc/87/82/40/567878240.db2.gz TTZXCUFJHRKEPZ-UHFFFAOYSA-N 0 0 266.772 3.530 50 0 CHAARN C[C@@H]1CN(Cc2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000019607150 567887798 /nfs/dbraw/zinc/88/77/98/567887798.db2.gz FAIAGMVQEOPUTH-NXEZZACHSA-N 0 0 274.191 3.603 50 0 CHAARN O=C(c1ccc(F)c(F)c1)c1ccccc1Cl ZINC000036941540 567889743 /nfs/dbraw/zinc/88/97/43/567889743.db2.gz QOSOQABLAQZIAU-UHFFFAOYSA-N 0 0 252.647 3.849 50 0 CHAARN Brc1ccc(-c2noc(-c3cccs3)n2)o1 ZINC000000034390 567901657 /nfs/dbraw/zinc/90/16/57/567901657.db2.gz GLBYXJZKOAWOAI-UHFFFAOYSA-N 0 0 297.133 3.821 50 0 CHAARN O=C(Nc1cncc(Cl)c1Cl)c1cccs1 ZINC000225560069 567953834 /nfs/dbraw/zinc/95/38/34/567953834.db2.gz PAIRUDIPJQADPJ-UHFFFAOYSA-N 0 0 273.144 3.702 50 0 CHAARN CC[C@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000091690091 570255427 /nfs/dbraw/zinc/25/54/27/570255427.db2.gz CFPAZFRBZHGEHZ-NSHDSACASA-N 0 0 261.365 3.900 50 0 CHAARN Brc1ccc2c(Br)cncc2c1 ZINC000137698075 570270937 /nfs/dbraw/zinc/27/09/37/570270937.db2.gz BECTWGZDTRBAKT-UHFFFAOYSA-N 0 0 286.954 3.760 50 0 CHAARN O=C(c1ccoc1)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000241515675 566826260 /nfs/dbraw/zinc/82/62/60/566826260.db2.gz OGYHPQAOFPJDRG-UHFFFAOYSA-N 0 0 296.301 3.661 50 0 CHAARN CC(C)n1ccc(C(=O)N2CCCC[C@H]3CCCC[C@H]32)n1 ZINC000241739118 566826359 /nfs/dbraw/zinc/82/63/59/566826359.db2.gz RAEITRUGDSPZGE-GDBMZVCRSA-N 0 0 289.423 3.649 50 0 CHAARN Cc1cccc(NC(=O)N2CCc3cc(C)ccc3C2)c1 ZINC000241132982 566826372 /nfs/dbraw/zinc/82/63/72/566826372.db2.gz JNUOXZJSHXQIRS-UHFFFAOYSA-N 0 0 280.371 3.894 50 0 CHAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C[C@@H](O)[C@@H]2O ZINC000254793055 566835514 /nfs/dbraw/zinc/83/55/14/566835514.db2.gz YSIYIHBXKQHUCK-AGWIIJTJSA-N 0 0 292.463 3.751 50 0 CHAARN CC1=CCN(C(=O)Nc2ccccc2OC(C)C)CC1 ZINC000270168163 566841410 /nfs/dbraw/zinc/84/14/10/566841410.db2.gz URYPTPMHUYDKKT-UHFFFAOYSA-N 0 0 274.364 3.658 50 0 CHAARN COc1cccc2cc(CN[C@@H](C)c3ccccn3)oc21 ZINC000035009609 566843200 /nfs/dbraw/zinc/84/32/00/566843200.db2.gz MTLXVZJDOHYGJA-LBPRGKRZSA-N 0 0 282.343 3.687 50 0 CHAARN CCCc1cc(C(=O)Nc2cc(Cl)ccc2OC)no1 ZINC000003908987 566844922 /nfs/dbraw/zinc/84/49/22/566844922.db2.gz ARXHGWIYFVYBPS-UHFFFAOYSA-N 0 0 294.738 3.541 50 0 CHAARN CC(=O)Nc1ccccc1OCc1ccc(Cl)s1 ZINC000012567693 566849835 /nfs/dbraw/zinc/84/98/35/566849835.db2.gz AYXWZCQMUUYWMA-UHFFFAOYSA-N 0 0 281.764 3.939 50 0 CHAARN Cc1ccc(F)cc1NC(=O)Cc1ccccc1Cl ZINC000003566248 566852355 /nfs/dbraw/zinc/85/23/55/566852355.db2.gz IBTWSHWKRTZXIC-UHFFFAOYSA-N 0 0 277.726 3.969 50 0 CHAARN CCCc1ccccc1NC(=O)NCC[C@@H]1CCCOC1 ZINC000299798414 566854160 /nfs/dbraw/zinc/85/41/60/566854160.db2.gz RWHLMJFRHNYDQF-AWEZNQCLSA-N 0 0 290.407 3.577 50 0 CHAARN CC(=O)OCC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]12C ZINC000004042741 566856251 /nfs/dbraw/zinc/85/62/51/566856251.db2.gz WAZIVOKZWOLZGT-XYVMCAHJSA-N 0 0 296.451 3.933 50 0 biogenic CHAARN CC1CCN(c2nccn3nc(-c4ccccc4)cc23)CC1 ZINC000263618158 566859840 /nfs/dbraw/zinc/85/98/40/566859840.db2.gz RNMTUMNNBXWYFM-UHFFFAOYSA-N 0 0 292.386 3.633 50 0 CHAARN Clc1snnc1CN1CCC[C@@H]1c1cccs1 ZINC000052916704 566860727 /nfs/dbraw/zinc/86/07/27/566860727.db2.gz WEDFHWOCWITJJJ-SECBINFHSA-N 0 0 285.825 3.590 50 0 CHAARN C[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CC=CCC1 ZINC000052988377 566863440 /nfs/dbraw/zinc/86/34/40/566863440.db2.gz WMPQSAXTDBEOKI-VXGBXAGGSA-N 0 0 261.390 3.550 50 0 CHAARN CSc1ccc(CNc2nc3ccccc3[nH]2)cc1 ZINC000083514648 566863590 /nfs/dbraw/zinc/86/35/90/566863590.db2.gz ZEUIQQVVQSITIW-UHFFFAOYSA-N 0 0 269.373 3.897 50 0 CHAARN Cc1ccc(-c2csc(NC[C@H]3CCCO3)n2)cc1 ZINC000001372380 566865880 /nfs/dbraw/zinc/86/58/80/566865880.db2.gz MESQQJVXXQIPJC-CYBMUJFWSA-N 0 0 274.389 3.709 50 0 CHAARN FC(F)(F)c1cnc(OCc2cncs2)c(Cl)c1 ZINC000001392734 566869597 /nfs/dbraw/zinc/86/95/97/566869597.db2.gz ZNDKGAHMCVYIOF-UHFFFAOYSA-N 0 0 294.685 3.789 50 0 CHAARN C[C@@H]1COc2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000001389057 566870309 /nfs/dbraw/zinc/87/03/09/566870309.db2.gz UILNYSZPKJYGPZ-LLVKDONJSA-N 0 0 287.746 3.768 50 0 CHAARN COc1cnc(-c2ccccn2)nc1Sc1ccccc1 ZINC000001401651 566871348 /nfs/dbraw/zinc/87/13/48/566871348.db2.gz SBAYNQGWPJSALG-UHFFFAOYSA-N 0 0 295.367 3.698 50 0 CHAARN O=C(Nc1cnc(-c2ccccc2)nc1)c1cccc(F)c1 ZINC000012738991 566872735 /nfs/dbraw/zinc/87/27/35/566872735.db2.gz ZWNPCYWJZZKIKW-UHFFFAOYSA-N 0 0 293.301 3.535 50 0 CHAARN Fc1ccc(-c2csc(N3CCSCC3)n2)cc1 ZINC000001405933 566874601 /nfs/dbraw/zinc/87/46/01/566874601.db2.gz IPHXTOIAKFRZBQ-UHFFFAOYSA-N 0 0 280.393 3.502 50 0 CHAARN Cc1ccc(O)c(C(=O)N[C@H](C)c2ccccc2C)c1 ZINC000012767447 566883398 /nfs/dbraw/zinc/88/33/98/566883398.db2.gz BSMWXTAWYRVTJZ-CYBMUJFWSA-N 0 0 269.344 3.500 50 0 CHAARN CC(C)c1cnc(COc2ccc(Br)nc2)o1 ZINC000084630751 566884192 /nfs/dbraw/zinc/88/41/92/566884192.db2.gz HKXSLUGNQWZWQM-UHFFFAOYSA-N 0 0 297.152 3.535 50 0 CHAARN CSCCCCNC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000084705598 566884697 /nfs/dbraw/zinc/88/46/97/566884697.db2.gz DFGAJKPZXJYPPQ-DZGCQCFKSA-N 0 0 292.448 3.532 50 0 CHAARN C[C@@H](O)CN(CCCc1ccccc1)c1ccccc1 ZINC000084638245 566885356 /nfs/dbraw/zinc/88/53/56/566885356.db2.gz VSKNLILGAIVMOT-MRXNPFEDSA-N 0 0 269.388 3.507 50 0 CHAARN CC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)nc(C)n2C ZINC000084735479 566887194 /nfs/dbraw/zinc/88/71/94/566887194.db2.gz ZDPZSLXHDSUFAC-DZGCQCFKSA-N 0 0 299.418 3.580 50 0 CHAARN FC(F)(F)c1cnc(-c2cccnc2)c(Cl)c1 ZINC000047212650 566888668 /nfs/dbraw/zinc/88/86/68/566888668.db2.gz YWCZZOMGJVJWSH-UHFFFAOYSA-N 0 0 258.630 3.816 50 0 CHAARN CC(=O)CSc1cc(C)c2cc(C)cc(C)c2n1 ZINC000011907521 566892487 /nfs/dbraw/zinc/89/24/87/566892487.db2.gz LKSONUJUCFCGFM-UHFFFAOYSA-N 0 0 259.374 3.841 50 0 CHAARN O=C(Oc1cccc2ccccc21)c1c[nH]c2ncccc12 ZINC000063685318 566896910 /nfs/dbraw/zinc/89/69/10/566896910.db2.gz NADHSCCYGQAWRC-UHFFFAOYSA-N 0 0 288.306 3.935 50 0 CHAARN O=C(NCc1ccco1)Nc1cccc2ccccc21 ZINC000000146730 566901797 /nfs/dbraw/zinc/90/17/97/566901797.db2.gz MLJYLJIZXVJSTL-UHFFFAOYSA-N 0 0 266.300 3.755 50 0 CHAARN Cc1cccc(NC(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000000153940 566902630 /nfs/dbraw/zinc/90/26/30/566902630.db2.gz YHDYUTUHKMYDMG-UHFFFAOYSA-N 0 0 275.739 3.996 50 0 CHAARN O=C(Nc1nc2c(s1)CCCCC2)c1ccc(F)cc1 ZINC000012828228 566906130 /nfs/dbraw/zinc/90/61/30/566906130.db2.gz LJOMLDVNLZHOQW-UHFFFAOYSA-N 0 0 290.363 3.803 50 0 CHAARN COC(=O)C1=C(C)CCC[C@@]1(C)CCC1=CCC[C@H]1O ZINC000043762372 566916620 /nfs/dbraw/zinc/91/66/20/566916620.db2.gz GKSJLDZFAFLHLL-PBHICJAKSA-N 0 0 278.392 3.527 50 0 CHAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000015836154 566919849 /nfs/dbraw/zinc/91/98/49/566919849.db2.gz VZOVYALTKADGSC-CQSZACIVSA-N 0 0 255.317 3.565 50 0 CHAARN CC[C@@H](C)NC(=O)Cc1sc(C)nc1-c1cccs1 ZINC000015840043 566924406 /nfs/dbraw/zinc/92/44/06/566924406.db2.gz MENSKRQOZOSXQN-SECBINFHSA-N 0 0 294.445 3.637 50 0 CHAARN O=c1c2oc3ccccc3c2[nH]c(=S)n1-c1ccccc1 ZINC000100530351 566925482 /nfs/dbraw/zinc/92/54/82/566925482.db2.gz QBIYLKSPXQONML-UHFFFAOYSA-N 0 0 294.335 3.794 50 0 CHAARN Cc1cc(NC(=O)CCS[C@H](C)c2ccccc2)no1 ZINC000012919280 566926936 /nfs/dbraw/zinc/92/69/36/566926936.db2.gz NSBWNRPACHQBLY-GFCCVEGCSA-N 0 0 290.388 3.806 50 0 CHAARN C[C@H]1C[C@H]1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000012919594 566927114 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C[S@](=O)Cc1ccc(Cl)c(NCCCCCF)c1 ZINC000225433117 567112973 /nfs/dbraw/zinc/11/29/73/567112973.db2.gz BICZPNHBUQSWIV-SFHVURJKSA-N 0 0 291.819 3.770 50 0 CHAARN C[C@@H](C[NH+]1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000080823784 567114494 /nfs/dbraw/zinc/11/44/94/567114494.db2.gz MBZJACXZRIUXFP-INIZCTEOSA-N 0 0 281.399 3.789 50 0 CHAARN FC(F)COc1cc(Br)ccc1Cl ZINC000069758738 567115275 /nfs/dbraw/zinc/11/52/75/567115275.db2.gz LVJCNBDCTSOZGC-UHFFFAOYSA-N 0 0 271.488 3.746 50 0 CHAARN COC(=O)c1cccc(OCc2nc3ccccc3s2)c1 ZINC000012995433 567115682 /nfs/dbraw/zinc/11/56/82/567115682.db2.gz INMSPOOFOBVXDO-UHFFFAOYSA-N 0 0 299.351 3.662 50 0 CHAARN CCN(Cc1ccoc1)Cc1cnc(C2CC2)s1 ZINC000092935974 567118698 /nfs/dbraw/zinc/11/86/98/567118698.db2.gz DLXYBDHERQQEOO-UHFFFAOYSA-N 0 0 262.378 3.636 50 0 CHAARN O=C(Nc1ccc2[nH]c(C3CC3)nc2c1)c1ccccc1 ZINC000079484092 567121880 /nfs/dbraw/zinc/12/18/80/567121880.db2.gz PAMDRISNUQZYKT-UHFFFAOYSA-N 0 0 277.327 3.693 50 0 CHAARN Fc1ccc(-c2cc3nccc(-c4cccnc4)n3n2)cc1 ZINC000079481642 567122152 /nfs/dbraw/zinc/12/21/52/567122152.db2.gz XSZSAEYLUARPFG-UHFFFAOYSA-N 0 0 290.301 3.597 50 0 CHAARN COc1cccc(CC(=O)N(CC(C)C)CC(C)(C)C)c1 ZINC000079110912 567123596 /nfs/dbraw/zinc/12/35/96/567123596.db2.gz QIUIDZARXLQWCT-UHFFFAOYSA-N 0 0 291.435 3.768 50 0 CHAARN O=C(Cc1ccsc1)NC1(c2cccs2)CCCC1 ZINC000390828067 567125368 /nfs/dbraw/zinc/12/53/68/567125368.db2.gz OGTYEESHVFMLKO-UHFFFAOYSA-N 0 0 291.441 3.938 50 0 CHAARN Cc1ccccc1[C@@H](NC(=O)Nc1cn[nH]c1)C(C)(C)C ZINC000079941554 567125697 /nfs/dbraw/zinc/12/56/97/567125697.db2.gz RYDXDDDCVCIEHB-CQSZACIVSA-N 0 0 286.379 3.627 50 0 CHAARN C[C@@H](N[C@@H](c1ccccc1)c1ccccn1)c1ccncc1 ZINC000095349343 567127699 /nfs/dbraw/zinc/12/76/99/567127699.db2.gz HDYGSCJCLQWHCD-BEFAXECRSA-N 0 0 289.382 3.917 50 0 CHAARN C[C@@H](OC1CCCCCC1)c1nc(-c2ccncc2)no1 ZINC000095414593 567127913 /nfs/dbraw/zinc/12/79/13/567127913.db2.gz DQKVAOKIUCYTQI-GFCCVEGCSA-N 0 0 287.363 3.932 50 0 CHAARN Cc1ccc([C@H]2C[C@@H]2c2nc(COC(C)C)no2)s1 ZINC000095394424 567129195 /nfs/dbraw/zinc/12/91/95/567129195.db2.gz RTHJZTRPLMPESV-QWRGUYRKSA-N 0 0 278.377 3.636 50 0 CHAARN CSc1nc(-c2ccccc2)cn1Cc1cc(C)on1 ZINC000095414786 567129494 /nfs/dbraw/zinc/12/94/94/567129494.db2.gz PQLIWZWMAZPHLQ-UHFFFAOYSA-N 0 0 285.372 3.617 50 0 CHAARN COc1ccc(Cl)cc1CN[C@H](C)c1cncc(F)c1 ZINC000095421139 567131038 /nfs/dbraw/zinc/13/10/38/567131038.db2.gz NRICYUTXJAVSAD-SNVBAGLBSA-N 0 0 294.757 3.734 50 0 CHAARN Cc1cc(Cl)c(C(=O)N2CCCC[C@H]2C(C)C)cn1 ZINC000095428278 567131900 /nfs/dbraw/zinc/13/19/00/567131900.db2.gz XWMCGHQBSYBNSB-AWEZNQCLSA-N 0 0 280.799 3.694 50 0 CHAARN Cc1nc([C@H](C)N[C@H](C)c2cnn(C(C)C)c2)cs1 ZINC000095422171 567132429 /nfs/dbraw/zinc/13/24/29/567132429.db2.gz DXOAEFMLFRGKTR-MNOVXSKESA-N 0 0 278.425 3.641 50 0 CHAARN CC[C@H](SC)C(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000095431433 567134700 /nfs/dbraw/zinc/13/47/00/567134700.db2.gz ZLKMXCUATAYNGW-AWEZNQCLSA-N 0 0 281.421 3.904 50 0 CHAARN Cc1nccn1C[C@H](C)COc1ccc(F)cc1Cl ZINC000095455656 567134774 /nfs/dbraw/zinc/13/47/74/567134774.db2.gz GQDLOQWHMXEIJA-JTQLQIEISA-N 0 0 282.746 3.699 50 0 CHAARN Cc1cnc([C@H](C)Nc2ncnc3cc(Cl)ccc32)o1 ZINC000095466023 567135934 /nfs/dbraw/zinc/13/59/34/567135934.db2.gz YJFMNVGCZSISOZ-VIFPVBQESA-N 0 0 288.738 3.753 50 0 CHAARN CC(C)n1ccc2c1cccc2NC(=O)c1ccncc1 ZINC000095472242 567136101 /nfs/dbraw/zinc/13/61/01/567136101.db2.gz XPBBLQIDIDLPQU-UHFFFAOYSA-N 0 0 279.343 3.870 50 0 CHAARN Cc1cc(NC(=O)c2cccc3c2ccn3C(C)C)nn1C ZINC000095475492 567136622 /nfs/dbraw/zinc/13/66/22/567136622.db2.gz VGLMNOKFDQAFFT-UHFFFAOYSA-N 0 0 296.374 3.516 50 0 CHAARN CCCOC(=O)[C@@H](c1ccccc1Cl)N1CCCCC1 ZINC000096026429 567137065 /nfs/dbraw/zinc/13/70/65/567137065.db2.gz KAGTVSRHEOYTFB-OAHLLOKOSA-N 0 0 295.810 3.820 50 0 CHAARN CC(=O)c1ccc(CCCCc2ccncc2)cc1 ZINC000096027127 567138376 /nfs/dbraw/zinc/13/83/76/567138376.db2.gz IPSQWVLFCQEHHR-UHFFFAOYSA-N 0 0 253.345 3.850 50 0 CHAARN C[C@H](c1cccs1)N(C)C(=O)/C=C\c1ccco1 ZINC000096305215 567141252 /nfs/dbraw/zinc/14/12/52/567141252.db2.gz KWIPIHXAILEAIW-SKVAFPRGSA-N 0 0 261.346 3.574 50 0 CHAARN C[C@H]1CCCN(C(=O)/C=C\c2cccc3cccnc23)CC1 ZINC000096402069 567141615 /nfs/dbraw/zinc/14/16/15/567141615.db2.gz KYNDCGBUPVPNMH-KVPUOBJLSA-N 0 0 294.398 3.897 50 0 CHAARN COCCN(C)C(=O)Nc1sc2ccccc2c1Cl ZINC000096406758 567143731 /nfs/dbraw/zinc/14/37/31/567143731.db2.gz VTNVGFQKNOQYEF-UHFFFAOYSA-N 0 0 298.795 3.665 50 0 CHAARN CC(=O)c1ccccc1C(=O)N1Cc2ccccc2[C@H]1C ZINC000334435735 567143787 /nfs/dbraw/zinc/14/37/87/567143787.db2.gz PBLNFABMFOEHKB-GFCCVEGCSA-N 0 0 279.339 3.606 50 0 CHAARN CC[C@@H](C)[C@@H](C(=O)NCc1nccs1)c1ccccc1 ZINC000096408383 567144235 /nfs/dbraw/zinc/14/42/35/567144235.db2.gz ACYFJOLDPMOSDK-IUODEOHRSA-N 0 0 288.416 3.589 50 0 CHAARN O=C(NCc1cccnc1-c1ccsc1)[C@@H]1CC=CCC1 ZINC000225645573 567146518 /nfs/dbraw/zinc/14/65/18/567146518.db2.gz FSMXNJALCLEQCJ-CYBMUJFWSA-N 0 0 298.411 3.783 50 0 CHAARN Cc1nnc([C@H](C)N(C)Cc2cc(Cl)ccc2F)s1 ZINC000225772738 567147888 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/nfs/dbraw/zinc/18/02/28/567180228.db2.gz KFEDPVATVGWZJY-LBPRGKRZSA-N 0 0 288.391 3.683 50 0 CHAARN C[C@H]1CCCC[C@H]1NC(=O)c1cccc(Br)c1 ZINC000003613648 567180343 /nfs/dbraw/zinc/18/03/43/567180343.db2.gz SPKGAGSONNJNFU-GXFFZTMASA-N 0 0 296.208 3.758 50 0 CHAARN O=C(N[C@H]1CCSc2ccccc21)c1ccc(Cl)o1 ZINC000031793235 567182914 /nfs/dbraw/zinc/18/29/14/567182914.db2.gz JJGIRHWESGOSFU-JTQLQIEISA-N 0 0 293.775 3.900 50 0 CHAARN O=C(C1CCCC1)N(Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000032091252 567187689 /nfs/dbraw/zinc/18/76/89/567187689.db2.gz DIBQUJBBXNVYQH-UHFFFAOYSA-N 0 0 282.387 3.849 50 0 CHAARN C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21CO1 ZINC000004083621 567187714 /nfs/dbraw/zinc/18/77/14/567187714.db2.gz DNQOQHDYFBYTLC-ZOVJDJALSA-N 0 0 286.415 3.897 50 0 biogenic CHAARN Cc1cc2cc(CNC(=O)c3ccccc3F)ccc2[nH]1 ZINC000004138035 567189662 /nfs/dbraw/zinc/18/96/62/567189662.db2.gz NPJVHXCKMYVLCY-UHFFFAOYSA-N 0 0 282.318 3.545 50 0 CHAARN Cc1ccc(NC(=O)Cc2csc(C(C)C)n2)cc1 ZINC000032480284 567192400 /nfs/dbraw/zinc/19/24/00/567192400.db2.gz QFMFWCAAHWFZNY-UHFFFAOYSA-N 0 0 274.389 3.756 50 0 CHAARN CCc1nc2c3ccccc3oc2c(N(CC)CC)n1 ZINC000004301734 567193733 /nfs/dbraw/zinc/19/37/33/567193733.db2.gz PXNCSTZMSVXPBV-UHFFFAOYSA-N 0 0 269.348 3.785 50 0 CHAARN CCCCc1ccc(CN2CCc3nc(C)[nH]c3C2)cc1 ZINC000670465613 567194610 /nfs/dbraw/zinc/19/46/10/567194610.db2.gz ISESNTWEEWKQCP-UHFFFAOYSA-N 0 0 283.419 3.619 50 0 CHAARN O=C(OC1CCCC1)c1cccn1Cc1cccs1 ZINC000066520115 567194864 /nfs/dbraw/zinc/19/48/64/567194864.db2.gz HFSIIXJXHCZZOJ-UHFFFAOYSA-N 0 0 275.373 3.697 50 0 CHAARN Cc1cccc(NC(=O)c2cc3ccccc3oc2=N)c1C ZINC000067190170 567195492 /nfs/dbraw/zinc/19/54/92/567195492.db2.gz VWVFHUDLQUZVTJ-UHFFFAOYSA-N 0 0 292.338 3.781 50 0 CHAARN Cc1cccc(CNc2cc(CO)ccc2Cl)c1 ZINC000068923552 567199227 /nfs/dbraw/zinc/19/92/27/567199227.db2.gz GMAQJOLKKVNWEG-UHFFFAOYSA-N 0 0 261.752 3.753 50 0 CHAARN Cn1ccc(CS[C@@H]2CCCc3ccccc32)cc1=O ZINC000069511454 567200908 /nfs/dbraw/zinc/20/09/08/567200908.db2.gz SBURLLGMSSSBMR-MRXNPFEDSA-N 0 0 285.412 3.696 50 0 CHAARN CC[C@@H](C)NC(=O)N(Cc1ccco1)C1CCCC1 ZINC000069420426 567201096 /nfs/dbraw/zinc/20/10/96/567201096.db2.gz DMOSEUFAXYAIGW-GFCCVEGCSA-N 0 0 264.369 3.532 50 0 CHAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000010321922 567204248 /nfs/dbraw/zinc/20/42/48/567204248.db2.gz BUCRDNJATNFKPP-IUODEOHRSA-N 0 0 291.354 3.596 50 0 CHAARN C[C@@H](c1ccccc1)N(C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000010370629 567204349 /nfs/dbraw/zinc/20/43/49/567204349.db2.gz FHDNOEFTTDQUOC-YCPHGPKFSA-N 0 0 274.408 3.968 50 0 CHAARN CC[C@H]1c2ccsc2CCN1C(=O)c1occc1C ZINC000042007024 567205010 /nfs/dbraw/zinc/20/50/10/567205010.db2.gz GSFBIWZZELKOJK-LBPRGKRZSA-N 0 0 275.373 3.799 50 0 CHAARN Cc1ccc(CCC(=O)N2CCc3ccccc32)cc1 ZINC000010328629 567205148 /nfs/dbraw/zinc/20/51/48/567205148.db2.gz XRQDNXPBAUTUGD-UHFFFAOYSA-N 0 0 265.356 3.517 50 0 CHAARN COc1ccc(NC(=O)Cc2ccc(SC)cc2)cc1 ZINC000010252351 567205317 /nfs/dbraw/zinc/20/53/17/567205317.db2.gz GRYNFYWUCKROLU-UHFFFAOYSA-N 0 0 287.384 3.598 50 0 CHAARN O=C(Cc1cccc2ccccc21)NOCc1ccccc1 ZINC000010318820 567205396 /nfs/dbraw/zinc/20/53/96/567205396.db2.gz YEZZPISNEMFZNV-UHFFFAOYSA-N 0 0 291.350 3.630 50 0 CHAARN COc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 ZINC000010221299 567205467 /nfs/dbraw/zinc/20/54/67/567205467.db2.gz CGJUFKBYYSNHFX-UHFFFAOYSA-N 0 0 295.382 3.547 50 0 CHAARN Cc1nc2cc(NC(=O)C=Cc3ccccc3)ccc2[nH]1 ZINC000042060532 567206178 /nfs/dbraw/zinc/20/61/78/567206178.db2.gz ZGHCAMSFUHJSFU-JXMROGBWSA-N 0 0 277.327 3.523 50 0 CHAARN C[C@H](Oc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000010449968 567207256 /nfs/dbraw/zinc/20/72/56/567207256.db2.gz XRCOJZOQKGXWLI-OLZOCXBDSA-N 0 0 299.345 3.571 50 0 CHAARN Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccccc1F ZINC000024894823 567213384 /nfs/dbraw/zinc/21/33/84/567213384.db2.gz GPDPTCRMDCQMJK-OAHLLOKOSA-N 0 0 287.338 3.533 50 0 CHAARN O=C(C1CCCC1)N1CCC(c2ccccc2)CC1 ZINC000032908295 567215202 /nfs/dbraw/zinc/21/52/02/567215202.db2.gz GTSXKBMXTSRFMP-UHFFFAOYSA-N 0 0 257.377 3.583 50 0 CHAARN CC[C@H](C(=O)N(C)c1ccccc1)c1ccccc1 ZINC000000030599 567816393 /nfs/dbraw/zinc/81/63/93/567816393.db2.gz CNMYWOVUTPAJMI-INIZCTEOSA-N 0 0 253.345 3.843 50 0 CHAARN Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000000029110 567816394 /nfs/dbraw/zinc/81/63/94/567816394.db2.gz MOTGXWMYGNTTBS-HNNXBMFYSA-N 0 0 283.371 3.560 50 0 CHAARN C[C@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000000030121 567816607 /nfs/dbraw/zinc/81/66/07/567816607.db2.gz UEFLVNWAPMVZQD-VIFPVBQESA-N 0 0 272.175 3.866 50 0 CHAARN Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1Cl ZINC000000029812 567816613 /nfs/dbraw/zinc/81/66/13/567816613.db2.gz IMQJGZLZQIWDCK-UHFFFAOYSA-N 0 0 295.791 3.590 50 0 CHAARN O=c1oc(-c2ccncc2)nc2sc3c(c21)CCCCC3 ZINC000000035933 567816671 /nfs/dbraw/zinc/81/66/71/567816671.db2.gz VJUYJIMTTPMGKQ-UHFFFAOYSA-N 0 0 298.367 3.580 50 0 CHAARN Cc1cc(Cl)ccc1NC(=O)c1cccs1 ZINC000000037551 567816692 /nfs/dbraw/zinc/81/66/92/567816692.db2.gz KQUKTZITGYFOHU-UHFFFAOYSA-N 0 0 251.738 3.962 50 0 CHAARN CC[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000000030793 567816697 /nfs/dbraw/zinc/81/66/97/567816697.db2.gz PNIGRGJSPQSGQK-MRXNPFEDSA-N 0 0 269.344 3.828 50 0 CHAARN COc1ccc(OC)c(NC(=O)c2cc3ccccc3o2)c1 ZINC000000037935 567816799 /nfs/dbraw/zinc/81/67/99/567816799.db2.gz XZPYUJYIBAXLIJ-UHFFFAOYSA-N 0 0 297.310 3.702 50 0 CHAARN CCOc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1 ZINC000000044488 567816996 /nfs/dbraw/zinc/81/69/96/567816996.db2.gz YLHRHWMRKCVHGT-UHFFFAOYSA-N 0 0 299.370 3.720 50 0 CHAARN O=C1C[C@@H](c2ccco2)c2ccc3ccccc3c2N1 ZINC000000052763 567817148 /nfs/dbraw/zinc/81/71/48/567817148.db2.gz FDYILVGULSDTRL-CQSZACIVSA-N 0 0 263.296 3.907 50 0 CHAARN CC[C@H](C)c1ccc(NC(=O)c2cccnc2)cc1 ZINC000000064808 567817432 /nfs/dbraw/zinc/81/74/32/567817432.db2.gz SUEPHJZWOCMERQ-LBPRGKRZSA-N 0 0 254.333 3.847 50 0 CHAARN CN(C)c1cccc(C(=O)Nc2cccc(Cl)c2)c1 ZINC000000060787 567817487 /nfs/dbraw/zinc/81/74/87/567817487.db2.gz CVTHNNWZRJCXFN-UHFFFAOYSA-N 0 0 274.751 3.658 50 0 CHAARN COc1ccc(CCCc2nc3ccccc3[nH]2)cc1 ZINC000000073702 567817594 /nfs/dbraw/zinc/81/75/94/567817594.db2.gz IVCCYLMOMPQERQ-UHFFFAOYSA-N 0 0 266.344 3.747 50 0 CHAARN Cc1ccc(NC(=S)Nc2ccccc2N)c(C)c1 ZINC000000071549 567817622 /nfs/dbraw/zinc/81/76/22/567817622.db2.gz NWEJLFXOYQETCX-UHFFFAOYSA-N 0 0 271.389 3.695 50 0 CHAARN S=C(NCc1ccccc1)Nc1ccccc1Cl ZINC000000075489 567817634 /nfs/dbraw/zinc/81/76/34/567817634.db2.gz UQPJXCPVCQDMNM-UHFFFAOYSA-N 0 0 276.792 3.827 50 0 CHAARN Nc1cc(C(F)(F)F)ccc1NCc1ccccc1 ZINC000000068276 567817667 /nfs/dbraw/zinc/81/76/67/567817667.db2.gz UAUSRDXUDXPKCZ-UHFFFAOYSA-N 0 0 266.266 3.900 50 0 CHAARN COc1cc(-c2onc3ccc(Cl)cc32)ccc1O ZINC000000083355 567817767 /nfs/dbraw/zinc/81/77/67/567817767.db2.gz YVZYVEABDOAZHF-UHFFFAOYSA-N 0 0 275.691 3.862 50 0 CHAARN c1ccc(CNc2ccc(-c3ccccc3)nn2)cc1 ZINC000000087761 567817785 /nfs/dbraw/zinc/81/77/85/567817785.db2.gz FDMOCXYMRCQLFO-UHFFFAOYSA-N 0 0 261.328 3.756 50 0 CHAARN Cc1cc(C(F)(F)F)n2nc(-c3cccs3)cc2n1 ZINC000000096535 567818050 /nfs/dbraw/zinc/81/80/50/567818050.db2.gz BGHPAZLYLKZYHQ-UHFFFAOYSA-N 0 0 283.278 3.785 50 0 CHAARN CCc1cc(=O)oc2cc3oc4c(c3cc12)CCCC4 ZINC000000095154 567818066 /nfs/dbraw/zinc/81/80/66/567818066.db2.gz IVVVKLCMTBRXMF-UHFFFAOYSA-N 0 0 268.312 3.980 50 0 biogenic CHAARN O=C(C[C@H]1OC(=O)c2ccccc21)c1ccc(Cl)s1 ZINC000000101318 567818182 /nfs/dbraw/zinc/81/81/82/567818182.db2.gz BVSAZXANXALXQP-LLVKDONJSA-N 0 0 292.743 3.886 50 0 CHAARN CSc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 ZINC000000100672 567818306 /nfs/dbraw/zinc/81/83/06/567818306.db2.gz PXCPXPCAXFUXPM-PTNGSMBKSA-N 0 0 295.363 3.753 50 0 CHAARN CC[C@@H](C)NC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000000116973 567818624 /nfs/dbraw/zinc/81/86/24/567818624.db2.gz MYGMISACVHBVET-SECBINFHSA-N 0 0 292.766 3.832 50 0 CHAARN CC(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2)cc1 ZINC000000113966 567818818 /nfs/dbraw/zinc/81/88/18/567818818.db2.gz NYTCUHJCCYJJIL-MRXNPFEDSA-N 0 0 266.344 3.664 50 0 CHAARN COc1ccccc1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000121815 567819071 /nfs/dbraw/zinc/81/90/71/567819071.db2.gz LPSLPISXUOSNMQ-UHFFFAOYSA-N 0 0 289.762 3.838 50 0 CHAARN Cn1ccc(-c2cccc(NC(=O)Nc3ccccc3)c2)n1 ZINC000000125254 567819097 /nfs/dbraw/zinc/81/90/97/567819097.db2.gz JESFUBYEPPFHBK-UHFFFAOYSA-N 0 0 292.342 3.731 50 0 CHAARN CCOc1ccc(C(=O)N(CC)c2ccccc2)cc1 ZINC000000123287 567819174 /nfs/dbraw/zinc/81/91/74/567819174.db2.gz XXGDSOAQSPXIGV-UHFFFAOYSA-N 0 0 269.344 3.752 50 0 CHAARN CCOc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000000128754 567819386 /nfs/dbraw/zinc/81/93/86/567819386.db2.gz CHDBZNZUQCQBPE-CYBMUJFWSA-N 0 0 269.344 3.576 50 0 CHAARN COc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1 ZINC000000133066 567819416 /nfs/dbraw/zinc/81/94/16/567819416.db2.gz QLBQSKCZGQWTBU-UHFFFAOYSA-N 0 0 297.310 3.702 50 0 CHAARN Cc1ccc(C)c(NC(=O)COc2ccccc2C)c1 ZINC000000130089 567819473 /nfs/dbraw/zinc/81/94/73/567819473.db2.gz DYIDTKBVCYQPAU-UHFFFAOYSA-N 0 0 269.344 3.629 50 0 CHAARN Cc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000137674 567819650 /nfs/dbraw/zinc/81/96/50/567819650.db2.gz VQKBQONVGVYFCF-UHFFFAOYSA-N 0 0 274.751 3.970 50 0 CHAARN Cc1ccc(NC(=O)c2cccc(F)c2F)cc1C ZINC000000138131 567819733 /nfs/dbraw/zinc/81/97/33/567819733.db2.gz NKMXOSDXTVQMPZ-UHFFFAOYSA-N 0 0 261.271 3.834 50 0 CHAARN COc1ccc(C(C)=O)cc1CSc1ccccn1 ZINC000000137649 567819807 /nfs/dbraw/zinc/81/98/07/567819807.db2.gz LIQIPZQFCBWMRN-UHFFFAOYSA-N 0 0 273.357 3.585 50 0 CHAARN COc1ccccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000000136800 567819835 /nfs/dbraw/zinc/81/98/35/567819835.db2.gz AEMGYFDZIJRTPJ-UHFFFAOYSA-N 0 0 275.735 3.530 50 0 biogenic CHAARN Nc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000000140737 567819914 /nfs/dbraw/zinc/81/99/14/567819914.db2.gz GHMQDKBUBCXCIU-UHFFFAOYSA-N 0 0 280.249 3.540 50 0 CHAARN CC(C)CN(CC(C)C)C(=O)/C=C/c1ccccc1 ZINC000000146121 567819916 /nfs/dbraw/zinc/81/99/16/567819916.db2.gz KDAFGAHTMUPFDX-ZHACJKMWSA-N 0 0 259.393 3.840 50 0 CHAARN CCc1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000000146135 567820002 /nfs/dbraw/zinc/82/00/02/567820002.db2.gz GIKXDECTKUYAMO-JLHYYAGUSA-N 0 0 251.329 3.901 50 0 CHAARN O=C(Nc1ccc(Br)cc1)c1ccccc1F ZINC000000139726 567820124 /nfs/dbraw/zinc/82/01/24/567820124.db2.gz FQVDFZONSTVCKX-UHFFFAOYSA-N 0 0 294.123 3.841 50 0 CHAARN CN(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000145147 567820194 /nfs/dbraw/zinc/82/01/94/567820194.db2.gz UHEAXRJEZXIZAT-UHFFFAOYSA-N 0 0 257.177 3.790 50 0 CHAARN Cc1oc(C(C)(C)C)cc1C(=O)NC1Cc2ccccc2C1 ZINC000000148177 567820263 /nfs/dbraw/zinc/82/02/63/567820263.db2.gz VYCQYGGXJCLHNQ-UHFFFAOYSA-N 0 0 297.398 3.783 50 0 CHAARN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1 ZINC000000146752 567820401 /nfs/dbraw/zinc/82/04/01/567820401.db2.gz UTNFCWOGNMOHHP-UHFFFAOYSA-N 0 0 297.236 3.624 50 0 CHAARN CC(C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000000150312 567820452 /nfs/dbraw/zinc/82/04/52/567820452.db2.gz FCJLECCXIPNERR-UHFFFAOYSA-N 0 0 264.325 3.544 50 0 CHAARN Cc1sc2ncnc(Nc3ccc(O)cc3)c2c1C ZINC000000148656 567820518 /nfs/dbraw/zinc/82/05/18/567820518.db2.gz VCSVHMZXGGPANP-UHFFFAOYSA-N 0 0 271.345 3.757 50 0 CHAARN Cc1cc(C)cc(NC(=O)N(C)Cc2ccccc2)c1 ZINC000000155801 567820628 /nfs/dbraw/zinc/82/06/28/567820628.db2.gz SMVJWHNDUFPHPG-UHFFFAOYSA-N 0 0 268.360 3.967 50 0 CHAARN COc1c(C)c(OCc2ccccc2)ccc1C(C)=O ZINC000000156051 567820681 /nfs/dbraw/zinc/82/06/81/567820681.db2.gz ARIPVVKYYGZBBM-UHFFFAOYSA-N 0 0 270.328 3.785 50 0 CHAARN Cc1cccc(C(=O)C2=NNC[C@H]2c2ccc(Cl)cc2)c1 ZINC000000161738 567820868 /nfs/dbraw/zinc/82/08/68/567820868.db2.gz YERBIDCJTKFQRE-HNNXBMFYSA-N 0 0 298.773 3.574 50 0 CHAARN Cc1cc(C(=O)n2ccc(-c3cccs3)n2)c(C)o1 ZINC000000156429 567820874 /nfs/dbraw/zinc/82/08/74/567820874.db2.gz CTIKVCPCILYUIF-UHFFFAOYSA-N 0 0 272.329 3.510 50 0 CHAARN O=C(/C=C/c1cccc2ccccc12)N1CCCCC1 ZINC000000164820 567821084 /nfs/dbraw/zinc/82/10/84/567821084.db2.gz RYEDDBQSQGAGHC-VAWYXSNFSA-N 0 0 265.356 3.866 50 0 CHAARN O=C(Nc1ccccc1Cl)c1ccnc(Cl)c1 ZINC000000166811 567821153 /nfs/dbraw/zinc/82/11/53/567821153.db2.gz UPDYFOQZRUIKIQ-UHFFFAOYSA-N 0 0 267.115 3.641 50 0 CHAARN O=C(NC(=S)Nc1ccc(Cl)cc1)c1cccs1 ZINC000000174088 567821511 /nfs/dbraw/zinc/82/15/11/567821511.db2.gz CWBOMJABCYVOMK-UHFFFAOYSA-N 0 0 296.804 3.528 50 0 CHAARN CC(C)Oc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000000170955 567821516 /nfs/dbraw/zinc/82/15/16/567821516.db2.gz MYAGACUQLWXZPH-UHFFFAOYSA-N 0 0 290.750 3.775 50 0 CHAARN Cc1c2cc(Cl)ccc2sc1C(=O)Cn1ccnc1 ZINC000000172260 567821532 /nfs/dbraw/zinc/82/15/32/567821532.db2.gz SFAAELCKDQSNPV-UHFFFAOYSA-N 0 0 290.775 3.943 50 0 CHAARN Cc1ccnc(NC(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000000177875 567821626 /nfs/dbraw/zinc/82/16/26/567821626.db2.gz DPNSAQVSMAUFOS-UHFFFAOYSA-N 0 0 284.359 3.677 50 0 CHAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(F)cc2)cc1 ZINC000000179957 567821656 /nfs/dbraw/zinc/82/16/56/567821656.db2.gz XIYYIJMNJAUFBO-INIZCTEOSA-N 0 0 287.359 3.913 50 0 CHAARN COc1ccc(C(=O)Nc2nc3c(cccc3C)s2)cc1 ZINC000000190891 567821670 /nfs/dbraw/zinc/82/16/70/567821670.db2.gz UECHPNJSABSJNB-UHFFFAOYSA-N 0 0 298.367 3.866 50 0 CHAARN CCc1cccc(CC)c1N1C(=O)c2ccccc2C1=O ZINC000000179881 567821820 /nfs/dbraw/zinc/82/18/20/567821820.db2.gz SWUDAFKDZAPOTA-UHFFFAOYSA-N 0 0 279.339 3.612 50 0 CHAARN C[C@@H]1S[C@@H](c2ccccc2)N(CCc2ccccc2)C1=O ZINC000000208818 567822119 /nfs/dbraw/zinc/82/21/19/567822119.db2.gz MHTPHNMQFNQPQF-KSSFIOAISA-N 0 0 297.423 3.892 50 0 CHAARN COc1ccc2oc(=O)c(-c3nc4ccccc4o3)cc2c1 ZINC000000193157 567822148 /nfs/dbraw/zinc/82/21/48/567822148.db2.gz SWJHDCRRCWPBSX-UHFFFAOYSA-N 0 0 293.278 3.610 50 0 CHAARN Cc1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000000247730 567822805 /nfs/dbraw/zinc/82/28/05/567822805.db2.gz CNQCMKHNIQPEMO-UHFFFAOYSA-N 0 0 289.400 3.721 50 0 CHAARN Cc1ccc(C(=O)c2coc3ccc(Cl)cc3c2=O)cc1 ZINC000000265007 567823412 /nfs/dbraw/zinc/82/34/12/567823412.db2.gz DQSAJJRZHBFOBW-UHFFFAOYSA-N 0 0 298.725 3.986 50 0 CHAARN COc1ccc([C@H]2N=C(c3ccccc3)C(C)(C)N2O)cc1 ZINC000000275545 567823442 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Cc1cc(C)c(C(=O)Oc2ncnc3ccccc32)c(C)c1 ZINC000000367563 567827495 /nfs/dbraw/zinc/82/74/95/567827495.db2.gz ZPUORLMPZRXAOW-UHFFFAOYSA-N 0 0 292.338 3.774 50 0 CHAARN O=C(Oc1ccc2ccc(O)cc2c1)c1cccc(F)c1 ZINC000000364984 567827497 /nfs/dbraw/zinc/82/74/97/567827497.db2.gz MSVNKCFDCVINRN-UHFFFAOYSA-N 0 0 282.270 3.904 50 0 CHAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1 ZINC000000369247 567827546 /nfs/dbraw/zinc/82/75/46/567827546.db2.gz CDBIAKDFBMVUAC-INIZCTEOSA-N 0 0 269.344 3.791 50 0 CHAARN C[C@@H]1CCc2c(sc(N)c2C(=O)NC2CCCCC2)C1 ZINC000000374669 567827607 /nfs/dbraw/zinc/82/76/07/567827607.db2.gz PJTXSLCASVKCCQ-SNVBAGLBSA-N 0 0 292.448 3.518 50 0 CHAARN Cc1ccc([C@H](C)NC(=O)c2cccs2)cc1C ZINC000000370807 567827799 /nfs/dbraw/zinc/82/77/99/567827799.db2.gz PFLJDSVIHIJCCE-LBPRGKRZSA-N 0 0 259.374 3.856 50 0 CHAARN CC(C)c1ncc([C@@H](O)c2ccc(C(C)C)cc2)n1C ZINC000000373006 567827813 /nfs/dbraw/zinc/82/78/13/567827813.db2.gz QIBIUBZZLZHBID-INIZCTEOSA-N 0 0 272.392 3.749 50 0 CHAARN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000000380191 567827929 /nfs/dbraw/zinc/82/79/29/567827929.db2.gz SSQKLYOJQHOZOO-UHFFFAOYSA-N 0 0 295.791 3.758 50 0 CHAARN Cc1nc(Cl)sc1C(=O)Oc1cccc(C)c1 ZINC000000384922 567828307 /nfs/dbraw/zinc/82/83/07/567828307.db2.gz RVBZDAIUINRNMQ-UHFFFAOYSA-N 0 0 267.737 3.633 50 0 CHAARN COc1cccc(NC(=O)c2cc(C)cc(C)c2)c1 ZINC000000385067 567828310 /nfs/dbraw/zinc/82/83/10/567828310.db2.gz YVPVJFFDIZLDJW-UHFFFAOYSA-N 0 0 255.317 3.564 50 0 CHAARN Cc1c(-c2ccccc2)[nH]c(-c2c[nH]c3ccccc23)[n+]1[O-] ZINC000000389960 567828362 /nfs/dbraw/zinc/82/83/62/567828362.db2.gz BZALVLFUMUBEFI-UHFFFAOYSA-N 0 0 289.338 3.772 50 0 CHAARN Cc1ccc(CNC(=O)c2ccccc2Cl)c(C)c1 ZINC000000390005 567828388 /nfs/dbraw/zinc/82/83/88/567828388.db2.gz WVHJUDGUZFEXMO-UHFFFAOYSA-N 0 0 273.763 3.887 50 0 CHAARN Cc1cc(C)cc(Cn2c3ccccc3sc2=O)c1 ZINC000000389909 567828482 /nfs/dbraw/zinc/82/84/82/567828482.db2.gz PVAXENNXBUSLAF-UHFFFAOYSA-N 0 0 269.369 3.728 50 0 CHAARN 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Cc1ccc2nsnc2c1NC(=O)/C=C/c1ccccc1 ZINC000000444028 567830457 /nfs/dbraw/zinc/83/04/57/567830457.db2.gz VSVACYKFDYSDRZ-CSKARUKUSA-N 0 0 295.367 3.652 50 0 CHAARN Cc1ccc(/C=C/C(=O)Nc2ccc(F)cc2)cc1 ZINC000000445259 567830673 /nfs/dbraw/zinc/83/06/73/567830673.db2.gz GFNYQIDGPCSBDD-IZZDOVSWSA-N 0 0 255.292 3.786 50 0 CHAARN CCC[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000449719 567830728 /nfs/dbraw/zinc/83/07/28/567830728.db2.gz ARDYECYBETXQFD-QMMMGPOBSA-N 0 0 260.164 3.912 50 0 in-vitro CHAARN CN(C(=O)CCc1nc2ccccc2s1)c1ccccc1 ZINC000000453267 567830885 /nfs/dbraw/zinc/83/08/85/567830885.db2.gz HUUKRCCJBQDPPD-UHFFFAOYSA-N 0 0 296.395 3.892 50 0 CHAARN Cc1ccc(C(=O)CCC(=O)Nc2ccccc2F)cc1 ZINC000000451148 567830904 /nfs/dbraw/zinc/83/09/04/567830904.db2.gz YUOZGIAWHDCZMN-UHFFFAOYSA-N 0 0 285.318 3.736 50 0 CHAARN CCOc1ccc([C@H](C)NC(=O)c2ccccc2C)cc1 ZINC000000450940 567830947 /nfs/dbraw/zinc/83/09/47/567830947.db2.gz YSWRLESWRXAETF-AWEZNQCLSA-N 0 0 283.371 3.885 50 0 CHAARN 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ZINC000000466755 567831713 /nfs/dbraw/zinc/83/17/13/567831713.db2.gz PHXXNOOSGAGIII-UHFFFAOYSA-N 0 0 261.409 3.508 50 0 CHAARN COc1ccc(-c2noc(CCc3ccccc3)n2)cc1 ZINC000000462726 567831735 /nfs/dbraw/zinc/83/17/35/567831735.db2.gz YSXLJBBJOHXUBE-UHFFFAOYSA-N 0 0 280.327 3.530 50 0 CHAARN CCC(=O)Oc1ccc(C(=O)Nc2ccc(C)cc2)cc1 ZINC000000462102 567831749 /nfs/dbraw/zinc/83/17/49/567831749.db2.gz ZSMGMWXTHYRJFV-UHFFFAOYSA-N 0 0 283.327 3.563 50 0 CHAARN C[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000000478177 567832778 /nfs/dbraw/zinc/83/27/78/567832778.db2.gz XFSAQXHAIMAZTD-ZDUSSCGKSA-N 0 0 255.317 3.674 50 0 CHAARN COc1cc(NC(=O)c2ccc(C)cc2C)cc(OC)c1 ZINC000000514588 567832916 /nfs/dbraw/zinc/83/29/16/567832916.db2.gz LOHLDMOVDRMHBO-UHFFFAOYSA-N 0 0 285.343 3.573 50 0 CHAARN CC[C@H](C)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000000527805 567833285 /nfs/dbraw/zinc/83/32/85/567833285.db2.gz UFAWJEYPTRCZAZ-NSHDSACASA-N 0 0 286.331 3.517 50 0 CHAARN CC(=O)N1c2ccc(F)cc2[C@H](C)CC12CCCC2 ZINC000000527919 567833372 /nfs/dbraw/zinc/83/33/72/567833372.db2.gz IDNZIBIHMGGZFI-LLVKDONJSA-N 0 0 261.340 3.999 50 0 CHAARN O=C(COc1ccc2ccccc2c1)NC1CCCCC1 ZINC000000586812 567833907 /nfs/dbraw/zinc/83/39/07/567833907.db2.gz GXTIZAYVAIUILD-UHFFFAOYSA-N 0 0 283.371 3.668 50 0 CHAARN Cc1cccc(C(=O)NCc2ccc(Cl)cc2)c1 ZINC000000579325 567834026 /nfs/dbraw/zinc/83/40/26/567834026.db2.gz SKCBZDMVJQEKIO-UHFFFAOYSA-N 0 0 259.736 3.578 50 0 CHAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1 ZINC000000579668 567834057 /nfs/dbraw/zinc/83/40/57/567834057.db2.gz SNSNBINMIRPJBY-LLVKDONJSA-N 0 0 275.735 3.746 50 0 CHAARN O=C(CSc1ccccc1)Nc1cccc(F)c1 ZINC000000578052 567834166 /nfs/dbraw/zinc/83/41/66/567834166.db2.gz XAQFCCOZOCSSBT-UHFFFAOYSA-N 0 0 261.321 3.557 50 0 CHAARN O=C(NCc1ccccn1)c1ccccc1-c1ccccc1 ZINC000000618388 567834551 /nfs/dbraw/zinc/83/45/51/567834551.db2.gz BRJVJIFWOIZWMY-UHFFFAOYSA-N 0 0 288.350 3.679 50 0 CHAARN Cc1ccc(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000000620052 567834634 /nfs/dbraw/zinc/83/46/34/567834634.db2.gz FOKGSTRHETVAOS-KBPBESRZSA-N 0 0 277.433 3.592 50 0 CHAARN CCN(CC)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002147334 567834837 /nfs/dbraw/zinc/83/48/37/567834837.db2.gz BZWDWXFJYOSXNY-UHFFFAOYSA-N 0 0 260.259 3.579 50 0 CHAARN Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)no2)cc1 ZINC000000815078 567834933 /nfs/dbraw/zinc/83/49/33/567834933.db2.gz VPTVAHUEOAHAQD-CYBMUJFWSA-N 0 0 284.359 3.665 50 0 CHAARN O=C(Nc1cccnc1)c1cc(-c2ccccc2Cl)on1 ZINC000000815158 567835100 /nfs/dbraw/zinc/83/51/00/567835100.db2.gz LBGMMGIAZOLJTF-UHFFFAOYSA-N 0 0 299.717 3.642 50 0 CHAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C)n1 ZINC000000860283 567835139 /nfs/dbraw/zinc/83/51/39/567835139.db2.gz YZCRMFUXTZDHKS-UHFFFAOYSA-N 0 0 293.326 3.606 50 0 CHAARN CCOc1ccccc1C(=O)Oc1ccccc1C ZINC000001017224 567835821 /nfs/dbraw/zinc/83/58/21/567835821.db2.gz KCLATIJBFCOPTK-UHFFFAOYSA-N 0 0 256.301 3.613 50 0 CHAARN Cc1ccccc1O[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000001064723 567836195 /nfs/dbraw/zinc/83/61/95/567836195.db2.gz SSJJZMPCQNXTRL-HNNXBMFYSA-N 0 0 295.382 3.742 50 0 CHAARN O=C(c1cc2c(s1)CCCC2)N1CCc2ccccc2C1 ZINC000001055630 567836217 /nfs/dbraw/zinc/83/62/17/567836217.db2.gz XBRFEKNFCCLOQG-UHFFFAOYSA-N 0 0 297.423 3.825 50 0 CHAARN O=C(Nc1nnc(-c2ccccc2)s1)Nc1ccccc1 ZINC000001240063 567836629 /nfs/dbraw/zinc/83/66/29/567836629.db2.gz JQRLAWQPNSPNPH-UHFFFAOYSA-N 0 0 296.355 3.849 50 0 CHAARN CCOC(=O)c1sc(Nc2ccc(C)cc2C)nc1C ZINC000001256172 567836738 /nfs/dbraw/zinc/83/67/38/567836738.db2.gz LDNVOEDLYNMRGW-UHFFFAOYSA-N 0 0 290.388 3.989 50 0 CHAARN O=C1NC(=S)SC1=Cc1ccc(Cl)cc1 ZINC000001311506 567836755 /nfs/dbraw/zinc/83/67/55/567836755.db2.gz HIWUQEXWRIIIKB-VMPITWQZSA-N 0 0 255.751 3.669 50 0 CHAARN CSc1nc(=S)c2c3c(sc2[nH]1)COC(C)(C)C3 ZINC000001250183 567836849 /nfs/dbraw/zinc/83/68/49/567836849.db2.gz NEIVPRTZAHUZEA-UHFFFAOYSA-N 0 0 298.458 3.927 50 0 CHAARN CCCCOC(=O)c1ccc(C(=O)OCCCC)cc1 ZINC000001693418 567841648 /nfs/dbraw/zinc/84/16/48/567841648.db2.gz LQLQDKBJAIILIQ-UHFFFAOYSA-N 0 0 278.348 3.600 50 0 CHAARN COc1ccccc1NC(=O)c1ccccc1SC ZINC000001757355 567843268 /nfs/dbraw/zinc/84/32/68/567843268.db2.gz XEFNDXZNWILIQW-UHFFFAOYSA-N 0 0 273.357 3.669 50 0 CHAARN Cc1cccc(OCCCC(=O)NCCc2ccccc2)c1 ZINC000001773749 567843456 /nfs/dbraw/zinc/84/34/56/567843456.db2.gz WMOOSYKPXHCHQV-UHFFFAOYSA-N 0 0 297.398 3.513 50 0 CHAARN COc1ccc(OCCCC(=O)Nc2ccc(C)cc2)cc1 ZINC000001778171 567843506 /nfs/dbraw/zinc/84/35/06/567843506.db2.gz VTPFZINHQPSLRK-UHFFFAOYSA-N 0 0 299.370 3.801 50 0 CHAARN Clc1nc2ccccc2c(NCc2ccccc2)n1 ZINC000001826371 567843570 /nfs/dbraw/zinc/84/35/70/567843570.db2.gz JXCBIDUKEIBVKZ-UHFFFAOYSA-N 0 0 269.735 3.895 50 0 CHAARN CCCCc1ccc(C(=O)Nc2ccccc2O)cc1 ZINC000002023200 567844029 /nfs/dbraw/zinc/84/40/29/567844029.db2.gz IKXKVFLYQGESHW-UHFFFAOYSA-N 0 0 269.344 3.987 50 0 CHAARN O=C(Nc1cccc(Cl)c1)C(=O)c1c[nH]c2ccccc12 ZINC000002023726 567844064 /nfs/dbraw/zinc/84/40/64/567844064.db2.gz DHNRNKLKNOBIGW-UHFFFAOYSA-N 0 0 298.729 3.643 50 0 CHAARN Cc1ccccc1S(=O)(=O)Oc1ccc2ccccc2c1 ZINC000002061701 567844542 /nfs/dbraw/zinc/84/45/42/567844542.db2.gz WNKHCDDEMFRUKZ-UHFFFAOYSA-N 0 0 298.363 3.916 50 0 CHAARN CCCCc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000002180530 567845071 /nfs/dbraw/zinc/84/50/71/567845071.db2.gz DEQVZRCHRSLCOR-UHFFFAOYSA-N 0 0 278.355 3.728 50 0 CHAARN CC[C@H](C)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000002202616 567845099 /nfs/dbraw/zinc/84/50/99/567845099.db2.gz UHUKDEPAVQMMTP-JTQLQIEISA-N 0 0 278.783 3.526 50 0 CHAARN CC(=O)n1nc(-c2ccccc2)c(Cl)c1C(F)(F)F ZINC000002379335 567845421 /nfs/dbraw/zinc/84/54/21/567845421.db2.gz XKZXHXWVTWSXJA-UHFFFAOYSA-N 0 0 288.656 3.882 50 0 CHAARN S=C(NCc1cccs1)Nc1cccc(Cl)c1 ZINC000002497538 567846153 /nfs/dbraw/zinc/84/61/53/567846153.db2.gz HUQUGVIUYLNXEX-UHFFFAOYSA-N 0 0 282.821 3.888 50 0 CHAARN c1cn2cc(-c3ccc4c(c3)CCCC4)nc2s1 ZINC000002534094 567847689 /nfs/dbraw/zinc/84/76/89/567847689.db2.gz GWWXUKCTHCBOKZ-UHFFFAOYSA-N 0 0 254.358 3.942 50 0 CHAARN Nc1cccc(Oc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000002556313 567847997 /nfs/dbraw/zinc/84/79/97/567847997.db2.gz SDAARBLYPWZWOI-UHFFFAOYSA-N 0 0 275.176 3.757 50 0 CHAARN COC(=O)C[C@H](c1cn(C)c2ccccc12)c1ccccc1 ZINC000002548278 567848040 /nfs/dbraw/zinc/84/80/40/567848040.db2.gz NFIUVSIKIXOXQK-INIZCTEOSA-N 0 0 293.366 3.873 50 0 CHAARN CCOC(=O)CCC(=O)c1cccc(Cl)c1Cl ZINC000002580333 567848324 /nfs/dbraw/zinc/84/83/24/567848324.db2.gz BCBHDQZVFWUZRW-UHFFFAOYSA-N 0 0 275.131 3.519 50 0 CHAARN CCCc1ccc(C(=O)CCCC(=O)OCC)cc1 ZINC000002580359 567848434 /nfs/dbraw/zinc/84/84/34/567848434.db2.gz HPMDZCHEUROWRD-UHFFFAOYSA-N 0 0 262.349 3.555 50 0 CHAARN O=C(NCCCc1ccccc1)c1ccccc1Cl ZINC000002748655 567849130 /nfs/dbraw/zinc/84/91/30/567849130.db2.gz GQOIEPQGZDQGBA-UHFFFAOYSA-N 0 0 273.763 3.703 50 0 CHAARN O=C(Nc1c(F)c(F)c(F)c(F)c1F)C1CCCCC1 ZINC000002750942 567849168 /nfs/dbraw/zinc/84/91/68/567849168.db2.gz QQLHSULFALKJSV-UHFFFAOYSA-N 0 0 293.235 3.901 50 0 CHAARN CC(=O)Nc1ccc(C(=O)N[C@H](C)CCCC(C)C)cc1 ZINC000002729212 567849267 /nfs/dbraw/zinc/84/92/67/567849267.db2.gz ORMPWWHFASCUBD-CYBMUJFWSA-N 0 0 290.407 3.590 50 0 CHAARN COC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000002821682 567849543 /nfs/dbraw/zinc/84/95/43/567849543.db2.gz SKWQDBQCLUXTKF-UHFFFAOYSA-N 0 0 261.129 3.995 50 0 CHAARN Cc1ccccc1CSCCNC(=O)c1ccccc1C ZINC000002817605 567849547 /nfs/dbraw/zinc/84/95/47/567849547.db2.gz QVMAHZNDMXJYDG-UHFFFAOYSA-N 0 0 299.439 3.967 50 0 CHAARN CCCCc1ccc(NC(=S)NCC(C)C)cc1 ZINC000002835720 567849624 /nfs/dbraw/zinc/84/96/24/567849624.db2.gz OHJJPZLXWYUERG-UHFFFAOYSA-N 0 0 264.438 3.972 50 0 CHAARN CCCCOc1ccc(-c2nc(-c3ccncc3)no2)cc1 ZINC000002855137 567849756 /nfs/dbraw/zinc/84/97/56/567849756.db2.gz CKGKXDXZWCITCT-UHFFFAOYSA-N 0 0 295.342 3.978 50 0 CHAARN CCCCCC(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000002848837 567849816 /nfs/dbraw/zinc/84/98/16/567849816.db2.gz UMUFEBOOQNAGBD-UHFFFAOYSA-N 0 0 289.404 3.648 50 0 CHAARN CSc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000002875967 567849828 /nfs/dbraw/zinc/84/98/28/567849828.db2.gz ZABBMEVBBSCEFQ-UHFFFAOYSA-N 0 0 271.385 3.647 50 0 CHAARN C[C@H](Oc1ccccc1)C(=O)NC(C)(C)CC(C)(C)C ZINC000002865486 567849867 /nfs/dbraw/zinc/84/98/67/567849867.db2.gz NUWVEHYHKIVEEU-ZDUSSCGKSA-N 0 0 277.408 3.785 50 0 CHAARN Cc1sc2ncnc(N3CCC[C@@H](C)C3)c2c1C ZINC000002876400 567849881 /nfs/dbraw/zinc/84/98/81/567849881.db2.gz DKLFDWKNQKSJAS-SECBINFHSA-N 0 0 261.394 3.544 50 0 CHAARN CCOc1ccccc1NC(=O)Nc1ccccc1F ZINC000002889974 567850257 /nfs/dbraw/zinc/85/02/57/567850257.db2.gz IORNWRVCPLDQOP-UHFFFAOYSA-N 0 0 274.295 3.868 50 0 CHAARN O=C(CCc1ccccc1)NC1CCCCCCC1 ZINC000002957671 567850677 /nfs/dbraw/zinc/85/06/77/567850677.db2.gz SHRUTOGNSHZQMW-UHFFFAOYSA-N 0 0 259.393 3.848 50 0 CHAARN CCc1cccc(C)c1NC(=O)c1ccccc1F ZINC000002902973 567850693 /nfs/dbraw/zinc/85/06/93/567850693.db2.gz WWOQHJYPHLHONS-UHFFFAOYSA-N 0 0 257.308 3.949 50 0 CHAARN CCCCSc1nnc(NC(=O)c2ccccc2)s1 ZINC000002998852 567850823 /nfs/dbraw/zinc/85/08/23/567850823.db2.gz WULRARBWSBHVGQ-UHFFFAOYSA-N 0 0 293.417 3.683 50 0 CHAARN CCOc1ccccc1OCCOc1ccccc1 ZINC000002985464 567850884 /nfs/dbraw/zinc/85/08/84/567850884.db2.gz YKFKKFXYEOZPEM-UHFFFAOYSA-N 0 0 258.317 3.543 50 0 CHAARN O=C(NCCSc1ccccc1)c1ccccc1Cl ZINC000002985779 567851007 /nfs/dbraw/zinc/85/10/07/567851007.db2.gz NNWNQVMEKRJJMU-UHFFFAOYSA-N 0 0 291.803 3.862 50 0 CHAARN O=C(CCC(=O)c1cccs1)c1cccs1 ZINC000003127015 567851624 /nfs/dbraw/zinc/85/16/24/567851624.db2.gz QJGKCQWQNOPAMG-UHFFFAOYSA-N 0 0 250.344 3.655 50 0 CHAARN Cc1cccc(OCCOC(=O)/C=C/c2ccccc2)c1 ZINC000003130532 567851648 /nfs/dbraw/zinc/85/16/48/567851648.db2.gz OTAHCEAUKQPXDF-ZHACJKMWSA-N 0 0 282.339 3.630 50 0 CHAARN CCOc1ccc(NC(=O)c2c(F)cccc2F)cc1 ZINC000003345981 567852541 /nfs/dbraw/zinc/85/25/41/567852541.db2.gz WAJGBWHDSPCRCU-UHFFFAOYSA-N 0 0 277.270 3.616 50 0 CHAARN Cc1ccccc1NC(=O)C(C)(C)c1ccccc1 ZINC000003316170 567852559 /nfs/dbraw/zinc/85/25/59/567852559.db2.gz LLUGNXWUOBIXOJ-UHFFFAOYSA-N 0 0 253.345 3.911 50 0 CHAARN COc1ccc(CC(=O)Nc2cc(C)ccc2C)cc1OC ZINC000003478983 567852740 /nfs/dbraw/zinc/85/27/40/567852740.db2.gz OJWWVQOUNQOCKH-UHFFFAOYSA-N 0 0 299.370 3.502 50 0 CHAARN CC(=O)Nc1cccc(NC(=O)c2cc(C)cc(C)c2)c1 ZINC000003553802 567853177 /nfs/dbraw/zinc/85/31/77/567853177.db2.gz FKDBQWQSVIKLIL-UHFFFAOYSA-N 0 0 282.343 3.514 50 0 CHAARN Cc1ccc(F)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000003566380 567853275 /nfs/dbraw/zinc/85/32/75/567853275.db2.gz UWAKPWRVYRHQNW-UHFFFAOYSA-N 0 0 277.726 3.969 50 0 CHAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000003814412 567853616 /nfs/dbraw/zinc/85/36/16/567853616.db2.gz CBMYJHIOYJEBSB-YSZCXEEOSA-N 0 0 292.463 3.751 50 0 endogenous,in-man CHAARN Nc1nc(-c2ccc(Cc3ccccc3)cc2)cs1 ZINC000003722646 567853670 /nfs/dbraw/zinc/85/36/70/567853670.db2.gz XYDVHKCVOMGRSY-UHFFFAOYSA-N 0 0 266.369 3.983 50 0 in-vitro CHAARN COc1ccc(C)cc1-c1[nH]c2ccccc2c1C=O ZINC000003675813 567853750 /nfs/dbraw/zinc/85/37/50/567853750.db2.gz XFKGQINCPUDDBC-UHFFFAOYSA-N 0 0 265.312 3.964 50 0 CHAARN CCCCNC(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000003908258 567854663 /nfs/dbraw/zinc/85/46/63/567854663.db2.gz CYSJSUBKIASQQR-UHFFFAOYSA-N 0 0 278.739 3.525 50 0 CHAARN COc1ccc(NC(=O)Nc2ccccc2C)c(OC)c1 ZINC000003958917 567854685 /nfs/dbraw/zinc/85/46/85/567854685.db2.gz FCTZKEAUEYXBAW-UHFFFAOYSA-N 0 0 286.331 3.656 50 0 CHAARN COc1ccc(C(=O)n2cc(C(C)=O)c3ccccc32)cc1 ZINC000004089562 567855121 /nfs/dbraw/zinc/85/51/21/567855121.db2.gz APRIISRIZGSNGH-UHFFFAOYSA-N 0 0 293.322 3.541 50 0 CHAARN COC(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000004056187 567855155 /nfs/dbraw/zinc/85/51/55/567855155.db2.gz HCUPJRVSHYYZAE-UHFFFAOYSA-N 0 0 296.278 3.605 50 0 biogenic CHAARN CC1(C)CC2=C([C@@H]1CO)[C@]1(CO)CC(C)(C)C[C@](C)(C2)C1 ZINC000004127734 567855274 /nfs/dbraw/zinc/85/52/74/567855274.db2.gz HFSMBLYAAAYWSS-ZOCIIQOWSA-N 0 0 292.463 3.920 50 0 CHAARN CC1(C)C[C@@H](O)C[C@]2(C1)C[C@]1(C)C[C@H](O)[C@H]2C(C)(C)C1 ZINC000004127736 567855397 /nfs/dbraw/zinc/85/53/97/567855397.db2.gz 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260.362 3.563 50 0 CHAARN CC(=O)Nc1cccc(NC(=O)/C(C)=C/c2ccccc2)c1 ZINC000004677231 567858793 /nfs/dbraw/zinc/85/87/93/567858793.db2.gz JLSTYLHMIRAAJI-ACCUITESSA-N 0 0 294.354 3.687 50 0 CHAARN CC[C@H](C(=O)Nc1ccccc1F)c1ccccc1 ZINC000004666147 567858976 /nfs/dbraw/zinc/85/89/76/567858976.db2.gz FJWQHGODSDPQQT-ZDUSSCGKSA-N 0 0 257.308 3.958 50 0 CHAARN Cc1csc(NC(=O)[C@H](C)Nc2ccc(C)c(C)c2)n1 ZINC000007460200 567859983 /nfs/dbraw/zinc/85/99/83/567859983.db2.gz NWVRGFDNKFSBCC-LBPRGKRZSA-N 0 0 289.404 3.507 50 0 CHAARN CCCC[C@H](CC)C(=O)NCCCc1ccccc1 ZINC000002736545 567860100 /nfs/dbraw/zinc/86/01/00/567860100.db2.gz RTFCQTFIUFKFPT-INIZCTEOSA-N 0 0 261.409 3.952 50 0 CHAARN Cc1ccc([C@@H](C)NCc2csc([C@H]3CCCO3)n2)o1 ZINC000097374073 567860173 /nfs/dbraw/zinc/86/01/73/567860173.db2.gz GIXBMROYNNZPTR-BXUZGUMPSA-N 0 0 292.404 3.747 50 0 CHAARN CCC(=O)Nc1nc2c(s1)c(Cl)ccc2Cl ZINC000002713939 567860177 /nfs/dbraw/zinc/86/01/77/567860177.db2.gz FZPPEQUCWWZHRP-UHFFFAOYSA-N 0 0 275.160 3.952 50 0 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O=C(NCCc1ccccc1)Nc1cccc(Cl)c1 ZINC000000293179 570382852 /nfs/dbraw/zinc/38/28/52/570382852.db2.gz NBSJGBXKNIJALD-UHFFFAOYSA-N 0 0 274.751 3.704 50 0 CHAARN CC(C)CN1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000253395024 570384644 /nfs/dbraw/zinc/38/46/44/570384644.db2.gz WIEGYDUGJFLRAL-UHFFFAOYSA-N 0 0 287.388 3.514 50 0 CHAARN CC(C)N(C(=O)c1ccoc1)[C@@H]1CCCc2cccnc21 ZINC000253396523 570384909 /nfs/dbraw/zinc/38/49/09/570384909.db2.gz AMDOAHPXIZFEAE-OAHLLOKOSA-N 0 0 284.359 3.603 50 0 CHAARN Cc1ccc2[nH]c(CCc3nc4cc(C)ccc4[nH]3)nc2c1 ZINC000012481484 570395146 /nfs/dbraw/zinc/39/51/46/570395146.db2.gz FWZBLSXNXIYENA-UHFFFAOYSA-N 0 0 290.370 3.841 50 0 CHAARN CCCc1nc2ccccc2n1C[C@H](O)c1ccccc1 ZINC000012525332 570395163 /nfs/dbraw/zinc/39/51/63/570395163.db2.gz KTGZWALDWWHUDM-KRWDZBQOSA-N 0 0 280.371 3.722 50 0 CHAARN CCc1ccc(NC(=O)c2[nH]nc(C3CC3)c2Cl)cc1 ZINC000079074409 570396426 /nfs/dbraw/zinc/39/64/26/570396426.db2.gz GJXONWBBBHWWHH-UHFFFAOYSA-N 0 0 289.766 3.755 50 0 CHAARN Cc1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1C ZINC000002616534 570396815 /nfs/dbraw/zinc/39/68/15/570396815.db2.gz CUAOFAMUFRUOTR-UHFFFAOYSA-N 0 0 278.355 3.966 50 0 biogenic CHAARN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C1CCCC1 ZINC000028574535 570397282 /nfs/dbraw/zinc/39/72/82/570397282.db2.gz BQYRFNHFUVIGJU-UHFFFAOYSA-N 0 0 297.402 3.677 50 0 CHAARN COc1ccc2oc(C(=O)NCCC(C)C)c(C)c2c1 ZINC000003441210 570399397 /nfs/dbraw/zinc/39/93/97/570399397.db2.gz FYTJXQIQFWPZMS-UHFFFAOYSA-N 0 0 275.348 3.526 50 0 CHAARN CCc1cccc(CC)c1NC(=O)COc1ccccc1 ZINC000003443154 570399450 /nfs/dbraw/zinc/39/94/50/570399450.db2.gz USVBNPCFBQLHLT-UHFFFAOYSA-N 0 0 283.371 3.829 50 0 CHAARN CC(=O)c1ccc(NC(=O)COc2cccc(C)c2C)cc1 ZINC000003455424 570399721 /nfs/dbraw/zinc/39/97/21/570399721.db2.gz LPVGATXTBAOPFJ-UHFFFAOYSA-N 0 0 297.354 3.524 50 0 CHAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)s2)[C@H]1C ZINC000245228141 570401669 /nfs/dbraw/zinc/40/16/69/570401669.db2.gz GNAQFHZACMKTJG-UTLUCORTSA-N 0 0 271.813 3.956 50 0 CHAARN CC(C)C(=O)N(Cc1ccccc1)[C@H](C)c1ccccn1 ZINC000069777068 570402595 /nfs/dbraw/zinc/40/25/95/570402595.db2.gz XQQIRKPJRJDDIR-OAHLLOKOSA-N 0 0 282.387 3.827 50 0 CHAARN O=C(Nc1ccc2[nH]ccc2c1)c1c[nH]c2ccccc12 ZINC000040809830 570402604 /nfs/dbraw/zinc/40/26/04/570402604.db2.gz CBPSWDLZZNFVNM-UHFFFAOYSA-N 0 0 275.311 3.902 50 0 biogenic CHAARN C[C@@H]1CN(C(=O)C[C@H]2C=CCC2)[C@H]1c1ccccc1 ZINC000173958563 570403570 /nfs/dbraw/zinc/40/35/70/570403570.db2.gz WHQRAZCVVAKPGF-JKIFEVAISA-N 0 0 255.361 3.562 50 0 CHAARN Cc1ccc([C@@H](C)Nc2nccc(C(F)(F)F)n2)o1 ZINC000070250171 570403537 /nfs/dbraw/zinc/40/35/37/570403537.db2.gz BYYBJZDASGOJRZ-MRVPVSSYSA-N 0 0 271.242 3.570 50 0 CHAARN C[C@@H](Cc1cccs1)Nc1ncnc2sccc21 ZINC000070140885 570403624 /nfs/dbraw/zinc/40/36/24/570403624.db2.gz CXFFKXDQDOQNSE-VIFPVBQESA-N 0 0 275.402 3.796 50 0 CHAARN CC[C@H]1c2ccsc2CCN1C(=O)CC(C)C ZINC000032781326 570409749 /nfs/dbraw/zinc/40/97/49/570409749.db2.gz GBYZJXYGVKCKOS-LBPRGKRZSA-N 0 0 251.395 3.630 50 0 CHAARN COc1ccc([C@H]2CCCCCN2C(=O)C2CC2)cc1 ZINC000032823496 570409824 /nfs/dbraw/zinc/40/98/24/570409824.db2.gz YKSWEVNEOWMFIX-MRXNPFEDSA-N 0 0 273.376 3.549 50 0 CHAARN COc1cccc([C@@H]2CCCN2C(=O)C2CCCC2)c1 ZINC000032889859 570410105 /nfs/dbraw/zinc/41/01/05/570410105.db2.gz ZXBJAIYWHAZUKF-INIZCTEOSA-N 0 0 273.376 3.549 50 0 CHAARN CSCCCC(=O)c1ccc(Br)cc1 ZINC000037995861 570411651 /nfs/dbraw/zinc/41/16/51/570411651.db2.gz ZPWHRDVDFVVLSO-UHFFFAOYSA-N 0 0 273.195 3.775 50 0 CHAARN CC(=O)c1cccc(Oc2nc3ccccc3o2)c1 ZINC000048272919 570412475 /nfs/dbraw/zinc/41/24/75/570412475.db2.gz DTCWOWDTYOOUAU-UHFFFAOYSA-N 0 0 253.257 3.823 50 0 CHAARN CC(C)c1noc([C@@H](C)NCc2cccc3cc[nH]c32)n1 ZINC000952966905 614341519 /nfs/dbraw/zinc/34/15/19/614341519.db2.gz KTNZLUHCWRNEPW-LLVKDONJSA-N 0 0 284.363 3.525 50 0 CHAARN CN(Cc1ccc(Cl)o1)Cc1nc2cc(F)ccc2[nH]1 ZINC000952988473 616103115 /nfs/dbraw/zinc/10/31/15/616103115.db2.gz PYDKVDUZMOGSMF-UHFFFAOYSA-N 0 0 293.729 3.580 50 0 CHAARN Cc1n[nH]c(C)c1CCCOc1ccccc1Cl ZINC000002494152 1118572907 /nfs/dbraw/zinc/57/29/07/1118572907.db2.gz UWFOWUWGOVNWPB-UHFFFAOYSA-N 0 0 264.756 3.692 50 0 CHAARN CC(C)C(=O)N1CCC[C@@]1(c1ccccc1)C(F)(F)F ZINC000162211285 1120936661 /nfs/dbraw/zinc/93/66/61/1120936661.db2.gz VWAHNAOVAGVRDX-CQSZACIVSA-N 0 0 285.309 3.723 50 0 CHAARN Cc1ccc(C(=O)Nc2cccc(O)c2)cc1Cl ZINC000063022131 1121429259 /nfs/dbraw/zinc/42/92/59/1121429259.db2.gz XZJUXXJJKDCXMG-UHFFFAOYSA-N 0 0 261.708 3.606 50 0 CHAARN CSc1ncccc1C(=O)Nc1c(C)cc(C)cc1C ZINC000014426554 1125519657 /nfs/dbraw/zinc/51/96/57/1125519657.db2.gz NNACQLJZNNJOJD-UHFFFAOYSA-N 0 0 286.400 3.981 50 0 CHAARN O=C(Nc1ccccc1O)c1cc2c(s1)CCCCC2 ZINC000016483052 1125567340 /nfs/dbraw/zinc/56/73/40/1125567340.db2.gz GXJBQRSLOXGQKU-UHFFFAOYSA-N 0 0 287.384 3.975 50 0 CHAARN C[C@@H](CNC(=O)NC[C@@H](C)c1ccccc1)c1ccccc1 ZINC000025053658 1125587199 /nfs/dbraw/zinc/58/71/99/1125587199.db2.gz DGBPBGMPCPPOAD-IYBDPMFKSA-N 0 0 296.414 3.893 50 0 CHAARN COc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1C(C)C ZINC000054683529 1125655391 /nfs/dbraw/zinc/65/53/91/1125655391.db2.gz HCAGMOAQCZNCQN-QGZVFWFLSA-N 0 0 296.370 3.670 50 0 CHAARN COc1cccc([C@H]2Nc3ccccc3C(=O)N2C(C)C)c1 ZINC000054683459 1125655566 /nfs/dbraw/zinc/65/55/66/1125655566.db2.gz ODQNUMQYSPBICX-KRWDZBQOSA-N 0 0 296.370 3.670 50 0 CHAARN COc1ccccc1[C@H]1Nc2ccccc2C(=O)N1C(C)C ZINC000054683533 1125655606 /nfs/dbraw/zinc/65/56/06/1125655606.db2.gz HCAGMOAQCZNCQN-KRWDZBQOSA-N 0 0 296.370 3.670 50 0 CHAARN CSCCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000030993254 1125748831 /nfs/dbraw/zinc/74/88/31/1125748831.db2.gz JBMQTJFZODEZFD-UHFFFAOYSA-N 0 0 283.396 3.949 50 0 CHAARN C/C=C/C=C\C(=O)Nc1ccccc1Br ZINC000033733663 1126721042 /nfs/dbraw/zinc/72/10/42/1126721042.db2.gz LTYNBZWROKSWQM-OQIXSKIXSA-N 0 0 266.138 3.520 50 0 CHAARN O=C(NCc1cccnc1-c1ccccc1)c1ccsc1 ZINC000065171401 1126735747 /nfs/dbraw/zinc/73/57/47/1126735747.db2.gz CIUITAIVXWKYPV-UHFFFAOYSA-N 0 0 294.379 3.740 50 0 CHAARN O=C1CC[C@H](c2c[nH]c3ccc(Br)cc32)C1 ZINC000145658318 1126742971 /nfs/dbraw/zinc/74/29/71/1126742971.db2.gz OGXFMBGFSFOQGH-QMMMGPOBSA-N 0 0 278.149 3.767 50 0 CHAARN CCCC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000036625146 1126791840 /nfs/dbraw/zinc/79/18/40/1126791840.db2.gz AGHRXECWULIGPF-NSHDSACASA-N 0 0 269.797 3.793 50 0 CHAARN COc1cc(C)ccc1OC(=O)/C=C1/CC[C@@H](C)C1 ZINC000084146194 1126804128 /nfs/dbraw/zinc/80/41/28/1126804128.db2.gz JNOBTMXQURXVIM-COVOJHCQSA-N 0 0 260.333 3.655 50 0 CHAARN CC(=O)Nc1ccc(Oc2ccc(C(C)=O)cc2)cc1 ZINC000197089645 1126980001 /nfs/dbraw/zinc/98/00/01/1126980001.db2.gz VFBWDWVAAGJFCV-UHFFFAOYSA-N 0 0 269.300 3.640 50 0 CHAARN COc1cc(NC(=O)C[C@@H](C)c2ccccc2)ccc1O ZINC000438129289 1127080716 /nfs/dbraw/zinc/08/07/16/1127080716.db2.gz RCNHOCPBBVPNOI-GFCCVEGCSA-N 0 0 285.343 3.533 50 0 CHAARN CC(C)N=c1ccccn1C(=O)c1ccc(C(C)C)cc1 ZINC000254826788 1127160004 /nfs/dbraw/zinc/16/00/04/1127160004.db2.gz MGALMYJYFHRWCK-UHFFFAOYSA-N 0 0 282.387 3.609 50 0 CHAARN O=C(c1ccncc1)N(CC1CCCCC1)c1ccccn1 ZINC000157598826 1127330323 /nfs/dbraw/zinc/33/03/23/1127330323.db2.gz NXZLTVXKCXZANV-UHFFFAOYSA-N 0 0 295.386 3.704 50 0 CHAARN CO[C@H](C)c1cccc(NC(=O)c2ccc[nH]c2=S)c1 ZINC000171130539 1127688507 /nfs/dbraw/zinc/68/85/07/1127688507.db2.gz IGJJALQTDAOMRX-SNVBAGLBSA-N 0 0 288.372 3.704 50 0 CHAARN COc1ccc2sc(C(=O)N3CCC[C@H]3C)c(C)c2c1 ZINC000173128235 1127804658 /nfs/dbraw/zinc/80/46/58/1127804658.db2.gz QPUVZBZOZGBPGC-SNVBAGLBSA-N 0 0 289.400 3.843 50 0 CHAARN Cc1ccc2oc(C(=O)N(C)OCc3ccccc3)cc2c1 ZINC000089657565 1127904116 /nfs/dbraw/zinc/90/41/16/1127904116.db2.gz IDDOPLAMZZMCKD-UHFFFAOYSA-N 0 0 295.338 3.945 50 0 CHAARN O=C(/C=C/c1ccc(F)cc1)N1CCC[C@H]1c1cccnc1 ZINC000012737357 1127918189 /nfs/dbraw/zinc/91/81/89/1127918189.db2.gz SDPPUWGQCHNFSA-JEJOPICUSA-N 0 0 296.345 3.598 50 0 CHAARN CCCCSc1n[nH]c(C=Cc2cccs2)n1 ZINC000012758540 1127922199 /nfs/dbraw/zinc/92/21/99/1127922199.db2.gz HIMSRIISRGNVFT-VOTSOKGWSA-N 0 0 265.407 3.929 50 0 CHAARN Cc1nc2c(cccc2NCc2cn(C(C)C)nc2C)o1 ZINC000870999474 1128078455 /nfs/dbraw/zinc/07/84/55/1128078455.db2.gz NGTNVXWBEDZHCN-UHFFFAOYSA-N 0 0 284.363 3.834 50 0 CHAARN COc1ccc(N(C)C(=O)c2cccc3[nH]ccc32)cc1F ZINC000089364971 1128117615 /nfs/dbraw/zinc/11/76/15/1128117615.db2.gz BLSAJMPWVAPVDF-UHFFFAOYSA-N 0 0 298.317 3.592 50 0 CHAARN Cc1cccc2c1C(=O)N[C@H](c1cnc(C3CCC3)s1)N2 ZINC000089688964 1128121102 /nfs/dbraw/zinc/12/11/02/1128121102.db2.gz NMGGGIIOSOCNQA-CQSZACIVSA-N 0 0 299.399 3.573 50 0 CHAARN OC(c1ccccc1)(c1ccccc1)C1(O)CCCCC1 ZINC000034172993 1128131106 /nfs/dbraw/zinc/13/11/06/1128131106.db2.gz DGEHFVOPIXIUDK-UHFFFAOYSA-N 0 0 282.383 3.618 50 0 CHAARN Cc1cc(C)c2c(c1)N(C(=O)Cc1ccc(O)cc1)CCC2 ZINC000152835836 1128152697 /nfs/dbraw/zinc/15/26/97/1128152697.db2.gz CTMSZEHESXPDSQ-UHFFFAOYSA-N 0 0 295.382 3.531 50 0 CHAARN O=C(/C=C\c1cccs1)Nc1ccc(F)cc1F ZINC000034736986 1128233349 /nfs/dbraw/zinc/23/33/49/1128233349.db2.gz IKKZJSZJWYISBL-XQRVVYSFSA-N 0 0 265.284 3.678 50 0 CHAARN O=c1[nH]cccc1-c1noc([C@H]2C[C@@H]2C2CCCCC2)n1 ZINC000874435245 1128559423 /nfs/dbraw/zinc/55/94/23/1128559423.db2.gz OXARPYFNCJBBGD-OLZOCXBDSA-N 0 0 285.347 3.521 50 0 CHAARN O=C(N[C@H]1CCOC2(CCCC2)C1)c1coc2ccccc12 ZINC000159324087 1128680526 /nfs/dbraw/zinc/68/05/26/1128680526.db2.gz NYDLUGVWECMUEB-ZDUSSCGKSA-N 0 0 299.370 3.654 50 0 CHAARN Cc1cccc(NCC(=O)Nc2cc(Cl)ccc2F)c1 ZINC000046169296 1117816871 /nfs/dbraw/zinc/81/68/71/1117816871.db2.gz JZJPDBHSDBHCDL-UHFFFAOYSA-N 0 0 292.741 3.838 50 0 CHAARN Cc1cn2c(CC(=O)Nc3cccc(C)c3C)csc2n1 ZINC000025050988 1118096030 /nfs/dbraw/zinc/09/60/30/1118096030.db2.gz YXIRZDPQVXXFKY-UHFFFAOYSA-N 0 0 299.399 3.502 50 0 CHAARN Clc1ccc2c(c1)CCCN2Cc1nc(C2CC2)no1 ZINC000026342255 1118109456 /nfs/dbraw/zinc/10/94/56/1118109456.db2.gz DKVHICKSRNVPDA-UHFFFAOYSA-N 0 0 289.766 3.553 50 0 CHAARN O=C(Nc1ccncc1)Oc1ccc(Cl)cc1Cl ZINC000022018780 1118172776 /nfs/dbraw/zinc/17/27/76/1118172776.db2.gz WCXRYYIXJDNZDT-UHFFFAOYSA-N 0 0 283.114 3.999 50 0 CHAARN Cc1cc(C(=O)N2CC[C@@H](c3ccsc3)C2)c(C)o1 ZINC000670785057 1128766625 /nfs/dbraw/zinc/76/66/25/1128766625.db2.gz WLHZFERPVUUKMG-GFCCVEGCSA-N 0 0 275.373 3.588 50 0 CHAARN C[C@@H](O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000036750060 1118370171 /nfs/dbraw/zinc/37/01/71/1118370171.db2.gz SXOVPKUQHMBXGW-SECBINFHSA-N 0 0 250.244 3.810 50 0 CHAARN Cc1ccc(NC(=O)OC(C)(C)C)cc1N[C@H]1CCOC1 ZINC000307660444 1118384620 /nfs/dbraw/zinc/38/46/20/1118384620.db2.gz UKTHJOFAZOCSJY-ZDUSSCGKSA-N 0 0 292.379 3.543 50 0 CHAARN FC(F)(F)COc1ccccc1NCC[C@@H]1CCCO1 ZINC000189590303 1128777549 /nfs/dbraw/zinc/77/75/49/1128777549.db2.gz OCZOUFXPKICWJM-NSHDSACASA-N 0 0 289.297 3.609 50 0 CHAARN C(=C/c1ccncn1)\c1cccc(/C=C\c2ccncn2)c1 ZINC000255216382 1118481487 /nfs/dbraw/zinc/48/14/87/1118481487.db2.gz VNAGXVMFQKGNBN-XGXWUAJZSA-N 0 0 286.338 3.607 50 0 CHAARN CC(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C=C3C ZINC000334160658 1118544995 /nfs/dbraw/zinc/54/49/95/1118544995.db2.gz JMPHVEXCKQHMMN-UHFFFAOYSA-N 0 0 297.354 3.627 50 0 CHAARN CCS[C@H]1CCC[C@H]1NC(=O)c1cc(C)sc1C ZINC000079000870 1118619773 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Cc1cc(N)ccc1NC(=O)c1cccc(OC(C)C)c1 ZINC000019736777 170850473 /nfs/dbraw/zinc/85/04/73/170850473.db2.gz DMUBARUJIOYTQW-UHFFFAOYSA-N 0 0 284.359 3.617 50 0 CHAARN Cc1ccc(NC(=O)c2ccc(O)cc2)c(Cl)c1 ZINC000020363018 171161655 /nfs/dbraw/zinc/16/16/55/171161655.db2.gz OZCKMUSJRXYFBT-UHFFFAOYSA-N 0 0 261.708 3.606 50 0 CHAARN COc1ccc(-c2cccc(-c3ccn(C)n3)c2)cc1OC ZINC000020451034 171207666 /nfs/dbraw/zinc/20/76/66/171207666.db2.gz ZNMUNDVVANVERS-UHFFFAOYSA-N 0 0 294.354 3.771 50 0 CHAARN CCN(Cc1ccccc1)c1ccc(N)cc1Cl ZINC000020486180 171225257 /nfs/dbraw/zinc/22/52/57/171225257.db2.gz JFILDNHUTPQFRL-UHFFFAOYSA-N 0 0 260.768 3.949 50 0 CHAARN O=C(Nc1ccccn1)Nc1ccc(Cl)cc1F ZINC000020534447 171240733 /nfs/dbraw/zinc/24/07/33/171240733.db2.gz OIDVMUWKZRMKER-UHFFFAOYSA-N 0 0 265.675 3.518 50 0 CHAARN C[C@H](c1nccs1)N(C)CCc1cc(F)ccc1F ZINC000020537228 171241063 /nfs/dbraw/zinc/24/10/63/171241063.db2.gz RVHYVZBLVOCRJA-SNVBAGLBSA-N 0 0 282.359 3.657 50 0 CHAARN CC(C)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 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CC(C)c1nccn1CCc1c[nH]c2ccccc12 ZINC000067852167 175797254 /nfs/dbraw/zinc/79/72/54/175797254.db2.gz PDOZZPHTWPHADN-UHFFFAOYSA-N 0 0 253.349 3.731 50 0 CHAARN Cc1csc(-c2ccc(C(=O)Nc3ccncc3)cc2)n1 ZINC000069453282 175830748 /nfs/dbraw/zinc/83/07/48/175830748.db2.gz PSYQWIAUBSNRRX-UHFFFAOYSA-N 0 0 295.367 3.766 50 0 CHAARN CCN(CC)C(=O)c1ccc(-c2ccsc2)nc1C ZINC000069531625 175837646 /nfs/dbraw/zinc/83/76/46/175837646.db2.gz WKSZDRNSQPOINQ-UHFFFAOYSA-N 0 0 274.389 3.601 50 0 CHAARN CCn1ccnc1S[C@H](C)C(=O)c1cc(F)ccc1F ZINC000069538925 175838611 /nfs/dbraw/zinc/83/86/11/175838611.db2.gz OBMFNACGZLJJFY-SECBINFHSA-N 0 0 296.342 3.545 50 0 CHAARN Cc1cc(C(=O)N(C(C)C)C2CCCC2)nn1C(C)(C)C ZINC000069652921 175844403 /nfs/dbraw/zinc/84/44/03/175844403.db2.gz RRJJJKXUDYCGQY-UHFFFAOYSA-N 0 0 291.439 3.740 50 0 CHAARN C[C@H](C1CC1)N(C)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000069871562 175858943 /nfs/dbraw/zinc/85/89/43/175858943.db2.gz UEHYBLBLTBWAPM-RISCZKNCSA-N 0 0 299.336 3.980 50 0 CHAARN CCC[C@@H]1CCCN(C(=O)c2cccc3cn[nH]c32)CC1 ZINC000071185228 176059867 /nfs/dbraw/zinc/05/98/67/176059867.db2.gz PRAJFEZHDADJQP-CYBMUJFWSA-N 0 0 285.391 3.605 50 0 CHAARN Cc1ccsc1[C@H]1CC(=O)Nc2c1cnn2C(C)C ZINC000071283333 176109475 /nfs/dbraw/zinc/10/94/75/176109475.db2.gz HKIGSWUFLAMKDL-JTQLQIEISA-N 0 0 275.377 3.958 50 0 CHAARN CC(C)Oc1ccccc1C(=O)Nc1cccc(F)c1 ZINC000071385370 176147236 /nfs/dbraw/zinc/14/72/36/176147236.db2.gz HQLJTPUDHLGSHR-UHFFFAOYSA-N 0 0 273.307 3.865 50 0 CHAARN CC[C@@H](C)NC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000071639138 176238564 /nfs/dbraw/zinc/23/85/64/176238564.db2.gz RDHDGHYSIISHRN-GFCCVEGCSA-N 0 0 299.418 3.644 50 0 CHAARN CC(C)c1nnc2sc(C[C@@H]3CCc4ccccc43)nn21 ZINC000071759429 176261494 /nfs/dbraw/zinc/26/14/94/176261494.db2.gz IRAIVIPJVBNMKL-LBPRGKRZSA-N 0 0 298.415 3.582 50 0 CHAARN Cc1c2ccccc2nc(-c2ccccc2)c1CCO ZINC000071771474 176262338 /nfs/dbraw/zinc/26/23/38/176262338.db2.gz OJQVIGJWZWSBHZ-UHFFFAOYSA-N 0 0 263.340 3.745 50 0 CHAARN CCCCCC(=O)NCCCN(CC)c1ccccc1 ZINC000071794554 176263883 /nfs/dbraw/zinc/26/38/83/176263883.db2.gz CRWSQUAAPAAACH-UHFFFAOYSA-N 0 0 276.424 3.600 50 0 CHAARN CCOc1ccc(C(=O)CSc2nc(C)c(C)o2)cc1 ZINC000071805668 176266920 /nfs/dbraw/zinc/26/69/20/176266920.db2.gz BAEOBSSPLAMFSZ-UHFFFAOYSA-N 0 0 291.372 3.665 50 0 CHAARN Cc1cccc(CS[C@H](C)C(=O)NC2CCCC2)c1 ZINC000071818611 176270131 /nfs/dbraw/zinc/27/01/31/176270131.db2.gz FTKYQSJOLDUYIA-CYBMUJFWSA-N 0 0 277.433 3.676 50 0 CHAARN c1ccc2c(c1)CC[C@H]2N(Cc1nc(C2CC2)no1)C1CC1 ZINC000071826824 176272026 /nfs/dbraw/zinc/27/20/26/176272026.db2.gz AOWJRBPQMGVSCY-MRXNPFEDSA-N 0 0 295.386 3.599 50 0 CHAARN CC1CCC(N(C)c2ncnc3ccsc32)CC1 ZINC000071873522 176284336 /nfs/dbraw/zinc/28/43/36/176284336.db2.gz FNZPVAZPLPSDCH-UHFFFAOYSA-N 0 0 261.394 3.706 50 0 CHAARN Clc1ccccc1-c1nnc(SC[C@H]2CCOC2)o1 ZINC000071886812 176290351 /nfs/dbraw/zinc/29/03/51/176290351.db2.gz FUMWVNDCWJQXGP-VIFPVBQESA-N 0 0 296.779 3.519 50 0 CHAARN Cc1cccnc1[C@@H](NC(=O)c1ccccc1F)C(C)C ZINC000071908533 176296758 /nfs/dbraw/zinc/29/67/58/176296758.db2.gz CAZJKYXTLRMXLO-HNNXBMFYSA-N 0 0 286.350 3.656 50 0 CHAARN O=C(C[C@H]1CCCO1)Nc1cccc(NC2CCCC2)c1 ZINC000071910821 176297469 /nfs/dbraw/zinc/29/74/69/176297469.db2.gz IVOQDTLTFUPNLT-MRXNPFEDSA-N 0 0 288.391 3.549 50 0 CHAARN Cc1cccc(Nc2nc(-c3ccccc3)no2)c1 ZINC000071928156 176301974 /nfs/dbraw/zinc/30/19/74/176301974.db2.gz WQKZUOGUQISSLN-UHFFFAOYSA-N 0 0 251.289 3.789 50 0 CHAARN c1coc(CNc2nnc(SC3CCCC3)s2)c1 ZINC000072066563 176311990 /nfs/dbraw/zinc/31/19/90/176311990.db2.gz WGQCRSBIVOFNOI-UHFFFAOYSA-N 0 0 281.406 3.778 50 0 CHAARN COc1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1 ZINC000072115873 176318651 /nfs/dbraw/zinc/31/86/51/176318651.db2.gz NBOKERHSZHWBPL-UHFFFAOYSA-N 0 0 293.725 3.669 50 0 CHAARN Cc1ccc([C@@H]2CC(=O)Nc3c2cnn3C(C)(C)C)cc1C ZINC000072117513 176319055 /nfs/dbraw/zinc/31/90/55/176319055.db2.gz YKEGDYBYCJUHGP-AWEZNQCLSA-N 0 0 297.402 3.729 50 0 CHAARN 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CC(C)C(=O)Nc1ccc(Oc2cccc3[nH]ccc32)nc1 ZINC000072401493 176397014 /nfs/dbraw/zinc/39/70/14/176397014.db2.gz ZYWGRRYIDXYBFI-UHFFFAOYSA-N 0 0 295.342 3.950 50 0 CHAARN NC(=[NH+][N-]c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000073667316 176484988 /nfs/dbraw/zinc/48/49/88/176484988.db2.gz PJQHJCSFIODYLQ-UHFFFAOYSA-N 0 0 280.158 3.935 50 0 CHAARN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC2)cc1 ZINC000076938602 177133804 /nfs/dbraw/zinc/13/38/04/177133804.db2.gz WQZSOVMETKYZIF-HOTGVXAUSA-N 0 0 257.377 3.536 50 0 CHAARN CC(C)C[C@@H]1c2[nH]c3ccc(Cl)cc3c2CCNC1=O ZINC000077024454 177153535 /nfs/dbraw/zinc/15/35/35/177153535.db2.gz SPTWXIHUPUVJAE-CYBMUJFWSA-N 0 0 290.794 3.623 50 0 CHAARN CCCc1cc(C(=O)N(CCC)Cc2ccsc2)no1 ZINC000077354492 177256095 /nfs/dbraw/zinc/25/60/95/177256095.db2.gz HYWJDBRNAUBPBV-UHFFFAOYSA-N 0 0 292.404 3.741 50 0 CHAARN O=C(c1ccoc1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077564497 177281048 /nfs/dbraw/zinc/28/10/48/177281048.db2.gz KQCHXUMBIBAHQW-HNNXBMFYSA-N 0 0 273.307 3.786 50 0 CHAARN CCC(CC)c1cc(CNc2cncc(Cl)n2)on1 ZINC000078400416 177337557 /nfs/dbraw/zinc/33/75/57/177337557.db2.gz WGDUOUJINPKYCK-UHFFFAOYSA-N 0 0 280.759 3.634 50 0 CHAARN CC(=O)c1ccccc1NCc1cnn(-c2ccccc2)c1 ZINC000078432553 177341222 /nfs/dbraw/zinc/34/12/22/177341222.db2.gz MIEWTGKKALBZFP-UHFFFAOYSA-N 0 0 291.354 3.687 50 0 CHAARN C[C@@H](c1ccccc1F)[S@@](=O)Cc1cccc(F)c1 ZINC000078556124 177353879 /nfs/dbraw/zinc/35/38/79/177353879.db2.gz VANOBFVQWXGNFJ-JEOXALJRSA-N 0 0 280.339 3.975 50 0 CHAARN C[C@@H](c1ccccc1F)[S@](=O)Cc1cccc(F)c1 ZINC000078556126 177354020 /nfs/dbraw/zinc/35/40/20/177354020.db2.gz VANOBFVQWXGNFJ-WLRWDXFRSA-N 0 0 280.339 3.975 50 0 CHAARN Cc1nnc(SCc2csc(-c3ccoc3)n2)s1 ZINC000078566231 177354645 /nfs/dbraw/zinc/35/46/45/177354645.db2.gz IAYMAWXRTUXMRE-UHFFFAOYSA-N 0 0 295.414 3.855 50 0 CHAARN CC[C@@H](C)Sc1nnc(-c2cc(OC)cc(OC)c2)o1 ZINC000078836538 177396448 /nfs/dbraw/zinc/39/64/48/177396448.db2.gz GILVHTUITCTWNS-SECBINFHSA-N 0 0 294.376 3.644 50 0 CHAARN O=C(OCc1cc2c(cccc2Cl)[nH]1)c1cscn1 ZINC000079064977 177425585 /nfs/dbraw/zinc/42/55/85/177425585.db2.gz OYLKNHCOWCVMCR-UHFFFAOYSA-N 0 0 292.747 3.635 50 0 CHAARN CO[C@@H](c1nc(C2CCC(C)(C)CC2)no1)C1CC1 ZINC000347482926 226180783 /nfs/dbraw/zinc/18/07/83/226180783.db2.gz MDPWAQWJMDTFDT-GFCCVEGCSA-N 0 0 264.369 3.851 50 0 CHAARN NC(=O)COc1c(Cl)ccc(Cl)c1Br ZINC000336174096 228203402 /nfs/dbraw/zinc/20/34/02/228203402.db2.gz SWQAHZQIYXEAEA-UHFFFAOYSA-N 0 0 298.951 3.670 50 0 CHAARN CC(C)C(=O)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 ZINC000000380504 260000168 /nfs/dbraw/zinc/00/01/68/260000168.db2.gz VCZYQFUFMXBZFC-UHFFFAOYSA-N 0 0 296.326 3.795 50 0 CHAARN CCCOc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000008560965 260031605 /nfs/dbraw/zinc/03/16/05/260031605.db2.gz RMHWFEUWSYCNHK-CQSZACIVSA-N 0 0 283.371 3.966 50 0 CHAARN C[C@H](Sc1ccccn1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000012643601 260062985 /nfs/dbraw/zinc/06/29/85/260062985.db2.gz PLKPYICPOFMPES-LBPRGKRZSA-N 0 0 298.411 3.690 50 0 CHAARN 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/nfs/dbraw/zinc/06/28/40/567062840.db2.gz JBDXAQWWLGXLLM-LJIZCISZSA-N 0 0 281.440 3.665 50 0 CHAARN CC(C)[C@@H]1CCCN(C(=O)CO[C@H]2CCCC[C@H]2C)CC1 ZINC000252516210 567063402 /nfs/dbraw/zinc/06/34/02/567063402.db2.gz QNQKLJSOEBOSIJ-ZACQAIPSSA-N 0 0 295.467 3.866 50 0 CHAARN COc1cc(CNc2ccc3scnc3c2)ccc1O ZINC000195003712 567068397 /nfs/dbraw/zinc/06/83/97/567068397.db2.gz XHFKCYVYMBUWJA-UHFFFAOYSA-N 0 0 286.356 3.623 50 0 CHAARN CC[C@@]1(C)Oc2ccc(NCc3ccccn3)cc2O1 ZINC000195574623 567070182 /nfs/dbraw/zinc/07/01/82/567070182.db2.gz JKCZDFYHPPEFTH-INIZCTEOSA-N 0 0 270.332 3.591 50 0 CHAARN C[S@](=O)Cc1cc(NCc2cccs2)ccc1Cl ZINC000195559038 567070218 /nfs/dbraw/zinc/07/02/18/567070218.db2.gz WZYJBGPQBOLKRA-SFHVURJKSA-N 0 0 299.848 3.892 50 0 CHAARN CCOc1ccc2nc(N3CCCCC3)sc2c1 ZINC000000216223 567074361 /nfs/dbraw/zinc/07/43/61/567074361.db2.gz OOXVYCCRFBRMTP-UHFFFAOYSA-N 0 0 262.378 3.685 50 0 CHAARN NC(=O)Nc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000147319334 567083777 /nfs/dbraw/zinc/08/37/77/567083777.db2.gz NJMSRPQLZWDARE-UHFFFAOYSA-N 0 0 262.696 3.623 50 0 CHAARN O=C(CCCC1CCOCC1)N(C1CCC1)C1CCC1 ZINC000253419647 567098044 /nfs/dbraw/zinc/09/80/44/567098044.db2.gz DQWXBFAPZDEPPU-UHFFFAOYSA-N 0 0 279.424 3.517 50 0 CHAARN Cc1ccccc1NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000012618384 567107092 /nfs/dbraw/zinc/10/70/92/567107092.db2.gz YYIIAPWOEFURCW-HNNXBMFYSA-N 0 0 269.369 3.651 50 0 CHAARN O=C(NCCSCc1ccccc1Cl)c1ccco1 ZINC000002383502 567110010 /nfs/dbraw/zinc/11/00/10/567110010.db2.gz YGKZATQJADPPCP-UHFFFAOYSA-N 0 0 295.791 3.596 50 0 CHAARN Cc1cc(C)c2c(O)c(-c3ccccc3)c(=O)[nH]c2c1 ZINC000055142570 567110133 /nfs/dbraw/zinc/11/01/33/567110133.db2.gz PPLSLNORHQCJDZ-UHFFFAOYSA-N 0 0 265.312 3.518 50 0 biogenic,in-vitro CHAARN COc1ccc(-c2ncncc2-c2ccccc2)c(O)c1 ZINC000013126701 567115653 /nfs/dbraw/zinc/11/56/53/567115653.db2.gz SNBGSXSYSDPFBZ-UHFFFAOYSA-N 0 0 278.311 3.525 50 0 CHAARN CC(C)CNC(=O)/C=C/c1cccc2ccccc12 ZINC000012864810 567116376 /nfs/dbraw/zinc/11/63/76/567116376.db2.gz MVJOPLMEHPSGRV-ZHACJKMWSA-N 0 0 253.345 3.625 50 0 CHAARN C[C@@H](CCc1ccccc1)N/C=C1/c2ccccc2NC1=O ZINC000013208159 567116404 /nfs/dbraw/zinc/11/64/04/567116404.db2.gz XKTDMXCVALETDD-ZSRMJVKVSA-N 0 0 292.382 3.591 50 0 CHAARN Clc1ccc(Cc2nnc(-c3ccccc3)o2)cc1 ZINC000013364026 567118109 /nfs/dbraw/zinc/11/81/09/567118109.db2.gz KCHVVRPBZRNMAN-UHFFFAOYSA-N 0 0 270.719 3.981 50 0 CHAARN Cc1cc([C@H](C)OC(=O)c2ccc(F)cc2Cl)no1 ZINC000328593758 567119007 /nfs/dbraw/zinc/11/90/07/567119007.db2.gz FZKCJWNORCTZEB-QMMMGPOBSA-N 0 0 283.686 3.694 50 0 CHAARN CN(Cc1cncs1)Cc1ccc(F)cc1Cl ZINC000093275965 567120776 /nfs/dbraw/zinc/12/07/76/567120776.db2.gz GCPCCTOBRWJNQL-UHFFFAOYSA-N 0 0 270.760 3.568 50 0 CHAARN CC/C=C(\C)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000096406333 567142921 /nfs/dbraw/zinc/14/29/21/567142921.db2.gz VNSKFHNBTNWUQS-CEQQRPIWSA-N 0 0 299.823 3.513 50 0 CHAARN O=C(Nc1ccc2[nH]c(C3CC3)nc2c1)c1cccc(F)c1 ZINC000079501960 567123320 /nfs/dbraw/zinc/12/33/20/567123320.db2.gz YKRGQMRZKOZQIO-UHFFFAOYSA-N 0 0 295.317 3.832 50 0 CHAARN COCCC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 ZINC000079360296 567123444 /nfs/dbraw/zinc/12/34/44/567123444.db2.gz DRNUTMWOVZZQLE-AWEZNQCLSA-N 0 0 299.370 3.802 50 0 CHAARN CCc1ccc(/C=C2\C(=O)Nc3ccc(F)cc32)cc1 ZINC000020113992 567126047 /nfs/dbraw/zinc/12/60/47/567126047.db2.gz ILHGQRINXZPBPE-DHDCSXOGSA-N 0 0 267.303 3.881 50 0 CHAARN CC(C)(C)SC[C@H]1CCCCN1C(=O)C1CCC1 ZINC000390830705 567126379 /nfs/dbraw/zinc/12/63/79/567126379.db2.gz MSVRYPIBKYPEQP-CYBMUJFWSA-N 0 0 269.454 3.699 50 0 CHAARN CC(=O)c1c(C)c2ccccc2nc1N1CCCCC1 ZINC000020405336 567128411 /nfs/dbraw/zinc/12/84/11/567128411.db2.gz DBNPQKBTWCBPEZ-UHFFFAOYSA-N 0 0 268.360 3.736 50 0 CHAARN CC(C)(C)c1cnc(SCc2nccn2C(F)F)o1 ZINC000095416479 567131221 /nfs/dbraw/zinc/13/12/21/567131221.db2.gz SBRPKSSGPRPUTI-UHFFFAOYSA-N 0 0 287.335 3.856 50 0 CHAARN CN(Cc1ccncc1)[C@H](c1ccccc1)c1ccccn1 ZINC000095431938 567133410 /nfs/dbraw/zinc/13/34/10/567133410.db2.gz AUMJLQTXCYILJD-LJQANCHMSA-N 0 0 289.382 3.698 50 0 CHAARN O=C(N[C@@H](c1nccs1)C1CC1)c1cccc2cc[nH]c21 ZINC000080495489 567134386 /nfs/dbraw/zinc/13/43/86/567134386.db2.gz FCORUFDRVZGQFU-CQSZACIVSA-N 0 0 297.383 3.506 50 0 CHAARN COc1ccc2c(c1)CCCCN2C(=O)c1ccsc1 ZINC000095451987 567134554 /nfs/dbraw/zinc/13/45/54/567134554.db2.gz VONLIZUIXWFDCN-UHFFFAOYSA-N 0 0 287.384 3.740 50 0 CHAARN CC[C@@H](C)[C@@H]1CCCCN1c1ccc(C(F)(F)F)nn1 ZINC000095985532 567136529 /nfs/dbraw/zinc/13/65/29/567136529.db2.gz WBBSHRGEYHVTAG-MNOVXSKESA-N 0 0 287.329 3.900 50 0 CHAARN Nc1ccc(OCCCOc2ccccc2)c(Cl)c1 ZINC000059973735 567136768 /nfs/dbraw/zinc/13/67/68/567136768.db2.gz BFRMTDVRSPZTDV-UHFFFAOYSA-N 0 0 277.751 3.770 50 0 CHAARN C[C@H](O)c1ccc(CCCCc2ccncc2)cc1 ZINC000096027134 567138632 /nfs/dbraw/zinc/13/86/32/567138632.db2.gz ZTSDTTPODUGPHN-AWEZNQCLSA-N 0 0 255.361 3.700 50 0 CHAARN O=C(/C=C\c1cccs1)N(Cc1ccco1)C1CC1 ZINC000096305400 567141451 /nfs/dbraw/zinc/14/14/51/567141451.db2.gz KNCBPZQNZPWKFH-FPLPWBNLSA-N 0 0 273.357 3.546 50 0 CHAARN CC(C)n1nccc1NC(=O)[C@H](C)Sc1cccs1 ZINC000096409136 567142755 /nfs/dbraw/zinc/14/27/55/567142755.db2.gz DSNOMAVXNYTEIX-JTQLQIEISA-N 0 0 295.433 3.645 50 0 CHAARN CCCOc1cc2oc(=O)cc(C)c2cc1Cl ZINC000002476023 567145509 /nfs/dbraw/zinc/14/55/09/567145509.db2.gz NLGWOMGTCXTTAP-UHFFFAOYSA-N 0 0 252.697 3.544 50 0 biogenic CHAARN Cc1nnc([C@@H](C)N(C)Cc2cc(Cl)ccc2F)s1 ZINC000225772716 567147757 /nfs/dbraw/zinc/14/77/57/567147757.db2.gz PBSBMDVSNZIRDX-MRVPVSSYSA-N 0 0 299.802 3.832 50 0 CHAARN C[C@@H](CCOc1ccc(C=O)cc1)Oc1ccc(C=O)cc1 ZINC000002750046 567152551 /nfs/dbraw/zinc/15/25/51/567152551.db2.gz ZCIHZLNMNRHHMR-AWEZNQCLSA-N 0 0 298.338 3.548 50 0 CHAARN Cc1nnc(NC(=O)Nc2cccc3ccccc32)s1 ZINC000002888911 567152592 /nfs/dbraw/zinc/15/25/92/567152592.db2.gz GRQUUIGQPYSHRK-UHFFFAOYSA-N 0 0 284.344 3.644 50 0 CHAARN CC[C@H](NC(=O)N1CCc2ccccc21)c1cccs1 ZINC000056539602 567152856 /nfs/dbraw/zinc/15/28/56/567152856.db2.gz XFNICFMTGNLXSZ-ZDUSSCGKSA-N 0 0 286.400 3.972 50 0 CHAARN Cc1cc2n(n1)[C@H](C(F)F)C[C@H](c1ccc(C)cc1)N2 ZINC000002784738 567153370 /nfs/dbraw/zinc/15/33/70/567153370.db2.gz WDDIQTCHKILZSD-OLZOCXBDSA-N 0 0 277.318 3.863 50 0 CHAARN CCn1nc(C)c2nc(C)nc(N[C@@H](C)c3ccccc3)c21 ZINC000057355266 567154740 /nfs/dbraw/zinc/15/47/40/567154740.db2.gz DJNDPXLJMAGTCP-NSHDSACASA-N 0 0 295.390 3.636 50 0 CHAARN Cc1ccc2sc(/C=C/c3cnn(C)c3)nc2c1 ZINC000015480275 567156368 /nfs/dbraw/zinc/15/63/68/567156368.db2.gz BHSDAIOMUHHKAH-GQCTYLIASA-N 0 0 255.346 3.509 50 0 CHAARN CCn1cc(C2=N[C@H](CCSC)CO2)c2ccccc21 ZINC000003029700 567157488 /nfs/dbraw/zinc/15/74/88/567157488.db2.gz LPYWLSGKERDNJZ-GFCCVEGCSA-N 0 0 288.416 3.560 50 0 CHAARN CN(C(=O)c1cccc(Cl)c1)c1nc2ccccc2o1 ZINC000057535988 567158142 /nfs/dbraw/zinc/15/81/42/567158142.db2.gz HKRZBDKPGWGUII-UHFFFAOYSA-N 0 0 286.718 3.758 50 0 CHAARN O=C(Nc1ccc(Cl)c2ncccc12)c1ccncc1 ZINC000057547549 567158177 /nfs/dbraw/zinc/15/81/77/567158177.db2.gz YAOSTISNIUSXMX-UHFFFAOYSA-N 0 0 283.718 3.536 50 0 CHAARN Cc1cc(C)cc(N[C@H](C)C(=O)N(C(C)C)C(C)C)c1 ZINC000057634908 567160319 /nfs/dbraw/zinc/16/03/19/567160319.db2.gz KMBKUHKSFLTBDB-OAHLLOKOSA-N 0 0 276.424 3.749 50 0 CHAARN Cc1noc(C)c1C(=O)Nc1ccc(Cl)cc1Cl ZINC000003105237 567160556 /nfs/dbraw/zinc/16/05/56/567160556.db2.gz WBDNQUALSGBYMB-UHFFFAOYSA-N 0 0 285.130 3.851 50 0 CHAARN C[C@H](Nc1ccc(F)cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000057634873 567161131 /nfs/dbraw/zinc/16/11/31/567161131.db2.gz KOJSKRHKUZSVNW-STQMWFEESA-N 0 0 298.361 3.604 50 0 CHAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1ccncc1 ZINC000057561391 567161421 /nfs/dbraw/zinc/16/14/21/567161421.db2.gz SAYXSRMYGLFRLJ-HNNXBMFYSA-N 0 0 286.762 3.712 50 0 CHAARN CCN(CC)C(=S)SC(=O)c1ccccc1Cl ZINC000003173608 567162216 /nfs/dbraw/zinc/16/22/16/567162216.db2.gz MEDCPWIYYZNOCJ-UHFFFAOYSA-N 0 0 287.837 3.840 50 0 CHAARN CC(C)C[C@H](NC(=O)c1ccc[nH]1)c1ccccc1 ZINC000057897270 567166199 /nfs/dbraw/zinc/16/61/99/567166199.db2.gz SGHSNIDYWZAMNQ-HNNXBMFYSA-N 0 0 256.349 3.532 50 0 CHAARN COc1cc2ccccc2cc1C(=O)O[C@@H]1CCCCC1=O ZINC000003319860 567168568 /nfs/dbraw/zinc/16/85/68/567168568.db2.gz USGNAZMWXGGNJS-MRXNPFEDSA-N 0 0 298.338 3.517 50 0 CHAARN CN(Cc1cccs1)C(=O)c1ccc2ccccc2n1 ZINC000003413632 567172678 /nfs/dbraw/zinc/17/26/78/567172678.db2.gz IOFJWBATERBCAV-UHFFFAOYSA-N 0 0 282.368 3.569 50 0 CHAARN CCCn1nc(C2CC2)nc1-c1cc2ccccc2[nH]1 ZINC000670440757 567172710 /nfs/dbraw/zinc/17/27/10/567172710.db2.gz KOMDGTXYIQMZGT-UHFFFAOYSA-N 0 0 266.348 3.714 50 0 CHAARN COc1ccc(C(=O)Nc2ccc(C)c3ncccc23)cc1 ZINC000031091762 567175565 /nfs/dbraw/zinc/17/55/65/567175565.db2.gz HGTDXEYIKRLKRT-UHFFFAOYSA-N 0 0 292.338 3.804 50 0 CHAARN CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2C)cc1 ZINC000003504304 567176486 /nfs/dbraw/zinc/17/64/86/567176486.db2.gz HQLXEFCLOHVRGM-AWEZNQCLSA-N 0 0 297.354 3.604 50 0 CHAARN COc1ccc2oc(C(=O)NCc3ccccc3)c(C)c2c1 ZINC000003561745 567178547 /nfs/dbraw/zinc/17/85/47/567178547.db2.gz JMCHHOSIWHMZQV-UHFFFAOYSA-N 0 0 295.338 3.680 50 0 CHAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1 ZINC000003551947 567179065 /nfs/dbraw/zinc/17/90/65/567179065.db2.gz MMBWMKHHJNUTFO-UHFFFAOYSA-N 0 0 275.735 3.909 50 0 CHAARN CCN(CC)c1ccc(NC(=O)c2cc(C)ccc2O)cc1 ZINC000031911277 567185387 /nfs/dbraw/zinc/18/53/87/567185387.db2.gz DGQWJFWYCSARSR-UHFFFAOYSA-N 0 0 298.386 3.799 50 0 CHAARN O=C(Cc1cccs1)N1CCCc2cc(Cl)ccc21 ZINC000031925506 567185678 /nfs/dbraw/zinc/18/56/78/567185678.db2.gz DVYYWMDFFLJKPH-UHFFFAOYSA-N 0 0 291.803 3.923 50 0 CHAARN CCSc1nnc(-c2ccncc2)n1-c1ccccc1C ZINC000004145548 567189473 /nfs/dbraw/zinc/18/94/73/567189473.db2.gz DJPVTIDWCIHSGD-UHFFFAOYSA-N 0 0 296.399 3.750 50 0 CHAARN Cc1cc2cc(CNC(=O)c3ccccc3C)ccc2[nH]1 ZINC000004138001 567189888 /nfs/dbraw/zinc/18/98/88/567189888.db2.gz BVOCZPSJLBAZPQ-UHFFFAOYSA-N 0 0 278.355 3.715 50 0 CHAARN CC(C)(C)c1nc2cc(NC(=O)c3ccco3)ccc2[nH]1 ZINC000032465258 567191489 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FC(F)(Cl)C(F)(F)C(Cl)(Cl)Cl ZINC000063146272 567897392 /nfs/dbraw/zinc/89/73/92/567897392.db2.gz IQJADVFBZGJGSI-UHFFFAOYSA-N 0 0 253.837 3.824 50 0 CHAARN COc1ccc2cc([C@H](C)S[C@@H](C)C(N)=O)ccc2c1 ZINC000096435656 567897526 /nfs/dbraw/zinc/89/75/26/567897526.db2.gz KFSHXPIFCJRFQQ-QWRGUYRKSA-N 0 0 289.400 3.516 50 0 CHAARN Brc1cccc2c1CN(Cc1ccccc1)C2 ZINC000064034452 567897637 /nfs/dbraw/zinc/89/76/37/567897637.db2.gz PXCBVDGJELFHKH-UHFFFAOYSA-N 0 0 288.188 3.965 50 0 CHAARN Fc1c(Cl)cc(I)cc1Cl ZINC000063361003 567897679 /nfs/dbraw/zinc/89/76/79/567897679.db2.gz UCQPKKMSAOKIEA-UHFFFAOYSA-N 0 0 290.890 3.737 50 0 CHAARN O=C(Nc1cccnc1/C=C/c1ccccc1)C1CC1 ZINC000065376608 567898734 /nfs/dbraw/zinc/89/87/34/567898734.db2.gz RDRMYOMYAGERQC-DHZHZOJOSA-N 0 0 264.328 3.601 50 0 CHAARN c1ccc(Cc2nnc([C@@H]3C[C@H]3c3ccccc3)[nH]2)cc1 ZINC000065429209 567899006 /nfs/dbraw/zinc/89/90/06/567899006.db2.gz SVNCVGFCHMJPQV-JKSUJKDBSA-N 0 0 275.355 3.667 50 0 CHAARN CCC[C@@H](C)c1c(-c2ccccc2)ncn1CCNC(C)=O 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/nfs/dbraw/zinc/90/11/45/567901145.db2.gz JNDIIMBCXUJJLT-UHFFFAOYSA-N 0 0 277.270 3.599 50 0 CHAARN COc1ccc(Nc2cc(-c3ccc(OC)cc3)[nH]n2)cc1 ZINC000068754784 567901313 /nfs/dbraw/zinc/90/13/13/567901313.db2.gz ZQNRUFGOOCSTPP-UHFFFAOYSA-N 0 0 295.342 3.838 50 0 CHAARN CSc1ccc(Oc2cc(Cl)ncn2)cc1 ZINC000070159290 567901469 /nfs/dbraw/zinc/90/14/69/567901469.db2.gz CBKOCWZPJOLIKH-UHFFFAOYSA-N 0 0 252.726 3.644 50 0 CHAARN CCc1[nH]c2c(cc(F)cc2CNc2cnccn2)c1C ZINC000071767868 567901960 /nfs/dbraw/zinc/90/19/60/567901960.db2.gz YTBZHBKQAXBMPI-UHFFFAOYSA-N 0 0 284.338 3.580 50 0 CHAARN CC(C)c1ocnc1C(=O)N1c2ccccc2CC[C@H]1C ZINC000071915219 567902053 /nfs/dbraw/zinc/90/20/53/567902053.db2.gz RNXVKCSIJMPQJQ-GFCCVEGCSA-N 0 0 284.359 3.780 50 0 CHAARN C[C@@H](c1cccs1)N(C)C(=O)c1cnc2ccccc2n1 ZINC000033235921 567902116 /nfs/dbraw/zinc/90/21/16/567902116.db2.gz QSVLYEOHESJTMO-NSHDSACASA-N 0 0 297.383 3.525 50 0 CHAARN Cc1cc(C2CCC2)nc(N[C@H](C)c2ncccc2C)n1 ZINC000071776742 567902278 /nfs/dbraw/zinc/90/22/78/567902278.db2.gz PHLPOQVOMMBFNB-CYBMUJFWSA-N 0 0 282.391 3.929 50 0 CHAARN CCc1ccc(-c2nccn2[C@@H](C)c2ccco2)nc1 ZINC000072429418 567902485 /nfs/dbraw/zinc/90/24/85/567902485.db2.gz IIJSCAMCRHAUNG-LBPRGKRZSA-N 0 0 267.332 3.710 50 0 CHAARN Cc1nc(C(C)C)sc1-c1nc(-c2ccncc2)no1 ZINC000074456668 567903393 /nfs/dbraw/zinc/90/33/93/567903393.db2.gz XHKFOIVUSYEBEO-UHFFFAOYSA-N 0 0 286.360 3.687 50 0 CHAARN CC(C)(C)[C@H]1COC(c2cccc(Br)c2)=N1 ZINC000074934300 567903858 /nfs/dbraw/zinc/90/38/58/567903858.db2.gz CSYTWKXWVGPLIJ-LLVKDONJSA-N 0 0 282.181 3.641 50 0 CHAARN COc1ccc(C=C(Br)Br)cc1 ZINC000075421010 567904001 /nfs/dbraw/zinc/90/40/01/567904001.db2.gz WPCVWFREMZVRMJ-UHFFFAOYSA-N 0 0 291.970 3.783 50 0 CHAARN C[C@H](c1ccncc1)N(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000097113694 567904462 /nfs/dbraw/zinc/90/44/62/567904462.db2.gz ZBERBGNKTJBWOZ-CQSZACIVSA-N 0 0 292.386 3.665 50 0 CHAARN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccncc1F ZINC000097135931 567904500 /nfs/dbraw/zinc/90/45/00/567904500.db2.gz DPSIOAUESAZOCZ-GXTWGEPZSA-N 0 0 299.349 3.631 50 0 CHAARN CC(C)Cn1ncnc1CN[C@H](C)c1cc2ccccc2o1 ZINC000097111323 567904518 /nfs/dbraw/zinc/90/45/18/567904518.db2.gz LAMSYKPRLCFTTC-CYBMUJFWSA-N 0 0 298.390 3.531 50 0 CHAARN Cc1cc(C)n(C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)n1 ZINC000000034691 567904572 /nfs/dbraw/zinc/90/45/72/567904572.db2.gz UIFNZABODPAWGD-MWLCHTKSSA-N 0 0 287.190 3.731 50 0 CHAARN Cc1nnc([C@@H](C)N[C@H](C)c2oc3ccccc3c2C)o1 ZINC000097111911 567904661 /nfs/dbraw/zinc/90/46/61/567904661.db2.gz JMRABMWVCWFGKU-GHMZBOCLSA-N 0 0 285.347 3.844 50 0 CHAARN Cc1nn2c(nc(NCC(C)C)c3ccccc32)c1Cl ZINC000023053350 567904740 /nfs/dbraw/zinc/90/47/40/567904740.db2.gz SXBKIFDZFSZBAS-UHFFFAOYSA-N 0 0 288.782 3.912 50 0 CHAARN O=C(NCc1cccnc1)Nc1cccc2ccsc21 ZINC000337344310 567905288 /nfs/dbraw/zinc/90/52/88/567905288.db2.gz KDHOIAWAUUIEPY-UHFFFAOYSA-N 0 0 283.356 3.618 50 0 CHAARN Cc1cc(C)c(C(=O)Nc2cccc(F)c2)c(Cl)n1 ZINC000000039050 567905489 /nfs/dbraw/zinc/90/54/89/567905489.db2.gz YUAJCSVZQIHMDJ-UHFFFAOYSA-N 0 0 278.714 3.743 50 0 CHAARN CCCn1nc(C)c(CNc2nc3ccccc3o2)c1C ZINC000097231787 567905848 /nfs/dbraw/zinc/90/58/48/567905848.db2.gz OCRLJDUGLFFJGI-UHFFFAOYSA-N 0 0 284.363 3.663 50 0 CHAARN CC(=O)N(C)c1cccc(N[C@@H]2CCc3ccccc32)c1 ZINC000097231975 567905953 /nfs/dbraw/zinc/90/59/53/567905953.db2.gz HLHDOGRZYVSAEE-GOSISDBHSA-N 0 0 280.371 3.769 50 0 CHAARN Cc1cc(C)n(C(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000000044268 567905954 /nfs/dbraw/zinc/90/59/54/567905954.db2.gz GDGNTKCWCWLAPD-UHFFFAOYSA-N 0 0 276.339 3.855 50 0 CHAARN Clc1cnc(Br)c(Cl)c1Cl ZINC000079058104 567906130 /nfs/dbraw/zinc/90/61/30/567906130.db2.gz FIVRAKJGPYXVEV-UHFFFAOYSA-N 0 0 261.333 3.804 50 0 CHAARN Clc1ccnc(NCc2cnc(C3CC3)s2)c1 ZINC000585139128 567906818 /nfs/dbraw/zinc/90/68/18/567906818.db2.gz CELAZKYLEMLEIC-UHFFFAOYSA-N 0 0 265.769 3.681 50 0 CHAARN Cc1ocnc1C(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000082120010 567906966 /nfs/dbraw/zinc/90/69/66/567906966.db2.gz 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/nfs/dbraw/zinc/90/98/71/567909871.db2.gz LPZWGMTVZHMVJJ-LBPRGKRZSA-N 0 0 279.343 3.846 50 0 CHAARN CC[C@H]1C=CCN1C(=O)c1cccc2cc(C)oc21 ZINC000097156120 567910687 /nfs/dbraw/zinc/91/06/87/567910687.db2.gz FXUVOYPYNKFYMK-ZDUSSCGKSA-N 0 0 255.317 3.532 50 0 CHAARN CC(=O)NCc1ccc(-c2csc3ccccc32)nc1 ZINC000097679769 567910821 /nfs/dbraw/zinc/91/08/21/567910821.db2.gz NDBOCSWEWWOOEX-UHFFFAOYSA-N 0 0 282.368 3.599 50 0 CHAARN COC(=O)c1ccc(F)c(-c2ccc(F)c(C)c2)c1 ZINC000097757387 567911406 /nfs/dbraw/zinc/91/14/06/567911406.db2.gz DDTUSPAOOKHRKL-UHFFFAOYSA-N 0 0 262.255 3.727 50 0 CHAARN CCc1c(C)[nH]c2cc(-c3ccc(Cl)cc3)nn2c1=O ZINC000100549439 567913415 /nfs/dbraw/zinc/91/34/15/567913415.db2.gz INGHGUSHGXHYOH-UHFFFAOYSA-N 0 0 287.750 3.626 50 0 CHAARN Cc1ccc2c(c1)[C@H](Cc1cc(C)ccc1C)C(=O)N2 ZINC000101016027 567914560 /nfs/dbraw/zinc/91/45/60/567914560.db2.gz UKGKEZRNTUXRHY-INIZCTEOSA-N 0 0 265.356 3.890 50 0 CHAARN CCc1ccc(C[C@H]2c3cccc(C)c3NC2=O)cc1 ZINC000101016143 567914562 /nfs/dbraw/zinc/91/45/62/567914562.db2.gz VPVTYBKBOZIWPT-INIZCTEOSA-N 0 0 265.356 3.836 50 0 CHAARN COc1ccc(Nc2cc(=O)oc3ccccc23)cc1 ZINC000101272446 567914835 /nfs/dbraw/zinc/91/48/35/567914835.db2.gz RLYGOWSMMOJJCI-UHFFFAOYSA-N 0 0 267.284 3.545 50 0 CHAARN CN(Cc1cccc(Cl)c1)C(=O)NCc1ccccc1 ZINC000014188136 567915654 /nfs/dbraw/zinc/91/56/54/567915654.db2.gz HCLBWRWTHBCFLH-UHFFFAOYSA-N 0 0 288.778 3.682 50 0 CHAARN C[C@@H]1CCN(C(=O)Nc2ccccc2-n2cccn2)[C@@H](C)C1 ZINC000072313570 567917168 /nfs/dbraw/zinc/91/71/68/567917168.db2.gz LXCRJYGACYEXSY-KGLIPLIRSA-N 0 0 298.390 3.525 50 0 CHAARN Cc1c(C=O)n2c3ccc(F)c(F)c3n3c2c1CCCC3 ZINC000000106998 567922899 /nfs/dbraw/zinc/92/28/99/567922899.db2.gz PWZRPECFWUZNRS-UHFFFAOYSA-N 0 0 288.297 3.629 50 0 CHAARN COc1cccc(NC(=S)N2CCCc3ccccc32)c1 ZINC000000110335 567923242 /nfs/dbraw/zinc/92/32/42/567923242.db2.gz QROHTFRPZIPKJF-UHFFFAOYSA-N 0 0 298.411 3.845 50 0 CHAARN Cc1ccc(C(=O)Nc2ccccc2O)cc1-n1cccc1 ZINC000011679703 567923303 /nfs/dbraw/zinc/92/33/03/567923303.db2.gz LTPXZQZBQDFPOK-UHFFFAOYSA-N 0 0 292.338 3.744 50 0 CHAARN O=C(Nc1ccc2c3c(cccc31)C(=O)N2)c1ccccc1 ZINC000000127465 567923495 /nfs/dbraw/zinc/92/34/95/567923495.db2.gz GEAQUZMJAADWTK-UHFFFAOYSA-N 0 0 288.306 3.658 50 0 CHAARN Cc1cc(C)cc(OC(=O)COc2ccccc2C)c1 ZINC000000130120 567923674 /nfs/dbraw/zinc/92/36/74/567923674.db2.gz QZYMGORANHJIIC-UHFFFAOYSA-N 0 0 270.328 3.596 50 0 CHAARN FC(F)(F)c1ccnc(SCc2ccccc2)n1 ZINC000000160138 567924166 /nfs/dbraw/zinc/92/41/66/567924166.db2.gz OBIPCIHWFZOVSQ-UHFFFAOYSA-N 0 0 270.279 3.788 50 0 CHAARN COC(=O)C[C@]1(C)O[C@@H]2CCCC[C@H]2C2=CCCC[C@@H]21 ZINC000247862945 567924179 /nfs/dbraw/zinc/92/41/79/567924179.db2.gz WNVJVFWHEQPCPV-MPTYRVRUSA-N 0 0 278.392 3.624 50 0 biogenic CHAARN O=Cc1ccc(-c2ncc(-c3ccccc3)o2)s1 ZINC000000174998 567924456 /nfs/dbraw/zinc/92/44/56/567924456.db2.gz RPGPIFHZOMEZNJ-UHFFFAOYSA-N 0 0 255.298 3.883 50 0 CHAARN CN(C(=O)c1ccncc1)c1ccc2ccccc2c1 ZINC000050034206 567924731 /nfs/dbraw/zinc/92/47/31/567924731.db2.gz DKACBQZLJBNNEJ-UHFFFAOYSA-N 0 0 262.312 3.511 50 0 CHAARN CCCC(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C ZINC000000200815 567924982 /nfs/dbraw/zinc/92/49/82/567924982.db2.gz KOUQIWZCZXNEEP-LBPRGKRZSA-N 0 0 273.380 3.595 50 0 CHAARN CCCC(=O)N[C@H](C)c1nc2ccccc2n1C(C)C ZINC000000200817 567925110 /nfs/dbraw/zinc/92/51/10/567925110.db2.gz KOUQIWZCZXNEEP-GFCCVEGCSA-N 0 0 273.380 3.595 50 0 CHAARN CC(C)c1ocnc1CSCc1ccnc(N(C)C)c1 ZINC000127798451 567925297 /nfs/dbraw/zinc/92/52/97/567925297.db2.gz MESXMKJCPBAYGX-UHFFFAOYSA-N 0 0 291.420 3.692 50 0 CHAARN c1nc(CN2CCc3ccccc3C2)oc1-c1ccccc1 ZINC000023731990 567925442 /nfs/dbraw/zinc/92/54/42/567925442.db2.gz RPHMQOINDLUAFO-UHFFFAOYSA-N 0 0 290.366 3.900 50 0 CHAARN COc1ccc2c(c1)C(=O)C[C@H](c1ccccc1F)O2 ZINC000000235475 567925462 /nfs/dbraw/zinc/92/54/62/567925462.db2.gz ZEWWYULIPGVKHG-MRXNPFEDSA-N 0 0 272.275 3.541 50 0 biogenic CHAARN CCCC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000000257066 567925611 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Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ccccc2)c1 ZINC000000316792 169606423 /nfs/dbraw/zinc/60/64/23/169606423.db2.gz KNSRFRBOOPEPPY-OAHLLOKOSA-N 0 0 283.371 3.560 50 0 CHAARN CN(C(=O)c1ccccc1)c1nc2ccccc2s1 ZINC000000320651 169607899 /nfs/dbraw/zinc/60/78/99/169607899.db2.gz HZIHROTYRLKEHQ-UHFFFAOYSA-N 0 0 268.341 3.573 50 0 CHAARN C[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccccc2)C1 ZINC000000341187 169611603 /nfs/dbraw/zinc/61/16/03/169611603.db2.gz UQWNQSQLJJGULA-JTQLQIEISA-N 0 0 286.400 3.707 50 0 CHAARN CC(C)(C)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000000354147 169615553 /nfs/dbraw/zinc/61/55/53/169615553.db2.gz XNAGMTVVJBQTBA-UHFFFAOYSA-N 0 0 267.372 3.733 50 0 CHAARN CC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 ZINC000000358038 169616061 /nfs/dbraw/zinc/61/60/61/169616061.db2.gz MHXIURVMXPJQKX-UHFFFAOYSA-N 0 0 288.347 3.837 50 0 CHAARN Cc1ccc(NC(=O)C(C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000000357230 169616062 /nfs/dbraw/zinc/61/60/62/169616062.db2.gz KEJQFDOCJMGSMD-UHFFFAOYSA-N 0 0 296.370 3.517 50 0 CHAARN 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FC(F)[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2ccnn21 ZINC000002784751 169830678 /nfs/dbraw/zinc/83/06/78/169830678.db2.gz OEFKRFDOUVYBDN-GHMZBOCLSA-N 0 0 283.709 3.900 50 0 CHAARN Cc1cc2n(n1)[C@@H](C(F)F)C[C@H](c1ccc(C)cc1)N2 ZINC000002784740 169830803 /nfs/dbraw/zinc/83/08/03/169830803.db2.gz WDDIQTCHKILZSD-CHWSQXEVSA-N 0 0 277.318 3.863 50 0 CHAARN Cc1ccc(N2NC3(CCCCCC3)NC2=S)cc1C ZINC000002801894 169832800 /nfs/dbraw/zinc/83/28/00/169832800.db2.gz HRSMQAYBJBXTTN-UHFFFAOYSA-N 0 0 289.448 3.553 50 0 CHAARN Cc1ccc(SCc2nc(-c3ccncc3)no2)cc1 ZINC000002866799 169839060 /nfs/dbraw/zinc/83/90/60/169839060.db2.gz RBXIYNQUDBEIKH-UHFFFAOYSA-N 0 0 283.356 3.732 50 0 CHAARN Cc1cccc(O[C@@H](C)C(=O)NC2CCCCCCC2)c1 ZINC000002879787 169840421 /nfs/dbraw/zinc/84/04/21/169840421.db2.gz DNSDZBPTBNNDGE-HNNXBMFYSA-N 0 0 289.419 3.991 50 0 CHAARN CSc1cccc(NC=C2C(=O)Nc3ccccc32)c1 ZINC000002914165 169844439 /nfs/dbraw/zinc/84/44/39/169844439.db2.gz KQUMSCLXYMDAOX-UVTDQMKNSA-N 0 0 282.368 3.814 50 0 CHAARN CC(C)CCC[C@H](C)NC(=O)Cc1ccc(F)cc1 ZINC000002989044 169847484 /nfs/dbraw/zinc/84/74/84/169847484.db2.gz IOXYJRLBQHEGPH-ZDUSSCGKSA-N 0 0 265.372 3.699 50 0 CHAARN CCCCOC(=O)CCn1c2ccccc2oc1=S ZINC000003068448 169851974 /nfs/dbraw/zinc/85/19/74/169851974.db2.gz LIOQOOMBIHJXGS-UHFFFAOYSA-N 0 0 279.361 3.697 50 0 CHAARN C[C@H](Cc1cccs1)NC(=O)Nc1ccccc1 ZINC000003211534 169868619 /nfs/dbraw/zinc/86/86/19/169868619.db2.gz MMOWDBQIGUAYOF-LLVKDONJSA-N 0 0 260.362 3.501 50 0 CHAARN CC[C@H]1CCCCN1C(=O)CSC1CCCCC1 ZINC000003257933 169872628 /nfs/dbraw/zinc/87/26/28/169872628.db2.gz SHTILZXRCGQERA-ZDUSSCGKSA-N 0 0 269.454 3.843 50 0 CHAARN C[C@H]1C[C@@H]1C(=O)OCc1ccc(Cl)cc1Cl ZINC000003259539 169873078 /nfs/dbraw/zinc/87/30/78/169873078.db2.gz HHVOGRFDSJSCMB-XVKPBYJWSA-N 0 0 259.132 3.693 50 0 CHAARN CCC[C@H](C)C(=O)OCC(=O)c1cccc(Cl)c1 ZINC000003303308 169876950 /nfs/dbraw/zinc/87/69/50/169876950.db2.gz AIVYPYSGFJZMOW-JTQLQIEISA-N 0 0 268.740 3.502 50 0 CHAARN c1nc2n(n1)C1=C(CCCCC1)C1(CCCCCC1)N2 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169939397 /nfs/dbraw/zinc/93/93/97/169939397.db2.gz RZHOYJOWHFGCJD-UHFFFAOYSA-N 0 0 281.359 3.599 50 0 CHAARN CCCSc1sc(C(=O)OCC)c2c1C(=O)CCC2 ZINC000004286360 169953277 /nfs/dbraw/zinc/95/32/77/169953277.db2.gz LVWYWXLMDBCCKZ-UHFFFAOYSA-N 0 0 298.429 3.946 50 0 CHAARN CCC(=O)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1 ZINC000004340114 169959158 /nfs/dbraw/zinc/95/91/58/169959158.db2.gz AVHZPPKFXUYCRN-UHFFFAOYSA-N 0 0 294.306 3.775 50 0 biogenic CHAARN CC(=O)c1ccc(NC(=O)CCc2ccc(C)s2)cc1 ZINC000004540260 169981059 /nfs/dbraw/zinc/98/10/59/169981059.db2.gz STYQOASTGMWXQI-UHFFFAOYSA-N 0 0 287.384 3.830 50 0 CHAARN Cc1nnsc1C(=O)N(c1ccccc1)c1ccccc1 ZINC000004584566 169987442 /nfs/dbraw/zinc/98/74/42/169987442.db2.gz ORVUSKNUQNPKJQ-UHFFFAOYSA-N 0 0 295.367 3.825 50 0 CHAARN O=C1OC(c2ccccc2)=N/C1=C\c1cccc(Cl)c1 ZINC000004590396 169987874 /nfs/dbraw/zinc/98/78/74/169987874.db2.gz RDRVUTVFMPWSDY-UVTDQMKNSA-N 0 0 283.714 3.685 50 0 CHAARN C[C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000004702919 170001915 /nfs/dbraw/zinc/00/19/15/170001915.db2.gz NCEWXWHANSLPTP-LZGFCCKTSA-N 0 0 263.768 3.612 50 0 CHAARN COc1cc(C)ccc1OCCOc1cccc(C)c1 ZINC000004701941 170001943 /nfs/dbraw/zinc/00/19/43/170001943.db2.gz YPVDYYVQAVUEEB-UHFFFAOYSA-N 0 0 272.344 3.770 50 0 CHAARN O=C(NCc1ccc(-n2cccc2)cc1)C1CCCCC1 ZINC000004708095 170003010 /nfs/dbraw/zinc/00/30/10/170003010.db2.gz KEXUVMGCNADJIJ-UHFFFAOYSA-N 0 0 282.387 3.674 50 0 CHAARN CCC(CC)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000004723564 170006085 /nfs/dbraw/zinc/00/60/85/170006085.db2.gz GEGJDKOGTJJDTQ-UHFFFAOYSA-N 0 0 283.799 3.802 50 0 CHAARN Fc1c(F)c(F)c2c(c1F)NCc1ccccc1O2 ZINC000004727454 170006765 /nfs/dbraw/zinc/00/67/65/170006765.db2.gz YYFOMKONTUXVNY-UHFFFAOYSA-N 0 0 269.197 3.961 50 0 CHAARN CCOc1ccccc1C(=O)Nc1cc(F)cc(F)c1 ZINC000004740667 170008811 /nfs/dbraw/zinc/00/88/11/170008811.db2.gz APDMRBTVYOZGFY-UHFFFAOYSA-N 0 0 277.270 3.616 50 0 CHAARN O=C(COc1ccc(Cl)cc1)Nc1cc(F)cc(F)c1 ZINC000004740673 170008895 /nfs/dbraw/zinc/00/88/95/170008895.db2.gz 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CC(C)[C@@H](NC(=O)c1cccs1)c1nc2ccccc2[nH]1 ZINC000005020208 170056798 /nfs/dbraw/zinc/05/67/98/170056798.db2.gz WECNMWSZIPZGGE-CQSZACIVSA-N 0 0 299.399 3.752 50 0 CHAARN CC[C@@H](C)[C@H](N)c1nnc(SCc2ccc(F)cc2)o1 ZINC000005025246 170056964 /nfs/dbraw/zinc/05/69/64/170056964.db2.gz BSBSHLNOMCAHCK-SKDRFNHKSA-N 0 0 295.383 3.547 50 0 CHAARN CCc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)o1 ZINC000005032647 170058805 /nfs/dbraw/zinc/05/88/05/170058805.db2.gz KXHAUXWURKAKPU-ZHACJKMWSA-N 0 0 255.317 3.802 50 0 CHAARN Cc1ccccc1CSc1nnc([C@@H](N)CC(C)C)o1 ZINC000005045939 170060408 /nfs/dbraw/zinc/06/04/08/170060408.db2.gz SMIIBYMLUWYGMJ-ZDUSSCGKSA-N 0 0 291.420 3.716 50 0 CHAARN Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(O)c1 ZINC000005066026 170063212 /nfs/dbraw/zinc/06/32/12/170063212.db2.gz RPBRCSLXSXCFOW-UHFFFAOYSA-N 0 0 295.260 3.972 50 0 CHAARN CC(C)(C)CC(=O)Nc1c2c(nn1C(C)(C)C)CSC2 ZINC000005077179 170064308 /nfs/dbraw/zinc/06/43/08/170064308.db2.gz GHOFTNCNNSYXPA-UHFFFAOYSA-N 0 0 295.452 3.760 50 0 CHAARN CC(=O)Nc1ccccc1OCc1nc2ccccc2s1 ZINC000005111843 170067294 /nfs/dbraw/zinc/06/72/94/170067294.db2.gz CZBHHOBXFCXZQZ-UHFFFAOYSA-N 0 0 298.367 3.834 50 0 CHAARN COc1ccc(-c2n[nH]c(C)c2-c2ccc(F)cc2)c(O)c1 ZINC000005123814 170068454 /nfs/dbraw/zinc/06/84/54/170068454.db2.gz QDXRHGKAGJWXAX-UHFFFAOYSA-N 0 0 298.317 3.905 50 0 CHAARN CN1c2ccccc2C(C)(C)[C@@]12CC(c1ccccc1)=NO2 ZINC000005173821 170073520 /nfs/dbraw/zinc/07/35/20/170073520.db2.gz YZNQGSYFLNIVQA-IBGZPJMESA-N 0 0 292.382 3.935 50 0 CHAARN CCO[C@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1 ZINC000005247606 170078732 /nfs/dbraw/zinc/07/87/32/170078732.db2.gz GOKVIMNWZMCYMH-IAGOWNOFSA-N 0 0 269.344 3.932 50 0 CHAARN CCSc1ccccc1C(=O)N1CCC[C@@H](C)C1 ZINC000005244483 170078929 /nfs/dbraw/zinc/07/89/29/170078929.db2.gz IGRHPWURLDDQTE-GFCCVEGCSA-N 0 0 263.406 3.671 50 0 CHAARN CCCC(=O)Nc1nc2c(s1)c(Cl)ccc2OC ZINC000005256609 170080555 /nfs/dbraw/zinc/08/05/55/170080555.db2.gz HBKYAYYDZMYOAU-UHFFFAOYSA-N 0 0 284.768 3.697 50 0 CHAARN Cc1csc(NC(=O)Nc2cn(C)c3ccccc23)n1 ZINC000005265873 170081350 /nfs/dbraw/zinc/08/13/50/170081350.db2.gz DQKNYPXCHWHTCS-UHFFFAOYSA-N 0 0 286.360 3.587 50 0 CHAARN c1c[nH]c(-c2c(-c3ccccc3)n[nH]c2-c2cccnc2)n1 ZINC000005264539 170081399 /nfs/dbraw/zinc/08/13/99/170081399.db2.gz UBAGEXOAILHTOK-UHFFFAOYSA-N 0 0 287.326 3.529 50 0 CHAARN CCn1cc(NC(=O)Nc2nccs2)c2ccccc21 ZINC000005266207 170081407 /nfs/dbraw/zinc/08/14/07/170081407.db2.gz FJLKGNQSBVFDQM-UHFFFAOYSA-N 0 0 286.360 3.762 50 0 CHAARN O=[S@](CCOc1ccccc1)c1ccc(Cl)cc1 ZINC000005279472 170082486 /nfs/dbraw/zinc/08/24/86/170082486.db2.gz UAEGIDUXJWDFKH-SFHVURJKSA-N 0 0 280.776 3.527 50 0 CHAARN CCO[C@@H]1CC(c2ccccc2)=NN1c1ccccc1 ZINC000005316525 170085067 /nfs/dbraw/zinc/08/50/67/170085067.db2.gz PYXWEMLGLLDITE-QGZVFWFLSA-N 0 0 266.344 3.664 50 0 CHAARN O=c1ccc(-c2ccccc2)nn1Cc1cccc(Cl)c1 ZINC000005388303 170093217 /nfs/dbraw/zinc/09/32/17/170093217.db2.gz VVRSTIKEEDQDIQ-UHFFFAOYSA-N 0 0 296.757 3.612 50 0 CHAARN 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CCCCCCn1c(CN(C)C(C)=O)nc2ccccc21 ZINC000033316563 171782470 /nfs/dbraw/zinc/78/24/70/171782470.db2.gz QJMBISRTXGUPAO-UHFFFAOYSA-N 0 0 287.407 3.595 50 0 CHAARN O=C(CCc1ccccc1Cl)Nc1n[nH]c2ccccc21 ZINC000034867705 171890176 /nfs/dbraw/zinc/89/01/76/171890176.db2.gz JXMCMJQYKHKSPK-UHFFFAOYSA-N 0 0 299.761 3.788 50 0 CHAARN CC(C)N(Cc1nnsc1Cl)Cc1ccccc1 ZINC000035165106 172026608 /nfs/dbraw/zinc/02/66/08/172026608.db2.gz BFGMOLQORGKJEP-UHFFFAOYSA-N 0 0 281.812 3.602 50 0 CHAARN COc1ccc(Cl)cc1CN[C@@H](C)c1ccccn1 ZINC000035180212 172033241 /nfs/dbraw/zinc/03/32/41/172033241.db2.gz JCUSQZFAACMOTP-NSHDSACASA-N 0 0 276.767 3.594 50 0 CHAARN CCC[C@H](C)N(C)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000035239227 172077519 /nfs/dbraw/zinc/07/75/19/172077519.db2.gz DHFIYBFLBWEFAM-QMMMGPOBSA-N 0 0 275.179 3.649 50 0 CHAARN O=C([O-])[C@H]1CCCC[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000035287380 172105177 /nfs/dbraw/zinc/10/51/77/172105177.db2.gz GKLOPSRZENLNSU-QGZVFWFLSA-N 0 0 295.382 3.715 50 0 CHAARN Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1ccc(C)cc1 ZINC000035476334 172221671 /nfs/dbraw/zinc/22/16/71/172221671.db2.gz SJELHVMZPZKAJZ-OAHLLOKOSA-N 0 0 284.359 3.577 50 0 CHAARN CCOc1ccc(-c2nc(-c3cccs3)no2)cc1 ZINC000035672122 172343858 /nfs/dbraw/zinc/34/38/58/172343858.db2.gz UKUXGNJMGQEHRX-UHFFFAOYSA-N 0 0 272.329 3.864 50 0 CHAARN C[C@H](NC(=O)c1cccn1C)c1ccc(C(F)(F)F)cc1 ZINC000036391514 172629788 /nfs/dbraw/zinc/62/97/88/172629788.db2.gz DGNSAKXVEYGWIK-JTQLQIEISA-N 0 0 296.292 3.535 50 0 CHAARN O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC000037362106 173151946 /nfs/dbraw/zinc/15/19/46/173151946.db2.gz DHWQRWLBQISUPU-GFCCVEGCSA-N 0 0 288.174 3.605 50 0 CHAARN O[C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000037465039 173226170 /nfs/dbraw/zinc/22/61/70/173226170.db2.gz RWKNMZLQGZSYLL-ZDUSSCGKSA-N 0 0 281.124 3.670 50 0 CHAARN Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000037502188 173238642 /nfs/dbraw/zinc/23/86/42/173238642.db2.gz CMFQYFKDPZLFAO-UHFFFAOYSA-N 0 0 260.042 3.517 50 0 CHAARN Cc1ccccc1C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000038566874 174146440 /nfs/dbraw/zinc/14/64/40/174146440.db2.gz JETVHWZLFBSBDS-INIZCTEOSA-N 0 0 265.356 3.625 50 0 CHAARN OC(CSc1ccccc1)CSc1ccccc1 ZINC000039262598 174167493 /nfs/dbraw/zinc/16/74/93/174167493.db2.gz UTEZTCVRMVTVSA-UHFFFAOYSA-N 0 0 276.426 3.932 50 0 CHAARN Nc1ccccc1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000039643323 174171830 /nfs/dbraw/zinc/17/18/30/174171830.db2.gz WJDPHVJEFVAKMT-UHFFFAOYSA-N 0 0 265.234 3.519 50 0 CHAARN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(F)cc1Cl ZINC000039995070 174182065 /nfs/dbraw/zinc/18/20/65/174182065.db2.gz ZTMNHGLLRKJDFB-QWRGUYRKSA-N 0 0 299.773 3.647 50 0 CHAARN C[C@@H](Sc1nncn1C1CC1)c1ccc(F)cc1 ZINC000040038996 174184413 /nfs/dbraw/zinc/18/44/13/174184413.db2.gz MGCNWSLDDIWVNF-SECBINFHSA-N 0 0 263.341 3.605 50 0 CHAARN O=C(NCCC1CCCC1)c1cccc2ncccc21 ZINC000040060405 174185493 /nfs/dbraw/zinc/18/54/93/174185493.db2.gz DDFKJHAGXINFBP-UHFFFAOYSA-N 0 0 268.360 3.545 50 0 CHAARN Cc1cccc(/C=C/C(=O)N(Cc2ccco2)C2CC2)c1 ZINC000040060353 174185607 /nfs/dbraw/zinc/18/56/07/174185607.db2.gz OKSSNHYEUAYEHM-JXMROGBWSA-N 0 0 281.355 3.792 50 0 CHAARN COc1ccccc1NC(=O)N(CCC(C)C)C1CC1 ZINC000040067746 174186115 /nfs/dbraw/zinc/18/61/15/174186115.db2.gz PKOZYTDMNQAFPM-UHFFFAOYSA-N 0 0 276.380 3.738 50 0 CHAARN C[C@H]1CCC[C@@H](NC(=O)CSCc2cccs2)C1 ZINC000040069684 174186419 /nfs/dbraw/zinc/18/64/19/174186419.db2.gz CRYNPAGUYNLJCD-NWDGAFQWSA-N 0 0 283.462 3.676 50 0 CHAARN c1cc2c(ncnc2N(Cc2ccccc2)C2CC2)s1 ZINC000040067592 174186523 /nfs/dbraw/zinc/18/65/23/174186523.db2.gz FQNZFTSQPJVXSZ-UHFFFAOYSA-N 0 0 281.384 3.860 50 0 CHAARN C[C@@]1(C(=O)NCCC2CCCCC2)CC1(Cl)Cl ZINC000040074539 174187581 /nfs/dbraw/zinc/18/75/81/174187581.db2.gz JEMKQULHUNZPJL-LBPRGKRZSA-N 0 0 278.223 3.657 50 0 CHAARN O=C(Nc1ncc(-c2ccccc2)s1)C1CCCC1 ZINC000040087537 174187967 /nfs/dbraw/zinc/18/79/67/174187967.db2.gz VHZXVRLMWTVACN-UHFFFAOYSA-N 0 0 272.373 3.939 50 0 CHAARN CCOc1ccccc1NC(=O)NCCc1cccs1 ZINC000040098766 174190626 /nfs/dbraw/zinc/19/06/26/174190626.db2.gz RXLLNOGIQNAPPL-UHFFFAOYSA-N 0 0 290.388 3.511 50 0 CHAARN Cc1cc(F)ccc1NC(=O)NCCc1ccccc1F ZINC000040103547 174190728 /nfs/dbraw/zinc/19/07/28/174190728.db2.gz DVGDQZUTMAWKND-UHFFFAOYSA-N 0 0 290.313 3.637 50 0 CHAARN O=C(NCc1ccc(F)cc1)Nc1cccc2ncccc21 ZINC000040103574 174190745 /nfs/dbraw/zinc/19/07/45/174190745.db2.gz MIKWYJLCSPXDBT-UHFFFAOYSA-N 0 0 295.317 3.696 50 0 CHAARN CC(C)[C@H](C)NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000040097894 174190819 /nfs/dbraw/zinc/19/08/19/174190819.db2.gz UQBFNNBLWDKLHX-VIFPVBQESA-N 0 0 274.286 3.871 50 0 CHAARN Cc1cc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)sc1C ZINC000040108233 174191917 /nfs/dbraw/zinc/19/19/17/174191917.db2.gz QBRMVSMLNQTGQO-SMDDNHRTSA-N 0 0 295.448 3.690 50 0 CHAARN CCCCOc1cccc(CNC(=O)c2ccsc2)c1 ZINC000040122178 174193389 /nfs/dbraw/zinc/19/33/89/174193389.db2.gz ICUAWGNXMRDBRU-UHFFFAOYSA-N 0 0 289.400 3.857 50 0 CHAARN CC(C)(C)c1ccc(NC(=O)c2cccc3c2OCO3)cc1 ZINC000040150745 174195095 /nfs/dbraw/zinc/19/50/95/174195095.db2.gz AWOXXDADTFTKES-UHFFFAOYSA-N 0 0 297.354 3.965 50 0 CHAARN CCCn1c(CNCc2cccc(F)c2)nc2ccccc21 ZINC000040154926 174195129 /nfs/dbraw/zinc/19/51/29/174195129.db2.gz OJRDVDVYFIDHPD-UHFFFAOYSA-N 0 0 297.377 3.875 50 0 CHAARN CCNC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000040156500 174195162 /nfs/dbraw/zinc/19/51/62/174195162.db2.gz IZQOCONKQCGTSX-UHFFFAOYSA-N 0 0 289.206 3.933 50 0 CHAARN C[C@H]1CCCC[C@@H]1NC(=O)CCCc1cccs1 ZINC000040161050 174195933 /nfs/dbraw/zinc/19/59/33/174195933.db2.gz YOMWNDNDIYKTRJ-JSGCOSHPSA-N 0 0 265.422 3.766 50 0 CHAARN CN(Cc1ccccc1Cl)C(=O)CCc1cccs1 ZINC000040161959 174196073 /nfs/dbraw/zinc/19/60/73/174196073.db2.gz YLIRAOBHZNPZLM-UHFFFAOYSA-N 0 0 293.819 3.993 50 0 CHAARN O=C(CCCc1cccs1)NC1CCCCC1 ZINC000040160756 174196553 /nfs/dbraw/zinc/19/65/53/174196553.db2.gz MRQDALWXGSOWAM-UHFFFAOYSA-N 0 0 251.395 3.520 50 0 CHAARN Cn1ccc2cc(C(=O)Nc3ccc4cc[nH]c4c3)ccc21 ZINC000040309000 174229870 /nfs/dbraw/zinc/22/98/70/174229870.db2.gz VMGMLYBYLNBXBB-UHFFFAOYSA-N 0 0 289.338 3.912 50 0 biogenic CHAARN O=C1Nc2ccccc2/C1=C/c1cccc2[nH]ccc21 ZINC000040309790 174230069 /nfs/dbraw/zinc/23/00/69/174230069.db2.gz VNYHSSAEVGASDF-UVTDQMKNSA-N 0 0 260.296 3.661 50 0 biogenic CHAARN CCc1nc(Cl)c(N)c(Oc2ccc3c(c2)CCC3)n1 ZINC000040428549 174258995 /nfs/dbraw/zinc/25/89/95/174258995.db2.gz RLPNVHDOZLMTKC-UHFFFAOYSA-N 0 0 289.766 3.556 50 0 CHAARN CC(C)(C)OC(=O)N1CCC(Sc2ccncc2)CC1 ZINC000040442681 174263018 /nfs/dbraw/zinc/26/30/18/174263018.db2.gz DBHNVBJYBWAHGX-UHFFFAOYSA-N 0 0 294.420 3.573 50 0 CHAARN C[C@@H](OCc1ccccc1)C(=O)c1ccc(F)cc1F ZINC000040448137 174265482 /nfs/dbraw/zinc/26/54/82/174265482.db2.gz XBLJRJZCBFBRNA-LLVKDONJSA-N 0 0 276.282 3.753 50 0 CHAARN Clc1cccnc1SCc1nc(-c2ccco2)no1 ZINC000040494174 174293153 /nfs/dbraw/zinc/29/31/53/174293153.db2.gz KUNRFRNXPBTNON-UHFFFAOYSA-N 0 0 293.735 3.670 50 0 CHAARN COCc1ccccc1NC(=O)N(C)C1CCCCC1 ZINC000040527948 174315144 /nfs/dbraw/zinc/31/51/44/174315144.db2.gz FEPHPRNOJPELTO-UHFFFAOYSA-N 0 0 276.380 3.629 50 0 CHAARN CCOC(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC000043224398 174985092 /nfs/dbraw/zinc/98/50/92/174985092.db2.gz OEECKPAOETZACY-UHFFFAOYSA-N 0 0 295.260 3.944 50 0 CHAARN Cc1ccc(F)cc1NC(=O)N(CC(C)C)C1CC1 ZINC000043276688 174996502 /nfs/dbraw/zinc/99/65/02/174996502.db2.gz PHIRFADRFOIPAI-UHFFFAOYSA-N 0 0 264.344 3.786 50 0 CHAARN COc1cccc(C[C@H]2CCCc3ccccc3[C@H]2O)c1 ZINC000043659848 175086021 /nfs/dbraw/zinc/08/60/21/175086021.db2.gz IXZRDQTZBDQQAZ-APWZRJJASA-N 0 0 282.383 3.924 50 0 CHAARN Cc1ccc(C)c(NCc2nc(-c3ccco3)no2)c1 ZINC000044069506 175140583 /nfs/dbraw/zinc/14/05/83/175140583.db2.gz NGSQJFQUJBZEAU-UHFFFAOYSA-N 0 0 269.304 3.559 50 0 CHAARN CCCSCCC(=O)N(C)Cc1ccccc1Cl ZINC000044123367 175143329 /nfs/dbraw/zinc/14/33/29/175143329.db2.gz WVKKHZNDRAABHD-UHFFFAOYSA-N 0 0 285.840 3.832 50 0 CHAARN C[C@@H](Cc1ccco1)NC(=O)CCSc1ccccc1 ZINC000044443899 175176158 /nfs/dbraw/zinc/17/61/58/175176158.db2.gz WPFFAYJBQJBHKK-ZDUSSCGKSA-N 0 0 289.400 3.509 50 0 CHAARN O=C(NCc1cccs1)N(Cc1ccsc1)C1CC1 ZINC000044446751 175176260 /nfs/dbraw/zinc/17/62/60/175176260.db2.gz QVUJTQOTIGRYMP-UHFFFAOYSA-N 0 0 292.429 3.684 50 0 CHAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CC(C)C ZINC000044685447 175231586 /nfs/dbraw/zinc/23/15/86/175231586.db2.gz IEAPBHXOTLXGMX-CYBMUJFWSA-N 0 0 263.381 3.764 50 0 CHAARN O=C(NCc1cc(F)cc(F)c1)Nc1ccccc1Cl ZINC000044845532 175264515 /nfs/dbraw/zinc/26/45/15/175264515.db2.gz VDQBGMFWCLWGDM-UHFFFAOYSA-N 0 0 296.704 3.940 50 0 CHAARN c1oc(-c2ccccc2)nc1CSC1=NCCS1 ZINC000044865710 175267620 /nfs/dbraw/zinc/26/76/20/175267620.db2.gz XLJVUQAQNGTFFI-UHFFFAOYSA-N 0 0 276.386 3.678 50 0 CHAARN COc1ccc(C(=O)c2ccc(SC)cc2)cc1 ZINC000044882560 175270142 /nfs/dbraw/zinc/27/01/42/175270142.db2.gz MBBNMEDIJUBJMA-UHFFFAOYSA-N 0 0 258.342 3.648 50 0 CHAARN Cc1ccnc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000045028616 175293722 /nfs/dbraw/zinc/29/37/22/175293722.db2.gz DCZJMLLWHTXHAZ-UHFFFAOYSA-N 0 0 253.345 3.919 50 0 CHAARN Cc1cccnc1C(=O)c1c(Cl)cccc1Cl ZINC000045028697 175293832 /nfs/dbraw/zinc/29/38/32/175293832.db2.gz HVYHVAHFXWMPBZ-UHFFFAOYSA-N 0 0 266.127 3.928 50 0 CHAARN CCCOc1ccc(C(=O)c2ccc(Cl)nc2)cc1 ZINC000045038797 175294842 /nfs/dbraw/zinc/29/48/42/175294842.db2.gz DSOVWFCLGQPSMP-UHFFFAOYSA-N 0 0 275.735 3.755 50 0 CHAARN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NC1CC1 ZINC000045221844 175330661 /nfs/dbraw/zinc/33/06/61/175330661.db2.gz BQIIBBFIRLBXNG-UHFFFAOYSA-N 0 0 275.735 3.801 50 0 CHAARN CN(C(=O)Cc1ccsc1)[C@H]1CCCc2ccccc21 ZINC000045294111 175354463 /nfs/dbraw/zinc/35/44/63/175354463.db2.gz FCGPTAXTVDSJHD-INIZCTEOSA-N 0 0 285.412 3.827 50 0 CHAARN O=Cc1c[nH]nc1-c1ccc(C2CCCCC2)cc1 ZINC000045796088 175383935 /nfs/dbraw/zinc/38/39/35/175383935.db2.gz TXXUBVOBIDPWCU-UHFFFAOYSA-N 0 0 254.333 3.937 50 0 CHAARN Cc1ccc(OCC(=O)Nc2c(F)cccc2F)c(C)c1 ZINC000045966089 175389605 /nfs/dbraw/zinc/38/96/05/175389605.db2.gz UWQSAILWVQFPMT-UHFFFAOYSA-N 0 0 291.297 3.599 50 0 CHAARN CC(C)Oc1ccc(NC(=O)c2ccsc2)cc1 ZINC000048314773 175426634 /nfs/dbraw/zinc/42/66/34/175426634.db2.gz YFOOMLFCONPKHN-UHFFFAOYSA-N 0 0 261.346 3.788 50 0 CHAARN Cc1ccc(CNC(=O)C[C@H](C)c2ccccc2)s1 ZINC000048331710 175428025 /nfs/dbraw/zinc/42/80/25/175428025.db2.gz UZXMKGMKCXWKNL-LBPRGKRZSA-N 0 0 273.401 3.867 50 0 CHAARN CCCCOC(=O)CSc1nc(C)c(C)n1CCCC ZINC000048422125 175433577 /nfs/dbraw/zinc/43/35/77/175433577.db2.gz BKRPWXYHONEWGC-UHFFFAOYSA-N 0 0 298.452 3.735 50 0 CHAARN c1csc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)c1 ZINC000049422290 175476597 /nfs/dbraw/zinc/47/65/97/175476597.db2.gz QLSHEGAQPKEZAG-UHFFFAOYSA-N 0 0 294.339 3.855 50 0 CHAARN CCOC(=O)/C(=C/c1cccs1)c1nc2ccccc2[nH]1 ZINC000050985579 175521895 /nfs/dbraw/zinc/52/18/95/175521895.db2.gz BAXFJTBNHNONAO-ZRDIBKRKSA-N 0 0 298.367 3.728 50 0 CHAARN Cc1cc(C)c(C)c(C(=O)N[C@@H](C)Cc2ccncc2)c1C ZINC000055310581 175576002 /nfs/dbraw/zinc/57/60/02/175576002.db2.gz BPMLBEWBKFXYBG-AWEZNQCLSA-N 0 0 296.414 3.676 50 0 CHAARN CCCCN(Cc1ccc(C)s1)C(=O)[C@H]1CCCCO1 ZINC000055371315 175577134 /nfs/dbraw/zinc/57/71/34/175577134.db2.gz FPUMJYHCNYNTDH-OAHLLOKOSA-N 0 0 295.448 3.754 50 0 CHAARN CCCCN(Cc1ccc(C)s1)C(=O)[C@@H]1CCCCO1 ZINC000055371312 175577176 /nfs/dbraw/zinc/57/71/76/175577176.db2.gz FPUMJYHCNYNTDH-HNNXBMFYSA-N 0 0 295.448 3.754 50 0 CHAARN FC(F)(F)Oc1ccc(-c2noc(-c3ccc[nH]3)n2)cc1 ZINC000057351818 175593652 /nfs/dbraw/zinc/59/36/52/175593652.db2.gz WMCVAEJPBWXFFM-UHFFFAOYSA-N 0 0 295.220 3.630 50 0 CHAARN C[C@H](S[C@@H]1CCCc2ccccc21)C(=O)N1CCCC1 ZINC000058017914 175605888 /nfs/dbraw/zinc/60/58/88/175605888.db2.gz LAQSESNANADXLH-XJKSGUPXSA-N 0 0 289.444 3.808 50 0 CHAARN O=C(/C=C/c1ccco1)N1CCCCc2ccccc21 ZINC000058391922 175622574 /nfs/dbraw/zinc/62/25/74/175622574.db2.gz XBVICOBWHQQQHJ-ZHACJKMWSA-N 0 0 267.328 3.662 50 0 CHAARN Cc1cc(NC(=O)CC(C2CC2)C2CC2)nc(C(C)C)n1 ZINC000060302469 175636802 /nfs/dbraw/zinc/63/68/02/175636802.db2.gz JASQOQRQEBAARB-UHFFFAOYSA-N 0 0 287.407 3.673 50 0 CHAARN C[C@H](CCNC(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000060338229 175637174 /nfs/dbraw/zinc/63/71/74/175637174.db2.gz WFGBLRCQXQABCJ-GFCCVEGCSA-N 0 0 289.325 3.888 50 0 CHAARN CCCN(C)C(=O)c1c2ccccc2nc2c1CCCC2 ZINC000064553306 175694743 /nfs/dbraw/zinc/69/47/43/175694743.db2.gz WPZZDMWMGJZBOC-UHFFFAOYSA-N 0 0 282.387 3.596 50 0 CHAARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2ccccc2)on1 ZINC000064555564 175695330 /nfs/dbraw/zinc/69/53/30/175695330.db2.gz QMSSETWYBXMGDJ-HNNXBMFYSA-N 0 0 284.359 3.775 50 0 CHAARN CC(C)(C)NC(=O)c1ccc2nc(-c3ccccc3)cn2c1 ZINC000065229876 175704965 /nfs/dbraw/zinc/70/49/65/175704965.db2.gz WXHAMNMNMMZJCJ-UHFFFAOYSA-N 0 0 293.370 3.530 50 0 CHAARN CSc1ccc(CN2CCn3cccc3[C@@H]2C)cc1 ZINC000065529955 175747677 /nfs/dbraw/zinc/74/76/77/175747677.db2.gz KBJDNSROGWWJBC-ZDUSSCGKSA-N 0 0 272.417 3.787 50 0 CHAARN Cc1nc(-c2ccccc2)sc1CNC(=O)C1CCC1 ZINC000066554037 175761177 /nfs/dbraw/zinc/76/11/77/175761177.db2.gz PKMZAZRAXUNYCQ-UHFFFAOYSA-N 0 0 286.400 3.535 50 0 CHAARN CCn1c2ccccc2nc1[C@@H](C)NC(=O)/C=C(/C)C1CC1 ZINC000068174877 175807675 /nfs/dbraw/zinc/80/76/75/175807675.db2.gz UPGPOAJLPIJCGA-YLGBQOPLSA-N 0 0 297.402 3.590 50 0 CHAARN CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000069451751 175830595 /nfs/dbraw/zinc/83/05/95/175830595.db2.gz MCOPFALSNXBZAU-XJKSGUPXSA-N 0 0 299.418 3.766 50 0 CHAARN O=C(NC[C@@H](O)C1CCCCC1)c1cccc2ccccc21 ZINC000069496017 175835117 /nfs/dbraw/zinc/83/51/17/175835117.db2.gz JVEDAFLPQZWZGG-GOSISDBHSA-N 0 0 297.398 3.511 50 0 CHAARN CCSc1nnc(S[C@@H](C)c2ccncc2)s1 ZINC000069740193 175850950 /nfs/dbraw/zinc/85/09/50/175850950.db2.gz LJJFSSMFMGXFRV-QMMMGPOBSA-N 0 0 283.447 3.898 50 0 CHAARN O=C(N[C@H]1CCc2ccccc21)c1ccc2ncccc2c1 ZINC000071121684 176035198 /nfs/dbraw/zinc/03/51/98/176035198.db2.gz SNBUJHWITBTJGH-SFHVURJKSA-N 0 0 288.350 3.652 50 0 CHAARN CCCCC(=O)Nc1ccc2[nH]c(-c3ccncc3)nc2c1 ZINC000071287595 176110032 /nfs/dbraw/zinc/11/00/32/176110032.db2.gz YCTKGPJYXJLLIF-UHFFFAOYSA-N 0 0 294.358 3.754 50 0 CHAARN Fc1ccc(-c2cnn3c2nccc3-c2cccnc2)cc1 ZINC000071376475 176141288 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567195216 /nfs/dbraw/zinc/19/52/16/567195216.db2.gz AJFJKCYTLANBIX-CHWSQXEVSA-N 0 0 290.725 3.616 50 0 CHAARN O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)C1CC1 ZINC000067067759 567195436 /nfs/dbraw/zinc/19/54/36/567195436.db2.gz PBJPECZSFNEIID-CYBMUJFWSA-N 0 0 298.411 3.764 50 0 CHAARN CCn1ccnc1SCc1ncc(-c2cccs2)o1 ZINC000067429106 567196533 /nfs/dbraw/zinc/19/65/33/567196533.db2.gz VYQZAPSDVFIBSG-UHFFFAOYSA-N 0 0 291.401 3.912 50 0 CHAARN CC1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000008599731 567197566 /nfs/dbraw/zinc/19/75/66/567197566.db2.gz OPNQCIZRXXBQGU-UHFFFAOYSA-N 0 0 295.308 3.885 50 0 CHAARN COC(=O)c1ccc2[nH]c(-c3cccc(C)c3C)nc2c1 ZINC000067867777 567197768 /nfs/dbraw/zinc/19/77/68/567197768.db2.gz OQNAOAOQVNNOCJ-UHFFFAOYSA-N 0 0 280.327 3.633 50 0 CHAARN O=C(c1ccc(F)cc1F)N1CCCc2ccc(F)cc21 ZINC000040117159 567198676 /nfs/dbraw/zinc/19/86/76/567198676.db2.gz TXEQVCQGRHLYQD-UHFFFAOYSA-N 0 0 291.272 3.697 50 0 CHAARN OCc1ccc(Cl)c(NCc2cccc(F)c2)c1 ZINC000068923548 567199193 /nfs/dbraw/zinc/19/91/93/567199193.db2.gz QFMSRHVCZFVQBQ-UHFFFAOYSA-N 0 0 265.715 3.584 50 0 CHAARN Cn1ccc(CS[C@H]2CCCc3ccccc32)cc1=O ZINC000069511459 567200958 /nfs/dbraw/zinc/20/09/58/567200958.db2.gz SBURLLGMSSSBMR-INIZCTEOSA-N 0 0 285.412 3.696 50 0 CHAARN Cc1ccccc1C(=O)NCCc1csc(C(C)C)n1 ZINC000069559131 567202007 /nfs/dbraw/zinc/20/20/07/567202007.db2.gz UYQUEODZLYKYPM-UHFFFAOYSA-N 0 0 288.416 3.547 50 0 CHAARN Cc1ccc(NC(=O)N[C@@H](C)c2cccnc2)cc1Cl ZINC000010262226 567204402 /nfs/dbraw/zinc/20/44/02/567204402.db2.gz VISBAMWQEAUNFT-NSHDSACASA-N 0 0 289.766 3.926 50 0 CHAARN Cc1c/c(=N/c2cccc(Cl)c2)n2ccsc2n1 ZINC000010386615 567204718 /nfs/dbraw/zinc/20/47/18/567204718.db2.gz LHEAWWIDLXRKCR-VBKFSLOCSA-N 0 0 275.764 3.590 50 0 CHAARN O=C(NCC1(c2ccccc2)CCC1)c1ccc(F)cc1 ZINC000010221288 567205552 /nfs/dbraw/zinc/20/55/52/567205552.db2.gz DOSJNHOCZGODPI-UHFFFAOYSA-N 0 0 283.346 3.677 50 0 CHAARN CSc1ccc(NC(=O)CCOc2ccccc2)cc1 ZINC000010510835 567207356 /nfs/dbraw/zinc/20/73/56/567207356.db2.gz OGRVNJVBHRLQGB-UHFFFAOYSA-N 0 0 287.384 3.816 50 0 CHAARN Cc1cccc(C(=O)N2CCCSc3ccccc32)n1 ZINC000024750345 567213093 /nfs/dbraw/zinc/21/30/93/567213093.db2.gz PAJLRCTYGOHPEQ-UHFFFAOYSA-N 0 0 284.384 3.533 50 0 CHAARN O=C([C@H]1CC=CCC1)N1CC=C(c2ccccc2)CC1 ZINC000032994438 567214882 /nfs/dbraw/zinc/21/48/82/567214882.db2.gz DBPSWUGXBGWSJF-KRWDZBQOSA-N 0 0 267.372 3.659 50 0 CHAARN Cc1nc(NC(=O)N2CC=C(c3ccccc3)CC2)oc1C ZINC000065752072 567219562 /nfs/dbraw/zinc/21/95/62/567219562.db2.gz WLPKNWVHAXRPNJ-UHFFFAOYSA-N 0 0 297.358 3.613 50 0 CHAARN COc1cscc1C(=O)Nc1ccc(Cl)cc1 ZINC000000095963 567818131 /nfs/dbraw/zinc/81/81/31/567818131.db2.gz IGMCBPHJJHXDOE-UHFFFAOYSA-N 0 0 267.737 3.662 50 0 CHAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(O)cc2)cc1 ZINC000000012482 567816482 /nfs/dbraw/zinc/81/64/82/567816482.db2.gz NFTXIJBCWDLMMC-UHFFFAOYSA-N 0 0 269.344 3.942 50 0 CHAARN Cc1cc(C)cc(NC(=O)[C@H](C)Oc2ccccc2)c1 ZINC000000030447 567816542 /nfs/dbraw/zinc/81/65/42/567816542.db2.gz SQGGPWGUQQMWOZ-AWEZNQCLSA-N 0 0 269.344 3.709 50 0 CHAARN CCCC(C(N)=O)=C1NC2(CCCCC2)Cc2ccccc21 ZINC000000032948 567816780 /nfs/dbraw/zinc/81/67/80/567816780.db2.gz QMCLDAYMXJVDHJ-INIZCTEOSA-N 0 0 298.430 3.636 50 0 CHAARN Cc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000000036596 567816808 /nfs/dbraw/zinc/81/68/08/567816808.db2.gz FQSVUFOEUWDJPO-UHFFFAOYSA-N 0 0 297.379 3.949 50 0 CHAARN COc1ccc2occ(C(=O)c3ccccc3)c2c1 ZINC000000036640 567816810 /nfs/dbraw/zinc/81/68/10/567816810.db2.gz WBIYZPQWXHJJEE-UHFFFAOYSA-N 0 0 252.269 3.672 50 0 biogenic CHAARN CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000000046829 567816865 /nfs/dbraw/zinc/81/68/65/567816865.db2.gz DDLYRCPPTSQMIH-AWEZNQCLSA-N 0 0 283.327 3.548 50 0 CHAARN CCOc1ccc(C2N(C)c3ccccc3N2C)cc1 ZINC000000044034 567816905 /nfs/dbraw/zinc/81/69/05/567816905.db2.gz NAUNGXOLCAXCQZ-UHFFFAOYSA-N 0 0 268.360 3.670 50 0 CHAARN COc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000000054855 567817121 /nfs/dbraw/zinc/81/71/21/567817121.db2.gz VDCFAQLSVZRGAM-UHFFFAOYSA-N 0 0 261.708 3.601 50 0 CHAARN CCOC(OCC)c1ccc(Br)cc1 ZINC000000057110 567817156 /nfs/dbraw/zinc/81/71/56/567817156.db2.gz BFSNEBVTOODGHZ-UHFFFAOYSA-N 0 0 259.143 3.521 50 0 CHAARN CC(=O)N1c2ccccc2[C@]2(C)[C@@H](C2(Cl)Cl)C1(C)C ZINC000000055095 567817228 /nfs/dbraw/zinc/81/72/28/567817228.db2.gz SLIIAUTXRQDXIK-GXTWGEPZSA-N 0 0 298.213 3.893 50 0 CHAARN CC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000000059331 567817305 /nfs/dbraw/zinc/81/73/05/567817305.db2.gz PWZMUBDKDHBBPH-UHFFFAOYSA-N 0 0 273.719 3.795 50 0 CHAARN CC(C)N(C(=O)/C=C/c1ccccc1Cl)C(C)C ZINC000000064056 567817404 /nfs/dbraw/zinc/81/74/04/567817404.db2.gz ZEOHAWMPTJVIQX-MDZDMXLPSA-N 0 0 265.784 3.999 50 0 CHAARN COC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000000064780 567817405 /nfs/dbraw/zinc/81/74/05/567817405.db2.gz ZVRUOIZSXBNGBH-UHFFFAOYSA-N 0 0 261.129 3.995 50 0 CHAARN CC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000000064796 567817480 /nfs/dbraw/zinc/81/74/80/567817480.db2.gz UWNHDKUEVXIFAL-UHFFFAOYSA-N 0 0 274.703 3.762 50 0 CHAARN COc1c(Cl)cccc1-c1cn2ccc(C)cc2n1 ZINC000000073826 567817516 /nfs/dbraw/zinc/81/75/16/567817516.db2.gz BMWJOZMTBDHSTF-UHFFFAOYSA-N 0 0 272.735 3.972 50 0 CHAARN CCOC(=O)CSc1nc2cc(Cl)ccc2s1 ZINC000000084294 567817916 /nfs/dbraw/zinc/81/79/16/567817916.db2.gz PHGHIJNYHXSJMI-UHFFFAOYSA-N 0 0 287.793 3.605 50 0 CHAARN CCc1ccc(NC(=O)COc2cccc(Cl)c2)cc1 ZINC000000094085 567817942 /nfs/dbraw/zinc/81/79/42/567817942.db2.gz WWPOOHSGKZSCAV-UHFFFAOYSA-N 0 0 289.762 3.920 50 0 CHAARN Clc1ccc(I)cc1Cl ZINC000000091479 567818098 /nfs/dbraw/zinc/81/80/98/567818098.db2.gz NADPFZNWCQIJJW-UHFFFAOYSA-N 0 0 272.900 3.598 50 0 CHAARN Cc1cccc(-c2nc3cc(Cl)ccc3c(=O)o2)c1 ZINC000000089125 567818117 /nfs/dbraw/zinc/81/81/17/567818117.db2.gz XWVVKQUPUSOTAM-UHFFFAOYSA-N 0 0 271.703 3.817 50 0 CHAARN C[C@@H]1CCc2nc3sc4c(c3c(N)c2C1)CCCC4 ZINC000000099888 567818319 /nfs/dbraw/zinc/81/83/19/567818319.db2.gz 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0 0 292.118 3.808 50 0 CHAARN C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000000126138 567819038 /nfs/dbraw/zinc/81/90/38/567819038.db2.gz PTFMGAMWYMRCPQ-LLVKDONJSA-N 0 0 259.736 3.831 50 0 CHAARN O=C(Sc1c(Cl)cccc1Cl)N1CCOCC1 ZINC000000127549 567819056 /nfs/dbraw/zinc/81/90/56/567819056.db2.gz FDMMAJRKUHZFPD-UHFFFAOYSA-N 0 0 292.187 3.538 50 0 CHAARN Brc1csc(C2SCCS2)c1 ZINC000000124725 567819062 /nfs/dbraw/zinc/81/90/62/567819062.db2.gz LJPLTFLPPYPBAF-UHFFFAOYSA-N 0 0 267.238 3.989 50 0 CHAARN O=C(COc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000000123733 567819063 /nfs/dbraw/zinc/81/90/63/567819063.db2.gz QROGXMWDYQLPTA-UHFFFAOYSA-N 0 0 295.260 3.723 50 0 CHAARN CC(=O)c1csc(COc2ccccc2Cl)n1 ZINC000000122781 567819067 /nfs/dbraw/zinc/81/90/67/567819067.db2.gz LXUBWCNCTWHIBQ-UHFFFAOYSA-N 0 0 267.737 3.578 50 0 CHAARN NC(=S)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000000121876 567819226 /nfs/dbraw/zinc/81/92/26/567819226.db2.gz FGJWEIQVLMFFOC-UHFFFAOYSA-N 0 0 298.289 3.527 50 0 CHAARN Cc1cc(Cl)ccc1NC(=O)c1ccc(O)cc1 ZINC000000131815 567819261 /nfs/dbraw/zinc/81/92/61/567819261.db2.gz CUFGLLCXIHPGKQ-UHFFFAOYSA-N 0 0 261.708 3.606 50 0 CHAARN O=C(Nc1ccccc1F)N1CCC[C@H]1c1cccnc1 ZINC000000129698 567819264 /nfs/dbraw/zinc/81/92/64/567819264.db2.gz YJYZQCROADTQPE-HNNXBMFYSA-N 0 0 285.322 3.590 50 0 CHAARN Cc1cc2c(cc1C)[C@@H](c1ccccc1F)CC(=O)N2 ZINC000000129558 567819369 /nfs/dbraw/zinc/81/93/69/567819369.db2.gz XYUGGYBKXXSLTP-CYBMUJFWSA-N 0 0 269.319 3.917 50 0 CHAARN Cc1ccccc1C(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000000129490 567819437 /nfs/dbraw/zinc/81/94/37/567819437.db2.gz YDEAUIBIMVHGET-UHFFFAOYSA-N 0 0 294.306 3.629 50 0 CHAARN Cc1c(/C=C2\N=C(C)OC2=O)sc2ccccc12 ZINC000000128114 567819492 /nfs/dbraw/zinc/81/94/92/567819492.db2.gz UZPCVUHTPQGINM-XFFZJAGNSA-N 0 0 257.314 3.526 50 0 CHAARN Cc1ccc(-c2cc(O)cc3sc(=O)oc32)cc1 ZINC000000137435 567819697 /nfs/dbraw/zinc/81/96/97/567819697.db2.gz RUCVHWRDFXVMMU-UHFFFAOYSA-N 0 0 258.298 3.536 50 0 biogenic CHAARN 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Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC(C)(C)C ZINC000011058961 567884297 /nfs/dbraw/zinc/88/42/97/567884297.db2.gz FZQZVCPZJRKMPZ-UHFFFAOYSA-N 0 0 285.391 3.864 50 0 CHAARN Cc1nn(C)c(C)c1C(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000029427663 567884434 /nfs/dbraw/zinc/88/44/34/567884434.db2.gz PMPHFYGYPCHSAR-GFCCVEGCSA-N 0 0 299.418 3.651 50 0 CHAARN C[C@@H](NC(=O)c1ccc[nH]c1=S)c1ccc(Cl)s1 ZINC000030015782 567884562 /nfs/dbraw/zinc/88/45/62/567884562.db2.gz VKPSZJFWBMMZPU-SSDOTTSWSA-N 0 0 298.820 3.576 50 0 CHAARN Cc1csc(SCC(=O)c2ccc(F)cc2)n1 ZINC000030951391 567884749 /nfs/dbraw/zinc/88/47/49/567884749.db2.gz AZXWMGUKELCXMQ-UHFFFAOYSA-N 0 0 267.350 3.566 50 0 CHAARN FC(F)(F)c1ccccc1[C@H]1CC(Br)=NO1 ZINC000030678681 567884935 /nfs/dbraw/zinc/88/49/35/567884935.db2.gz DDFCJTGGZWNOMD-MRVPVSSYSA-N 0 0 294.070 3.875 50 0 CHAARN Cc1nc(Cl)cc(N[C@@H]2C[C@H]2c2cccc(F)c2F)n1 ZINC000072302136 567885036 /nfs/dbraw/zinc/88/50/36/567885036.db2.gz FEBJQVFOQIYSSB-GXSJLCMTSA-N 0 0 295.720 3.685 50 0 CHAARN COc1ccccc1-c1cc(N)n(-c2c(C)cccc2C)n1 ZINC000032916909 567886220 /nfs/dbraw/zinc/88/62/20/567886220.db2.gz SYTGMQNAUSQPOF-UHFFFAOYSA-N 0 0 293.370 3.747 50 0 CHAARN COc1cc2c(cc1NC(=O)c1ccccc1F)CCCC2 ZINC000000318681 567887359 /nfs/dbraw/zinc/88/73/59/567887359.db2.gz UGGGIDZECDBKKY-UHFFFAOYSA-N 0 0 299.345 3.965 50 0 CHAARN CN1c2ccc(Cl)cc2[C@@H](c2ccccc2)NC1=O ZINC000000228189 567887554 /nfs/dbraw/zinc/88/75/54/567887554.db2.gz RUWFNDLURNRNAE-CQSZACIVSA-N 0 0 272.735 3.589 50 0 CHAARN CC(=O)c1ccc(NCCC(=O)c2ccccc2)cc1 ZINC000000446479 567888045 /nfs/dbraw/zinc/88/80/45/567888045.db2.gz MIVYAZFQSZOXAK-UHFFFAOYSA-N 0 0 267.328 3.574 50 0 CHAARN Cc1ccc(C(C)C)c(OCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000022309680 567888432 /nfs/dbraw/zinc/88/84/32/567888432.db2.gz NRDODCHSYBRYQY-HZPDHXFCSA-N 0 0 291.435 3.606 50 0 CHAARN Clc1ccc(-c2cnn(-c3ccccc3)n2)cc1 ZINC000034615476 567888667 /nfs/dbraw/zinc/88/86/67/567888667.db2.gz QXLQNIMTZQLGQK-UHFFFAOYSA-N 0 0 255.708 3.588 50 0 CHAARN COc1ccc2c(C=O)cn(Cc3ccccc3)c2c1 ZINC000034925337 567888974 /nfs/dbraw/zinc/88/89/74/567888974.db2.gz TVYIIRJYNWCYPV-UHFFFAOYSA-N 0 0 265.312 3.511 50 0 CHAARN C[C@@H]1CCCCN1C(=O)c1ccc(Br)s1 ZINC000032968949 567889169 /nfs/dbraw/zinc/88/91/69/567889169.db2.gz YJYSDSMLQFPZFS-MRVPVSSYSA-N 0 0 288.210 3.525 50 0 CHAARN CCC(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1C ZINC000036566228 567889431 /nfs/dbraw/zinc/88/94/31/567889431.db2.gz JUSFLHNEKKWAQQ-UHFFFAOYSA-N 0 0 278.352 3.691 50 0 CHAARN O=C(c1ccccc1F)N1CCC[C@H]1c1ccccc1F ZINC000036621029 567889445 /nfs/dbraw/zinc/88/94/45/567889445.db2.gz SCWGBDHKOWQKLR-INIZCTEOSA-N 0 0 287.309 3.942 50 0 CHAARN O=C(Nc1ccccc1)c1cccc(-n2cc[nH]c2=S)c1 ZINC000036378471 567889481 /nfs/dbraw/zinc/88/94/81/567889481.db2.gz YDVGVOCKHNAJPE-UHFFFAOYSA-N 0 0 295.367 3.787 50 0 CHAARN COc1cc(C=O)cc(C23CC4CC(CC(C4)C2)C3)c1O ZINC000041107689 567890901 /nfs/dbraw/zinc/89/09/01/567890901.db2.gz MZXWTRQBWNOFLV-UHFFFAOYSA-N 0 0 286.371 3.681 50 0 CHAARN CCc1nc2sc(C)cc2c(N2CCCCC2)n1 ZINC000041090670 567890925 /nfs/dbraw/zinc/89/09/25/567890925.db2.gz PJBYEUSMJKRBLI-UHFFFAOYSA-N 0 0 261.394 3.552 50 0 CHAARN CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccnc(F)c1 ZINC000041039537 567890926 /nfs/dbraw/zinc/89/09/26/567890926.db2.gz AMPKLIACPHOENE-STQMWFEESA-N 0 0 278.371 3.555 50 0 CHAARN Brc1ccc(N2CCc3ccccc32)nc1 ZINC000042376676 567891211 /nfs/dbraw/zinc/89/12/11/567891211.db2.gz YIZRSWBFBKCFJE-UHFFFAOYSA-N 0 0 275.149 3.538 50 0 CHAARN CCc1cccc(C)c1NC(=O)C(C)(C)Br ZINC000041715021 567891327 /nfs/dbraw/zinc/89/13/27/567891327.db2.gz FRNPHBDQUVGVAW-UHFFFAOYSA-N 0 0 284.197 3.669 50 0 CHAARN C[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000042783531 567891841 /nfs/dbraw/zinc/89/18/41/567891841.db2.gz UNIFKJOYZVBQBP-MRVPVSSYSA-N 0 0 278.705 3.990 50 0 CHAARN Cc1cc([C@H]2CCCN2C(=O)Nc2cc(C)cc(C)c2)no1 ZINC000043274518 567892215 /nfs/dbraw/zinc/89/22/15/567892215.db2.gz KCYOXAPRBMNUBA-MRXNPFEDSA-N 0 0 299.374 3.969 50 0 CHAARN CCOC(=O)CCCC(=O)c1c(C)c(C)cc(C)c1C ZINC000043214443 567892491 /nfs/dbraw/zinc/89/24/91/567892491.db2.gz UCBVYXHZOLLMIW-UHFFFAOYSA-N 0 0 276.376 3.836 50 0 CHAARN O=C(CCCc1c[nH]c2ccccc12)Nc1ccncc1 ZINC000013556567 567892598 /nfs/dbraw/zinc/89/25/98/567892598.db2.gz WKYHEHGKKDLBRU-UHFFFAOYSA-N 0 0 279.343 3.524 50 0 CHAARN Clc1nc2cc(-c3ccccc3)[nH]c2c(Cl)n1 ZINC000049582333 567893600 /nfs/dbraw/zinc/89/36/00/567893600.db2.gz RSYBVSVLBSDACE-UHFFFAOYSA-N 0 0 264.115 3.932 50 0 CHAARN Cc1cccc2nc(CN[C@@H](C)c3ccc(F)cc3)cn21 ZINC000095422248 567894471 /nfs/dbraw/zinc/89/44/71/567894471.db2.gz NKSJJXBPHAEPCF-ZDUSSCGKSA-N 0 0 283.350 3.633 50 0 CHAARN C[C@@H]1CCN(C(=O)C[C@H]2C=CCC2)[C@@H](c2ccco2)C1 ZINC000075389260 567894489 /nfs/dbraw/zinc/89/44/89/567894489.db2.gz GKVDODOCCRFVJS-QLFBSQMISA-N 0 0 273.376 3.936 50 0 CHAARN CCCC[C@@H](CC)CNC(=O)c1c(F)cccc1F ZINC000055527438 567894563 /nfs/dbraw/zinc/89/45/63/567894563.db2.gz HDHBTWHTBUZQQN-LLVKDONJSA-N 0 0 269.335 3.911 50 0 CHAARN CC1(C)C=CN(c2ccccc2C(F)(F)F)C(=S)N1 ZINC000056710472 567894602 /nfs/dbraw/zinc/89/46/02/567894602.db2.gz OCTLZGMVPVEHRJ-UHFFFAOYSA-N 0 0 286.322 3.692 50 0 CHAARN C[S@@](=O)c1cccc(NCc2cccc3cccnc32)c1 ZINC000095428777 567895169 /nfs/dbraw/zinc/89/51/69/567895169.db2.gz IOFCUFZWAMOLHQ-NRFANRHFSA-N 0 0 296.395 3.584 50 0 CHAARN COc1cccc(C[S@@](=O)Cc2ccc(Cl)cc2)c1 ZINC000058132315 567895396 /nfs/dbraw/zinc/89/53/96/567895396.db2.gz VSCOHDPSECLNHT-LJQANCHMSA-N 0 0 294.803 3.798 50 0 CHAARN C[C@H]1CCN(Cc2cscn2)[C@H](c2ccco2)C1 ZINC000076090245 567895398 /nfs/dbraw/zinc/89/53/98/567895398.db2.gz VJKUZCRYJDKHIE-AAEUAGOBSA-N 0 0 262.378 3.709 50 0 CHAARN CC/C=C(/C)C(=O)Nc1ccc(-c2cnc(C)o2)cc1 ZINC000058091823 567895609 /nfs/dbraw/zinc/89/56/09/567895609.db2.gz FGTJUVNUOUWVBC-WZUFQYTHSA-N 0 0 270.332 3.945 50 0 CHAARN c1sc(NCCc2ccccn2)nc1-c1ccccc1 ZINC000058228506 567895939 /nfs/dbraw/zinc/89/59/39/567895939.db2.gz NLGIGGHGVMPPJB-UHFFFAOYSA-N 0 0 281.384 3.860 50 0 CHAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCC3)c2n[nH]cc21 ZINC000058441097 567896069 /nfs/dbraw/zinc/89/60/69/567896069.db2.gz YQQSASWIHCMUDH-UHFFFAOYSA-N 0 0 291.354 3.612 50 0 CHAARN Cc1noc(C)c1NC(=O)c1csc(-c2ccccc2)n1 ZINC000058343267 567896086 /nfs/dbraw/zinc/89/60/86/567896086.db2.gz MWCKUQJANMDXLB-UHFFFAOYSA-N 0 0 299.355 3.667 50 0 CHAARN CN(Cc1ccco1)C(=O)c1cc2c(s1)CCCCC2 ZINC000058873383 567896343 /nfs/dbraw/zinc/89/63/43/567896343.db2.gz UUEMWXRYNHSBPP-UHFFFAOYSA-N 0 0 289.400 3.882 50 0 CHAARN CCc1noc(CN(Cc2cccc(Cl)c2)C(C)C)n1 ZINC000059038131 567896345 /nfs/dbraw/zinc/89/63/45/567896345.db2.gz OVBRHWNDLSTKMW-UHFFFAOYSA-N 0 0 293.798 3.696 50 0 CHAARN Cc1c2cccc(C)c2oc1C(=O)Nc1ccc(F)cn1 ZINC000060380956 567896716 /nfs/dbraw/zinc/89/67/16/567896716.db2.gz SEICDKKHROLBEV-UHFFFAOYSA-N 0 0 284.290 3.836 50 0 CHAARN FC(F)(F)c1cc2[nH]ccc2c(Br)c1 ZINC000014985717 567896832 /nfs/dbraw/zinc/89/68/32/567896832.db2.gz GVQHXKQOACYLJU-UHFFFAOYSA-N 0 0 264.044 3.949 50 0 CHAARN Br/C=C/c1ccc(Br)cc1 ZINC000063390412 567897410 /nfs/dbraw/zinc/89/74/10/567897410.db2.gz 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CHAARN CCc1ccc(-c2nccn2[C@H](C)c2ccco2)nc1 ZINC000072429419 567902399 /nfs/dbraw/zinc/90/23/99/567902399.db2.gz IIJSCAMCRHAUNG-GFCCVEGCSA-N 0 0 267.332 3.710 50 0 CHAARN C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCC[C@@H](C)C1 ZINC000072431419 567902420 /nfs/dbraw/zinc/90/24/20/567902420.db2.gz PTBVAEHGABMZTM-CABCVRRESA-N 0 0 297.398 3.866 50 0 CHAARN CCC(=O)c1sc(Nc2ccccc2CC)nc1N ZINC000033251661 567902422 /nfs/dbraw/zinc/90/24/22/567902422.db2.gz OTPMVYFFVNEHJT-UHFFFAOYSA-N 0 0 275.377 3.624 50 0 CHAARN Cc1cc(C)cc(Nc2nc(N)c(C(=O)C(C)C)s2)c1 ZINC000033251695 567902717 /nfs/dbraw/zinc/90/27/17/567902717.db2.gz XPLNBAIORJZDLC-UHFFFAOYSA-N 0 0 289.404 3.924 50 0 CHAARN CCCCc1n[nH]c2cc(Br)ccc21 ZINC000074937912 567903875 /nfs/dbraw/zinc/90/38/75/567903875.db2.gz YUYWWOCCPQJSDL-UHFFFAOYSA-N 0 0 253.143 3.668 50 0 CHAARN CC(C)CC(=O)N(Cc1ccccc1)c1ccccn1 ZINC000000030644 567904008 /nfs/dbraw/zinc/90/40/08/567904008.db2.gz YDVNGOUWIUKIDI-UHFFFAOYSA-N 0 0 268.360 3.661 50 0 CHAARN Cc1cc(C)nc(N[C@@H](C)c2ccc(F)cc2F)n1 ZINC000097091518 567904165 /nfs/dbraw/zinc/90/41/65/567904165.db2.gz XMEMTFWYSUQBPX-JTQLQIEISA-N 0 0 263.291 3.545 50 0 CHAARN C[C@H](c1ccccn1)N(C)Cc1ncccc1C(F)(F)F ZINC000097113658 567904349 /nfs/dbraw/zinc/90/43/49/567904349.db2.gz NTACCRDVXRNVNI-LLVKDONJSA-N 0 0 295.308 3.688 50 0 CHAARN COc1ccc(C[C@@H](C)Nc2c(C)noc2C2CC2)cc1 ZINC000097162396 567905341 /nfs/dbraw/zinc/90/53/41/567905341.db2.gz FFVZBYQVKLLPLC-LLVKDONJSA-N 0 0 286.375 3.912 50 0 CHAARN c1sc(-c2cccnc2)nc1-c1ccc2c(c1)OCCO2 ZINC000000038302 567905376 /nfs/dbraw/zinc/90/53/76/567905376.db2.gz ANWZCODVUVJLKC-UHFFFAOYSA-N 0 0 296.351 3.643 50 0 CHAARN Fc1cccc(Cl)c1-c1nnc2cccc(Cl)n21 ZINC000000036447 567905492 /nfs/dbraw/zinc/90/54/92/567905492.db2.gz IRQKKVFHJKNTAP-UHFFFAOYSA-N 0 0 282.105 3.842 50 0 CHAARN Cc1cc(N(C)C)cc(C)c1NC(=O)N(C)[C@H](C)C1CC1 ZINC000097229556 567905695 /nfs/dbraw/zinc/90/56/95/567905695.db2.gz ALVVAVSYYPQASO-CYBMUJFWSA-N 0 0 289.423 3.632 50 0 CHAARN CCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2)cc1 ZINC000000044436 567905768 /nfs/dbraw/zinc/90/57/68/567905768.db2.gz DHKORYKKQAYQRH-AWNIVKPZSA-N 0 0 297.354 3.746 50 0 CHAARN Cc1ccc([C@H](C)N(C)C(=O)Cc2ccc(O)cc2)s1 ZINC000097227829 567905870 /nfs/dbraw/zinc/90/58/70/567905870.db2.gz RFFQPWLXVHSNLG-LBPRGKRZSA-N 0 0 289.400 3.524 50 0 CHAARN Cc1ccsc1CNC(=O)Cn1c(C)cc2ccccc21 ZINC000023137877 567906136 /nfs/dbraw/zinc/90/61/36/567906136.db2.gz FTPBHMZAVIFTQW-UHFFFAOYSA-N 0 0 298.411 3.636 50 0 CHAARN COc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1 ZINC000000058046 567906258 /nfs/dbraw/zinc/90/62/58/567906258.db2.gz ZZMVBTSFGRXFPX-UHFFFAOYSA-N 0 0 266.296 3.777 50 0 biogenic CHAARN O=C(N[C@H]1C[C@@H]1c1ccccc1Cl)c1cc(Cl)c[nH]1 ZINC000585125644 567906491 /nfs/dbraw/zinc/90/64/91/567906491.db2.gz UFVKUPMLNXLRNO-PWSUYJOCSA-N 0 0 295.169 3.607 50 0 CHAARN c1c(CSc2cccc3cccnc32)nc2ncccn12 ZINC000000067278 567906685 /nfs/dbraw/zinc/90/66/85/567906685.db2.gz IHHLEMBZQJLZMQ-UHFFFAOYSA-N 0 0 292.367 3.570 50 0 CHAARN CC[C@H](c1ccccc1)[S@@](=O)Cc1nc(C)c(C)o1 ZINC000097083632 567906892 /nfs/dbraw/zinc/90/68/92/567906892.db2.gz KNDFGTMXAUBJBN-AUUYWEPGSA-N 0 0 277.389 3.691 50 0 CHAARN CC(C)NC(=O)/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000033287723 567906905 /nfs/dbraw/zinc/90/69/05/567906905.db2.gz KPDYHYRSQDRVLV-RAXLEYEMSA-N 0 0 295.382 3.803 50 0 CHAARN Cc1nnc(-c2cccc(CCOc3ccc(F)cc3)c2)o1 ZINC000082099157 567907007 /nfs/dbraw/zinc/90/70/07/567907007.db2.gz QSXJIJUPTHJRMW-UHFFFAOYSA-N 0 0 298.317 3.806 50 0 CHAARN CC(C)[C@H](C)NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000060626564 567907268 /nfs/dbraw/zinc/90/72/68/567907268.db2.gz HUJPEQSQUWYTAI-NSHDSACASA-N 0 0 265.784 3.532 50 0 CHAARN Clc1ccc(C2CCN(Cc3csnn3)CC2)cc1 ZINC000187609154 567907272 /nfs/dbraw/zinc/90/72/72/567907272.db2.gz WNSNEQFNMZSTLI-UHFFFAOYSA-N 0 0 293.823 3.571 50 0 CHAARN O=c1sc(-c2ccccc2)ncc1-c1ccccc1 ZINC000000090788 567908899 /nfs/dbraw/zinc/90/88/99/567908899.db2.gz LGZKGKAZWPJCNK-UHFFFAOYSA-N 0 0 265.337 3.837 50 0 CHAARN Fc1cc(Br)cc(Cl)c1OC(F)F ZINC000095215417 567909220 /nfs/dbraw/zinc/90/92/20/567909220.db2.gz RHNFACINAXGXHW-UHFFFAOYSA-N 0 0 275.451 3.843 50 0 CHAARN FC(F)(F)Oc1ccccc1-c1cnc2[nH]cnc2c1 ZINC000096153138 567909676 /nfs/dbraw/zinc/90/96/76/567909676.db2.gz PJGWJIBTKJNDRQ-UHFFFAOYSA-N 0 0 279.221 3.524 50 0 CHAARN CO[C@@H](C)c1cccc(-c2ccc(C(=O)NC3CC3)cc2)c1 ZINC000096179634 567909690 /nfs/dbraw/zinc/90/96/90/567909690.db2.gz XVNFTPOKOAUIJU-ZDUSSCGKSA-N 0 0 295.382 3.953 50 0 CHAARN O=C(c1ccc(-c2ccncc2F)cc1)N1CCCCC1 ZINC000096162409 567909778 /nfs/dbraw/zinc/90/97/78/567909778.db2.gz JEGGOMGOGZTRMU-UHFFFAOYSA-N 0 0 284.334 3.514 50 0 CHAARN C[C@@H](Nc1nccc(-c2cccnc2)n1)c1cccs1 ZINC000096152065 567909804 /nfs/dbraw/zinc/90/98/04/567909804.db2.gz TYJQPCTWBGEWQC-LLVKDONJSA-N 0 0 282.372 3.773 50 0 CHAARN C[C@@H](NC(=O)Nc1ccc2c(c1)COC2)C1=CCCCC1 ZINC000096153541 567909882 /nfs/dbraw/zinc/90/98/82/567909882.db2.gz RKTRTKSSVSKYEY-GFCCVEGCSA-N 0 0 286.375 3.727 50 0 CHAARN O=C(COC(=O)c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000011565736 567910092 /nfs/dbraw/zinc/91/00/92/567910092.db2.gz PMAVEVXOYSPROQ-UHFFFAOYSA-N 0 0 292.693 3.519 50 0 CHAARN CCOc1ccc(NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000096318520 567910240 /nfs/dbraw/zinc/91/02/40/567910240.db2.gz BWAYJXABUWGJGB-ZDUSSCGKSA-N 0 0 269.344 3.828 50 0 CHAARN CCCOc1ccccc1C(=O)NCCc1cccs1 ZINC000096319239 567910266 /nfs/dbraw/zinc/91/02/66/567910266.db2.gz LURYPULHKPIDNN-UHFFFAOYSA-N 0 0 289.400 3.509 50 0 CHAARN Cc1ccc2nc(/C=C/c3csnn3)ccc2c1 ZINC000044025643 567910281 /nfs/dbraw/zinc/91/02/81/567910281.db2.gz MKPSDPFVCPWNHR-AATRIKPKSA-N 0 0 253.330 3.565 50 0 CHAARN CCCCOc1cc(F)ccc1-c1ccc(N(C)C)nn1 ZINC000097529090 567910358 /nfs/dbraw/zinc/91/03/58/567910358.db2.gz KMTMRSDBXFCGRC-UHFFFAOYSA-N 0 0 289.354 3.528 50 0 CHAARN O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@H]1c1cccs1 ZINC000247797355 567910568 /nfs/dbraw/zinc/91/05/68/567910568.db2.gz DIFYOUUJGQEUKL-UPJWGTAASA-N 0 0 287.384 3.808 50 0 CHAARN CCCCN(Cc1ccc(F)cc1)C(=O)c1ncoc1C ZINC000097759368 567911276 /nfs/dbraw/zinc/91/12/76/567911276.db2.gz QURTUZSPIVXDAC-UHFFFAOYSA-N 0 0 290.338 3.565 50 0 CHAARN CO[C@@H](C)c1ccc(-c2cc(C3CC3)ncn2)cc1 ZINC000097766255 567911467 /nfs/dbraw/zinc/91/14/67/567911467.db2.gz PUDLSGQKBHZTAT-NSHDSACASA-N 0 0 254.333 3.728 50 0 CHAARN Cc1ccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@@H]3C2=O)cc1Cl ZINC000100580461 567913526 /nfs/dbraw/zinc/91/35/26/567913526.db2.gz DOGDBBHAXPJGES-WQAKAFBOSA-N 0 0 291.778 3.574 50 0 CHAARN CCOc1ccc(C[C@H]2c3cc(C)cc(C)c3NC2=O)cc1 ZINC000101014813 567914485 /nfs/dbraw/zinc/91/44/85/567914485.db2.gz FKBVVOAHVAQDOB-KRWDZBQOSA-N 0 0 295.382 3.981 50 0 CHAARN Cc1c(F)cccc1NC(=O)c1c[nH]c2ccccc12 ZINC000041107833 567914795 /nfs/dbraw/zinc/91/47/95/567914795.db2.gz XIOCBDUPYIWDEF-UHFFFAOYSA-N 0 0 268.291 3.868 50 0 CHAARN CC[C@@H]1CC[C@@H](C)N1c1ccnc(-c2ccccc2)n1 ZINC000095458747 567915373 /nfs/dbraw/zinc/91/53/73/567915373.db2.gz YSHPGSMYWOZQSF-UKRRQHHQSA-N 0 0 267.376 3.911 50 0 CHAARN CC(C)(C)c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000000101130 567916927 /nfs/dbraw/zinc/91/69/27/567916927.db2.gz DBYLGNUUDMKPBF-UHFFFAOYSA-N 0 0 289.419 3.812 50 0 CHAARN Cc1ccc(C(=O)OCc2coc(C(C)(C)C)n2)c(C)c1 ZINC000328589706 567917270 /nfs/dbraw/zinc/91/72/70/567917270.db2.gz HESMEKFTMBFFDK-UHFFFAOYSA-N 0 0 287.359 3.946 50 0 CHAARN Cc1cc(Cl)nc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000003159103 567922580 /nfs/dbraw/zinc/92/25/80/567922580.db2.gz ZXVOEFFGWCXKKH-UHFFFAOYSA-N 0 0 297.145 3.736 50 0 CHAARN CC(C)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 ZINC000000128463 567923580 /nfs/dbraw/zinc/92/35/80/567923580.db2.gz ZSIAUFPBONJBEU-UHFFFAOYSA-N 0 0 287.334 3.967 50 0 CHAARN Cc1cc(C)c(C(N)=O)c(Oc2ccc(Cl)cc2C)n1 ZINC000000127903 567923642 /nfs/dbraw/zinc/92/36/42/567923642.db2.gz ZKRIUGDTEVEZAE-UHFFFAOYSA-N 0 0 290.750 3.551 50 0 CHAARN Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(F)cc1 ZINC000000140669 567923782 /nfs/dbraw/zinc/92/37/82/567923782.db2.gz QIEJNWZVUOGSJT-UHFFFAOYSA-N 0 0 296.345 3.588 50 0 biogenic,in-vitro CHAARN C[C@H](NC(=O)C1CCCC1)c1ccc(-n2cccc2)cc1 ZINC000028221134 567923794 /nfs/dbraw/zinc/92/37/94/567923794.db2.gz BENZKIXYENRBFL-AWEZNQCLSA-N 0 0 282.387 3.845 50 0 CHAARN COc1ccccc1/C=C/C(=O)N1CCCc2ccccc21 ZINC000000149680 567923845 /nfs/dbraw/zinc/92/38/45/567923845.db2.gz JLLCYNZVXVSFDC-OUKQBFOZSA-N 0 0 293.366 3.688 50 0 CHAARN COc1ccc(-c2csc(NC(=O)C(C)(C)C)n2)cc1 ZINC000000149136 567923903 /nfs/dbraw/zinc/92/39/03/567923903.db2.gz RMDXAPBDBZEQNF-UHFFFAOYSA-N 0 0 290.388 3.803 50 0 CHAARN O=C1CS[C@@H](c2cccs2)N1c1ccccc1 ZINC000000179929 567924274 /nfs/dbraw/zinc/92/42/74/567924274.db2.gz BSVGMWCIZDSTDJ-ZDUSSCGKSA-N 0 0 261.371 3.527 50 0 CHAARN Cc1cccc(N2C(=O)CS[C@H]2c2ccc(F)cc2)c1 ZINC000000179966 567924499 /nfs/dbraw/zinc/92/44/99/567924499.db2.gz YJMLHLLEBIQCLD-INIZCTEOSA-N 0 0 287.359 3.913 50 0 CHAARN CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1Cl ZINC000000194730 567924704 /nfs/dbraw/zinc/92/47/04/567924704.db2.gz NYLBKLGDPCYCHF-UHFFFAOYSA-N 0 0 294.763 3.612 50 0 CHAARN CC(C)COc1ccc(C(=S)N2CCCCC2)cc1 ZINC000000193199 567924908 /nfs/dbraw/zinc/92/49/08/567924908.db2.gz OPIJEJKWAIGJEB-UHFFFAOYSA-N 0 0 277.433 3.883 50 0 CHAARN Cc1cccc(-c2nc3ccc(Cl)cc3c(=O)o2)c1 ZINC000000202936 567925143 /nfs/dbraw/zinc/92/51/43/567925143.db2.gz FXASSVLOTLKEJJ-UHFFFAOYSA-N 0 0 271.703 3.817 50 0 CHAARN COc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1 ZINC000000209679 567925146 /nfs/dbraw/zinc/92/51/46/567925146.db2.gz UDUPAJDDKKRWGU-UHFFFAOYSA-N 0 0 281.355 3.826 50 0 CHAARN c1csc(-c2noc(COc3ccc4c(c3)CCC4)n2)c1 ZINC000000118556 567925470 /nfs/dbraw/zinc/92/54/70/567925470.db2.gz ACPYSXALMLZDOX-UHFFFAOYSA-N 0 0 298.367 3.866 50 0 CHAARN Cc1ccc(C)c(C(=O)CSc2nc(C)cc(C)n2)c1 ZINC000000255560 567925584 /nfs/dbraw/zinc/92/55/84/567925584.db2.gz NJPNUFUDRIZSFC-UHFFFAOYSA-N 0 0 286.400 3.685 50 0 CHAARN C[C@H](O)c1ccc(Oc2ccc([C@H](C)O)cc2)cc1 ZINC000000262380 567925695 /nfs/dbraw/zinc/92/56/95/567925695.db2.gz NKDKJEOJMQSDNA-RYUDHWBXSA-N 0 0 258.317 3.586 50 0 CHAARN C=COc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000000249704 567925702 /nfs/dbraw/zinc/92/57/02/567925702.db2.gz LHHUMZBLYYMLTB-UHFFFAOYSA-N 0 0 257.264 3.600 50 0 CHAARN COc1cccc(C(=O)Nc2cccc3c2CCCC3)c1 ZINC000000290296 567926011 /nfs/dbraw/zinc/92/60/11/567926011.db2.gz OAFJCKSMCZKLBH-UHFFFAOYSA-N 0 0 281.355 3.826 50 0 CHAARN O=C(COc1ccccc1)Nc1cccc2c1CCCC2 ZINC000000299944 567926452 /nfs/dbraw/zinc/92/64/52/567926452.db2.gz FIAYPVDWZNNUSE-UHFFFAOYSA-N 0 0 281.355 3.583 50 0 CHAARN Cc1ccc(NCc2ccc3c(c2)OCO3)cc1C ZINC000000293347 567926531 /nfs/dbraw/zinc/92/65/31/567926531.db2.gz ZOPYWGWMRLIJCR-UHFFFAOYSA-N 0 0 255.317 3.644 50 0 CHAARN CC[C@@H](c1nc(-c2cccnc2)no1)c1ccccc1 ZINC000000311786 567926785 /nfs/dbraw/zinc/92/67/85/567926785.db2.gz AOTXEHCTXXYAIZ-CQSZACIVSA-N 0 0 265.316 3.674 50 0 CHAARN Cc1nc(-c2ccc(OCc3ccccc3F)cc2)no1 ZINC000061112237 567927680 /nfs/dbraw/zinc/92/76/80/567927680.db2.gz ZOFIMDMZHJNWJX-UHFFFAOYSA-N 0 0 284.290 3.763 50 0 CHAARN Nc1ccc(-c2ccc(-c3ccc(N)cc3)c(N)c2)cc1 ZINC000000387679 567927967 /nfs/dbraw/zinc/92/79/67/567927967.db2.gz FDIVPMKWKPSYLH-UHFFFAOYSA-N 0 0 275.355 3.767 50 0 CHAARN CC(C)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000000387058 567928013 /nfs/dbraw/zinc/92/80/13/567928013.db2.gz LBBGIZDRANQQPS-UHFFFAOYSA-N 0 0 285.372 3.657 50 0 CHAARN CCCCCCC1(O)CC(C)(C)N(O)C(C)(C)C1 ZINC000100740441 567928638 /nfs/dbraw/zinc/92/86/38/567928638.db2.gz QLYZTOFOLBDCJN-UHFFFAOYSA-N 0 0 256.410 3.686 50 0 CHAARN CCn1ccnc1S[C@@H](C)C(=O)c1c[nH]c2ccccc12 ZINC000011890621 567928589 /nfs/dbraw/zinc/92/85/89/567928589.db2.gz UHHVOQTUOAEHNG-NSHDSACASA-N 0 0 299.399 3.748 50 0 CHAARN CCN(C(=O)C1=Cc2ccccc2OC1)c1ccc(F)cc1 ZINC000024135210 567928834 /nfs/dbraw/zinc/92/88/34/567928834.db2.gz LZGXZQVQDAEGSZ-UHFFFAOYSA-N 0 0 297.329 3.655 50 0 CHAARN CCc1cccc(C)c1Nc1nc(C)nc2c1CCC2 ZINC000011907767 567928958 /nfs/dbraw/zinc/92/89/58/567928958.db2.gz VCRXXLUJQZMRST-UHFFFAOYSA-N 0 0 267.376 3.888 50 0 CHAARN Cc1ccc2c(c1)s/c(=N\C(=O)C1CCCCC1)n2C ZINC000100813201 567928960 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CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000014013285 570223458 /nfs/dbraw/zinc/22/34/58/570223458.db2.gz ZTENOSWMFZVQIF-QGZVFWFLSA-N 0 0 299.370 3.800 50 0 CHAARN O=C(C[C@@H]1C=CCC1)N[C@H]1CCCc2ccccc21 ZINC000014019835 570223485 /nfs/dbraw/zinc/22/34/85/570223485.db2.gz WDBFJGZMTUGNOJ-CJNGLKHVSA-N 0 0 255.361 3.537 50 0 CHAARN O=C(N[C@H]1CCSc2c(F)cccc21)[C@H]1CC=CCC1 ZINC000032837309 570224196 /nfs/dbraw/zinc/22/41/96/570224196.db2.gz GZSIQZPAOXBNDY-FZMZJTMJSA-N 0 0 291.391 3.835 50 0 CHAARN Cc1ccsc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000014575398 570224423 /nfs/dbraw/zinc/22/44/23/570224423.db2.gz GYYSMYNDRJEGST-SECBINFHSA-N 0 0 281.327 3.826 50 0 CHAARN C[C@H](CCc1ccccc1)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000032862684 570224951 /nfs/dbraw/zinc/22/49/51/570224951.db2.gz AIKXPJVPZKTPHM-UXLLHSPISA-N 0 0 288.435 3.886 50 0 CHAARN Cc1nc(C(C)C)sc1C(=O)Nc1ccc(C)cn1 ZINC000032924425 570225471 /nfs/dbraw/zinc/22/54/71/570225471.db2.gz FORWIWHHCIGMKY-UHFFFAOYSA-N 0 0 275.377 3.531 50 0 CHAARN COc1ccc(/C=C/c2cnc3ccccc3n2)cc1OC ZINC000016997780 570226395 /nfs/dbraw/zinc/22/63/95/570226395.db2.gz FNOLUOKAPMSWQC-VQHVLOKHSA-N 0 0 292.338 3.817 50 0 CHAARN CCOC(=O)[C@H](CC)Oc1cccc(Cl)c1Cl ZINC000017007688 570226754 /nfs/dbraw/zinc/22/67/54/570226754.db2.gz CMWUQGPKQKYZGW-VIFPVBQESA-N 0 0 277.147 3.714 50 0 CHAARN CC(C)Oc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000017008163 570226771 /nfs/dbraw/zinc/22/67/71/570226771.db2.gz DCJDQFRWWUATCO-XFFZJAGNSA-N 0 0 279.386 3.803 50 0 CHAARN COc1cc(F)ccc1NC(=O)c1cccc(Cl)c1 ZINC000025309676 570230152 /nfs/dbraw/zinc/23/01/52/570230152.db2.gz SAVCUDQHWBYGDN-UHFFFAOYSA-N 0 0 279.698 3.740 50 0 CHAARN COc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1OC ZINC000025464997 570230369 /nfs/dbraw/zinc/23/03/69/570230369.db2.gz XTJGHBKBRKVNEN-UHFFFAOYSA-N 0 0 299.370 3.620 50 0 CHAARN Cc1noc(C(C)C)c1C(=O)Nc1cnc2ccccc2c1 ZINC000025533148 570230443 /nfs/dbraw/zinc/23/04/43/570230443.db2.gz JYCWBEMXISJSQZ-UHFFFAOYSA-N 0 0 295.342 3.907 50 0 CHAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nnc(C(C)C)s2)C1(C)C ZINC000026601279 570232203 /nfs/dbraw/zinc/23/22/03/570232203.db2.gz VGSJKDUSHOPWAZ-MNOVXSKESA-N 0 0 293.436 3.838 50 0 CHAARN c1csc(-c2ccnc(Nc3ccccc3)n2)c1 ZINC000026655224 570232300 /nfs/dbraw/zinc/23/23/00/570232300.db2.gz RMTFLKWUOVXGOI-UHFFFAOYSA-N 0 0 253.330 3.949 50 0 CHAARN C[C@@H]1[C@H](c2ccccc2)O[C@H](c2cccs2)N1C ZINC000036025340 570233315 /nfs/dbraw/zinc/23/33/15/570233315.db2.gz UFDNKBVVFFWGRF-KCPJHIHWSA-N 0 0 259.374 3.839 50 0 CHAARN CC(C)(C)C(=O)Nc1cnc(-c2cccc(Cl)c2)nc1 ZINC000097938601 570235160 /nfs/dbraw/zinc/23/51/60/570235160.db2.gz MEQYHYGQZNYOAZ-UHFFFAOYSA-N 0 0 289.766 3.782 50 0 CHAARN COc1cccc(C(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000045028763 570236076 /nfs/dbraw/zinc/23/60/76/570236076.db2.gz DBZCYDBIEVVVDA-UHFFFAOYSA-N 0 0 282.126 3.628 50 0 CHAARN CCCCOc1ccc(C(=O)c2cccc(OC)n2)cc1 ZINC000045028750 570236161 /nfs/dbraw/zinc/23/61/61/570236161.db2.gz OHTZUITUONMYLL-UHFFFAOYSA-N 0 0 285.343 3.500 50 0 CHAARN CC(C)O[C@@H]1CCc2cc(Br)ccc21 ZINC000047843790 570237715 /nfs/dbraw/zinc/23/77/15/570237715.db2.gz AVUQWQCTLHMHME-GFCCVEGCSA-N 0 0 255.155 3.861 50 0 CHAARN Cc1nnsc1CN(C)c1cc(C)c2cc(C)ccc2n1 ZINC000055153963 570241220 /nfs/dbraw/zinc/24/12/20/570241220.db2.gz ZOIMHSMLAZYAOX-UHFFFAOYSA-N 0 0 298.415 3.648 50 0 CHAARN CC(C)(C)C(=O)N1CCC(c2cccs2)CC1 ZINC000077103309 570242039 /nfs/dbraw/zinc/24/20/39/570242039.db2.gz BFZULAGRKDUBIQ-UHFFFAOYSA-N 0 0 251.395 3.500 50 0 CHAARN CC[C@@H](C)n1nccc1NC(=O)c1nc(C(C)C)cs1 ZINC000055361063 570242911 /nfs/dbraw/zinc/24/29/11/570242911.db2.gz CYPZOBWPVFTKRI-SNVBAGLBSA-N 0 0 292.408 3.686 50 0 CHAARN CCN(Cc1ccncc1)Cc1cc(Cl)ccc1OC ZINC000055414073 570243264 /nfs/dbraw/zinc/24/32/64/570243264.db2.gz LPZIGECGQBTPJY-UHFFFAOYSA-N 0 0 290.794 3.766 50 0 CHAARN CCOc1ncc(Cl)cc1OCc1ccccc1 ZINC000065337502 570244067 /nfs/dbraw/zinc/24/40/67/570244067.db2.gz BCAHLCQXFXIFIX-UHFFFAOYSA-N 0 0 263.724 3.713 50 0 CHAARN CC(C)N(Cc1nccn1C)CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000065528220 570244672 /nfs/dbraw/zinc/24/46/72/570244672.db2.gz QTWBSDBFXUBFSU-HOTGVXAUSA-N 0 0 287.451 3.623 50 0 CHAARN C[C@@H](NC(=O)c1cccnc1)c1cccc2ccccc21 ZINC000004656402 570246895 /nfs/dbraw/zinc/24/68/95/570246895.db2.gz YHDNUDCCQOADDI-CYBMUJFWSA-N 0 0 276.339 3.726 50 0 CHAARN CC(=O)c1ccccc1NC(=O)CNc1ccc(C)c(C)c1 ZINC000060463461 570247833 /nfs/dbraw/zinc/24/78/33/570247833.db2.gz AQGJVAGUQGLRBS-UHFFFAOYSA-N 0 0 296.370 3.557 50 0 CHAARN Cc1[nH]c(-c2ccc(C)cc2)cc1C(=O)N1CCCCC1 ZINC000033139620 570248621 /nfs/dbraw/zinc/24/86/21/570248621.db2.gz SQROKSIGWPSQGP-UHFFFAOYSA-N 0 0 282.387 3.925 50 0 CHAARN Oc1ccccc1-c1csc(-c2ccncc2)n1 ZINC000084847181 570253468 /nfs/dbraw/zinc/25/34/68/570253468.db2.gz IJAOLTKSJPWGRO-UHFFFAOYSA-N 0 0 254.314 3.578 50 0 CHAARN O=C(Nc1nccs1)c1ccc(SC(F)F)cc1 ZINC000011610953 570256863 /nfs/dbraw/zinc/25/68/63/570256863.db2.gz QEHMNMYQUVHNMI-UHFFFAOYSA-N 0 0 286.328 3.710 50 0 CHAARN O[C@@H]1c2ccccc2[C@H]2[C@@H](c3ccccc31)C2(F)F ZINC000100046857 570257512 /nfs/dbraw/zinc/25/75/12/570257512.db2.gz JQQYFHVXFOMLGI-FICVDOATSA-N 0 0 258.267 3.598 50 0 CHAARN Fc1ccc(Cl)cc1-c1noc(C2CCC2)n1 ZINC000725273656 570264018 /nfs/dbraw/zinc/26/40/18/570264018.db2.gz SQQWNYHMQQFUQB-UHFFFAOYSA-N 0 0 252.676 3.797 50 0 CHAARN O=C(CCC1CCCC1)Nc1cccnc1Cl ZINC000000364489 570265577 /nfs/dbraw/zinc/26/55/77/570265577.db2.gz IJKJNAXNTGKFJT-UHFFFAOYSA-N 0 0 252.745 3.644 50 0 CHAARN COc1cccc(NC(=O)c2ccc(OC(F)F)cc2)c1 ZINC000000373482 570265863 /nfs/dbraw/zinc/26/58/63/570265863.db2.gz DLSAXMYTQMEDAB-UHFFFAOYSA-N 0 0 293.269 3.549 50 0 CHAARN Cc1cccc(CO[C@H]2CCCN(C(=O)CC(C)C)C2)c1 ZINC000036314787 570267740 /nfs/dbraw/zinc/26/77/40/570267740.db2.gz ACNKIEIRSPCMFB-KRWDZBQOSA-N 0 0 289.419 3.549 50 0 CHAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c3c(c21)CCC3 ZINC000000407875 570270251 /nfs/dbraw/zinc/27/02/51/570270251.db2.gz XVOPNPKDDUSDGS-UHFFFAOYSA-N 0 0 268.312 3.953 50 0 biogenic CHAARN Cc1cccc2nc(CNc3nc4ccccc4s3)cn21 ZINC000000809970 570270942 /nfs/dbraw/zinc/27/09/42/570270942.db2.gz BRSWQKGAOFNRFR-UHFFFAOYSA-N 0 0 294.383 3.865 50 0 CHAARN Clc1cccc2ncn3nc(-c4ccsc4)nc3c12 ZINC000061718976 570272008 /nfs/dbraw/zinc/27/20/08/570272008.db2.gz AKEHSPVUSDULSQ-UHFFFAOYSA-N 0 0 286.747 3.659 50 0 CHAARN O=c1c(O)c(-c2cccs2)oc2ccc(Cl)cc12 ZINC000000139929 570272761 /nfs/dbraw/zinc/27/27/61/570272761.db2.gz NANFYPCPHFMPPQ-UHFFFAOYSA-N 0 0 278.716 3.881 50 0 aggregator CHAARN Clc1ccc(-c2ncc(-c3ccncn3)s2)cc1 ZINC000221588392 570273007 /nfs/dbraw/zinc/27/30/07/570273007.db2.gz WEOBDPVPRKSUTO-UHFFFAOYSA-N 0 0 273.748 3.921 50 0 CHAARN C[C@H](Sc1ncc2ccccn21)c1cccnc1 ZINC000079576197 570273033 /nfs/dbraw/zinc/27/30/33/570273033.db2.gz MBSRKSNIXJQOKY-NSHDSACASA-N 0 0 255.346 3.583 50 0 CHAARN COC(=O)c1cn(CCOc2ccccc2)c2ccccc12 ZINC000000555436 570287733 /nfs/dbraw/zinc/28/77/33/570287733.db2.gz XRLJHAXZJSSBGD-UHFFFAOYSA-N 0 0 295.338 3.507 50 0 CHAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1ccccn1 ZINC000046960821 570290532 /nfs/dbraw/zinc/29/05/32/570290532.db2.gz DZZROHGDKXBUJF-ZDUSSCGKSA-N 0 0 299.374 3.818 50 0 CHAARN C[C@@H](NC(=O)N(C)Cc1ccco1)c1ccc(Cl)s1 ZINC000044970084 570294552 /nfs/dbraw/zinc/29/45/52/570294552.db2.gz MMBUCKHRNFOADO-SECBINFHSA-N 0 0 298.795 3.897 50 0 CHAARN Cc1ccc([C@@H](C)N(C)C(=O)Nc2cccnc2)s1 ZINC000044972834 570294632 /nfs/dbraw/zinc/29/46/32/570294632.db2.gz KHPGVCSHXPAHRY-LLVKDONJSA-N 0 0 275.377 3.676 50 0 CHAARN CC/C=C(\C)C(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000046042725 570295728 /nfs/dbraw/zinc/29/57/28/570295728.db2.gz VRTTUKXNGXMCNO-VZUCSPMQSA-N 0 0 283.318 3.603 50 0 CHAARN Clc1snnc1CN1CCC[C@H]1C1CCCCC1 ZINC000048287169 570296874 /nfs/dbraw/zinc/29/68/74/570296874.db2.gz SGOSUSVYQJRQKT-LBPRGKRZSA-N 0 0 285.844 3.736 50 0 CHAARN Fc1ccc(OCc2noc(-c3ccsc3)n2)c(F)c1 ZINC000048333604 570297110 /nfs/dbraw/zinc/29/71/10/570297110.db2.gz BFVSKKYMKQXUMY-UHFFFAOYSA-N 0 0 294.282 3.655 50 0 CHAARN CC(C)(C)C[C@@H](NC(=O)C1CC1)c1ccc(F)cc1 ZINC000048331726 570297404 /nfs/dbraw/zinc/29/74/04/570297404.db2.gz HETGBXSHDTVNNN-CQSZACIVSA-N 0 0 263.356 3.829 50 0 CHAARN CC(C)(C)C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000048326469 570297412 /nfs/dbraw/zinc/29/74/12/570297412.db2.gz LBMXIAHPLFEAIA-CABCVRRESA-N 0 0 293.382 3.598 50 0 CHAARN Cc1noc(C)c1C(=O)N(C)c1cccc(C(C)C)c1 ZINC000049030969 570299991 /nfs/dbraw/zinc/29/99/91/570299991.db2.gz OSRLLIBHACGMSO-UHFFFAOYSA-N 0 0 272.348 3.691 50 0 CHAARN [O-]c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000215849585 570304266 /nfs/dbraw/zinc/30/42/66/570304266.db2.gz BKDVYXSFGGCNIG-UHFFFAOYSA-N 0 0 270.719 3.898 50 0 CHAARN O=C(CC(F)(F)F)N1CCCC[C@H](c2ccccc2)C1 ZINC000390827670 570309731 /nfs/dbraw/zinc/30/97/31/570309731.db2.gz IVFAPUGQSQAVMI-ZDUSSCGKSA-N 0 0 285.309 3.735 50 0 CHAARN O=C(N[C@H](c1ccsc1)c1cccs1)c1ccoc1 ZINC000390827615 570309785 /nfs/dbraw/zinc/30/97/85/570309785.db2.gz ZULBKZKTVBQOMK-CYBMUJFWSA-N 0 0 289.381 3.922 50 0 CHAARN Clc1cccc(OCCCCN2CCSC2)c1 ZINC000031598802 570310630 /nfs/dbraw/zinc/31/06/30/570310630.db2.gz YUBPEBLOZNCENP-UHFFFAOYSA-N 0 0 271.813 3.505 50 0 CHAARN C[C@@H]1N(O)[C@H](c2ccc(Cl)cc2Cl)N(O)C1(C)C ZINC000229919441 570316994 /nfs/dbraw/zinc/31/69/94/570316994.db2.gz QAFLQITYULGKSZ-CPCISQLKSA-N 0 0 291.178 3.555 50 0 CHAARN Oc1cc2cc(Br)ccc2nc1C1CC1 ZINC000685944674 570318724 /nfs/dbraw/zinc/31/87/24/570318724.db2.gz MUAVPCWYMDLTSI-UHFFFAOYSA-N 0 0 264.122 3.580 50 0 CHAARN Cc1nn(C)c(C(=O)Nc2c(C)cc(C)cc2C)c1Cl ZINC000001002263 570323545 /nfs/dbraw/zinc/32/35/45/570323545.db2.gz CTGNCNUUZQCBLB-UHFFFAOYSA-N 0 0 291.782 3.559 50 0 CHAARN Cc1cccc(C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)c1 ZINC000015217199 570324729 /nfs/dbraw/zinc/32/47/29/570324729.db2.gz IWRNNCWDOYZRTJ-ONKXNFODSA-N 0 0 289.334 3.896 50 0 CHAARN Cc1ccc([C@H](CC(=O)c2ccco2)SCCO)cc1 ZINC000001896348 570326473 /nfs/dbraw/zinc/32/64/73/570326473.db2.gz PIRIGGVEFQHHDW-INIZCTEOSA-N 0 0 290.384 3.628 50 0 CHAARN Cc1c2ccccc2oc1C(=O)Nc1ccc(C)cn1 ZINC000012523074 570326708 /nfs/dbraw/zinc/32/67/08/570326708.db2.gz ZGUGKFSCLHUHDE-UHFFFAOYSA-N 0 0 266.300 3.697 50 0 CHAARN CCC[C@@H](C(=O)Nc1cccc(C)n1)c1ccccc1 ZINC000012544183 570327327 /nfs/dbraw/zinc/32/73/27/570327327.db2.gz FSZOLQUYDXFRFI-OAHLLOKOSA-N 0 0 268.360 3.912 50 0 CHAARN O=C(Oc1ccc(F)cc1Cl)c1cccs1 ZINC000003265282 570327431 /nfs/dbraw/zinc/32/74/31/570327431.db2.gz CIOQXMFNSQEKTI-UHFFFAOYSA-N 0 0 256.685 3.760 50 0 CHAARN Cc1ccc([C@@H](C)NC(=O)N([C@@H](C)C2CC2)C2CC2)o1 ZINC000073503411 570328109 /nfs/dbraw/zinc/32/81/09/570328109.db2.gz IDSIAQYBKRXNFT-NEPJUHHUSA-N 0 0 276.380 3.622 50 0 CHAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccccc1)C2 ZINC000012618103 570329780 /nfs/dbraw/zinc/32/97/80/570329780.db2.gz WTMOOJWEPSAJBC-HNNXBMFYSA-N 0 0 269.369 3.651 50 0 CHAARN COc1ccc([C@H]2CN(c3ccccc3)C[C@H]2C(C)=O)cc1 ZINC000004053737 570331038 /nfs/dbraw/zinc/33/10/38/570331038.db2.gz YHIGONDGSZFBNC-RBUKOAKNSA-N 0 0 295.382 3.504 50 0 CHAARN O=Cc1ccc(C=C(Br)Br)cc1 ZINC000043214931 570331056 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C[C@@H]1CCc2sc(C(=O)Nc3ccncc3)cc2C1 ZINC000016602243 567873215 /nfs/dbraw/zinc/87/32/15/567873215.db2.gz KZWGOQZSFQVHQL-SNVBAGLBSA-N 0 0 272.373 3.520 50 0 CHAARN Cc1ccc(CS(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000016579427 567873340 /nfs/dbraw/zinc/87/33/40/567873340.db2.gz YIXUATRWRCXAFL-UHFFFAOYSA-N 0 0 295.791 3.590 50 0 CHAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000017023880 567874633 /nfs/dbraw/zinc/87/46/33/567874633.db2.gz KWNRKRLIBIWIRX-KBPBESRZSA-N 0 0 295.448 3.763 50 0 CHAARN CS[C@]1(c2ccc(C)cc2)CC(C)=C(C)C[S@]1=O ZINC000017111749 567874872 /nfs/dbraw/zinc/87/48/72/567874872.db2.gz NYJIOPKPWXYYRX-QAPCUYQASA-N 0 0 280.458 4.000 50 0 CHAARN O=C1CS[C@H](c2cccc(Cl)c2Cl)N1C1CC1 ZINC000017197967 567875211 /nfs/dbraw/zinc/87/52/11/567875211.db2.gz SHRKBROVTDGOQA-GFCCVEGCSA-N 0 0 288.199 3.730 50 0 CHAARN Cc1occc1C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000032931091 567875297 /nfs/dbraw/zinc/87/52/97/567875297.db2.gz CGUGAHUKMDCNBX-SECBINFHSA-N 0 0 295.285 3.680 50 0 CHAARN C[C@@H](Cc1ccccc1Cl)NC(=O)[C@H]1CC=CCC1 ZINC000032930652 567875331 /nfs/dbraw/zinc/87/53/31/567875331.db2.gz VUYLMWDALVFCBT-STQMWFEESA-N 0 0 277.795 3.744 50 0 CHAARN CC(=O)Nc1ccc(CNc2ccc(Cl)cc2)cc1 ZINC000000410112 567875495 /nfs/dbraw/zinc/87/54/95/567875495.db2.gz KLNYVKKXRCYIPG-UHFFFAOYSA-N 0 0 274.751 3.911 50 0 CHAARN CCOc1ccccc1NC(=S)N1C[C@H](C)C[C@H](C)C1 ZINC000018067463 567876371 /nfs/dbraw/zinc/87/63/71/567876371.db2.gz JQVAZOXMFSCXTA-BETUJISGSA-N 0 0 292.448 3.760 50 0 CHAARN O=C(Nc1cccc(F)c1)c1nccc2ccccc21 ZINC000060192430 567877080 /nfs/dbraw/zinc/87/70/80/567877080.db2.gz JJZQEQZMXUPANA-UHFFFAOYSA-N 0 0 266.275 3.626 50 0 CHAARN Cc1ccc2c(c1)c1c(n2C[NH+]2CCCCC2)C(=O)CCC1 ZINC000019639488 567877943 /nfs/dbraw/zinc/87/79/43/567877943.db2.gz UTUROIWRZALJEU-UHFFFAOYSA-N 0 0 296.414 3.912 50 0 CHAARN Fc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000019608351 567878168 /nfs/dbraw/zinc/87/81/68/567878168.db2.gz MQJWUWLVUZGILY-MRXNPFEDSA-N 0 0 266.319 3.542 50 0 CHAARN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N ZINC000019430515 567878171 /nfs/dbraw/zinc/87/81/71/567878171.db2.gz UFOJNUSJWKEEEQ-UHFFFAOYSA-N 0 0 294.276 3.848 50 0 CHAARN O=C(Nc1ccc(Br)cc1)c1ccsc1 ZINC000019486025 567878232 /nfs/dbraw/zinc/87/82/32/567878232.db2.gz FKWIXPGPVDBVGD-UHFFFAOYSA-N 0 0 282.162 3.763 50 0 CHAARN Nc1ccc(F)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000019736790 567878305 /nfs/dbraw/zinc/87/83/05/567878305.db2.gz RAXCEVIZANUMCQ-UHFFFAOYSA-N 0 0 299.132 3.967 50 0 CHAARN Cc1ccc(N)cc1NC(=O)c1ccccc1OCC(C)C ZINC000019736115 567878310 /nfs/dbraw/zinc/87/83/10/567878310.db2.gz WTBPCAFGGGHBAN-UHFFFAOYSA-N 0 0 298.386 3.864 50 0 CHAARN Cc1ccc(N)cc1NC(=O)c1cccc(OC(C)C)c1 ZINC000019736722 567878407 /nfs/dbraw/zinc/87/84/07/567878407.db2.gz MXVYTWICUCYEFW-UHFFFAOYSA-N 0 0 284.359 3.617 50 0 CHAARN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(N)ccc1C ZINC000019736100 567878434 /nfs/dbraw/zinc/87/84/34/567878434.db2.gz AMERBEJUQPQKQZ-KRWDZBQOSA-N 0 0 298.386 3.682 50 0 CHAARN Cc1ccc(N)cc1NC(=O)c1cccc(OCC(C)C)c1 ZINC000019736719 567878543 /nfs/dbraw/zinc/87/85/43/567878543.db2.gz WYWYGOWFWKFYCN-UHFFFAOYSA-N 0 0 298.386 3.864 50 0 CHAARN CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(N)c2)cc1 ZINC000019736688 567878604 /nfs/dbraw/zinc/87/86/04/567878604.db2.gz ZBSVWPPLARVPEW-GFCCVEGCSA-N 0 0 284.359 3.698 50 0 CHAARN Nc1ccc(OC(c2ccccc2)c2ccccc2)nc1 ZINC000019754085 567878840 /nfs/dbraw/zinc/87/88/40/567878840.db2.gz BTVYFRPPJGVCDE-UHFFFAOYSA-N 0 0 276.339 3.832 50 0 CHAARN C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000023977099 567881904 /nfs/dbraw/zinc/88/19/04/567881904.db2.gz WPYGIYYKMJVDMB-NRPADANISA-N 0 0 272.175 3.827 50 0 CHAARN Cc1ccnc(NC(=O)c2ccc3c(c2)CCCC3)c1 ZINC000024580961 567882249 /nfs/dbraw/zinc/88/22/49/567882249.db2.gz CIVGQXPWHHTDQK-UHFFFAOYSA-N 0 0 266.344 3.521 50 0 CHAARN Oc1ccccc1-c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000013126729 567882275 /nfs/dbraw/zinc/88/22/75/567882275.db2.gz PCCNBBWUCGTENW-UHFFFAOYSA-N 0 0 254.264 3.588 50 0 CHAARN O=C1CC(/C=C/c2ccccc2)=Nc2ccccc2N1 ZINC000006257869 567882396 /nfs/dbraw/zinc/88/23/96/567882396.db2.gz YXOTZFPASAWCAO-ZHACJKMWSA-N 0 0 262.312 3.815 50 0 CHAARN c1ccc(-c2nnc(N3CCc4ccccc4C3)s2)cc1 ZINC000024052496 567882423 /nfs/dbraw/zinc/88/24/23/567882423.db2.gz JADNAVUFTQDDET-UHFFFAOYSA-N 0 0 293.395 3.768 50 0 CHAARN CC(C)(C)c1ccc(N[C@@H](C(N)=O)c2ccccc2)cc1 ZINC000026158430 567882901 /nfs/dbraw/zinc/88/29/01/567882901.db2.gz ADNYNTIXBLTVEY-MRXNPFEDSA-N 0 0 282.387 3.623 50 0 CHAARN CCC(=O)Nc1cccc(NC(=O)c2cccs2)c1C ZINC000026031487 567882906 /nfs/dbraw/zinc/88/29/06/567882906.db2.gz KPDBCKKJYBHAEL-UHFFFAOYSA-N 0 0 288.372 3.657 50 0 CHAARN Cc1ccccc1CNC(=O)N[C@@H](C)c1cccs1 ZINC000026244915 567882923 /nfs/dbraw/zinc/88/29/23/567882923.db2.gz DFSPOKXEBMIZQK-LBPRGKRZSA-N 0 0 274.389 3.617 50 0 CHAARN Cc1cc(CS[C@@H](C)C(=O)Nc2cccc(C)c2)no1 ZINC000027191214 567883091 /nfs/dbraw/zinc/88/30/91/567883091.db2.gz GMRZGLXQYMBTLE-LBPRGKRZSA-N 0 0 290.388 3.552 50 0 CHAARN COc1ccc(-c2[nH]c3cc4ccccc4n3c2C)cc1 ZINC000027753693 567883376 /nfs/dbraw/zinc/88/33/76/567883376.db2.gz HSEGVEBIEYIIRU-UHFFFAOYSA-N 0 0 276.339 3.761 50 0 CHAARN Cc1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1 ZINC000028210570 567883406 /nfs/dbraw/zinc/88/34/06/567883406.db2.gz AITCSUJXGINGCQ-UHFFFAOYSA-N 0 0 265.234 3.665 50 0 CHAARN CCCCC1CCC(C(=O)NCc2ccncc2)CC1 ZINC000027749603 567883597 /nfs/dbraw/zinc/88/35/97/567883597.db2.gz OBWUBRGNCNRXNS-UHFFFAOYSA-N 0 0 274.408 3.694 50 0 CHAARN CCCCCNC(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000027605434 567883640 /nfs/dbraw/zinc/88/36/40/567883640.db2.gz XAYZXBSKKVUHAT-UHFFFAOYSA-N 0 0 284.403 3.967 50 0 CHAARN C[C@@H](NC(=O)c1csc2c1CCCC2)c1ccccn1 ZINC000028779917 567883839 /nfs/dbraw/zinc/88/38/39/567883839.db2.gz UEHDEJNZFGPFOT-LLVKDONJSA-N 0 0 286.400 3.513 50 0 CHAARN C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ccccc1 ZINC000028927147 567883946 /nfs/dbraw/zinc/88/39/46/567883946.db2.gz PHDZOWLMOCGQOD-CYBMUJFWSA-N 0 0 291.354 3.568 50 0 CHAARN COc1ccc(N[C@@H](C)CCc2ccc(O)cc2)cc1 ZINC000000182345 567883970 /nfs/dbraw/zinc/88/39/70/567883970.db2.gz VNFOAITYQXMRQH-ZDUSSCGKSA-N 0 0 271.360 3.834 50 0 CHAARN CC1CCC(=CC(=O)N2CCn3cccc3[C@@H]2C)CC1 ZINC000072285160 567884213 /nfs/dbraw/zinc/88/42/13/567884213.db2.gz ASOQFZGXJPKAIV-KZUDCZAMSA-N 0 0 272.392 3.528 50 0 CHAARN O=C(CCc1ccccc1Cl)NCc1ccccc1F ZINC000029698073 567884303 /nfs/dbraw/zinc/88/43/03/567884303.db2.gz WGZXAHMJRHTERV-UHFFFAOYSA-N 0 0 291.753 3.728 50 0 CHAARN Cc1ccc(-c2nc(CSc3nccn3C)co2)c(C)c1 ZINC000030014862 567884311 /nfs/dbraw/zinc/88/43/11/567884311.db2.gz PWGZSENFWWMLCF-UHFFFAOYSA-N 0 0 299.399 3.984 50 0 CHAARN C/C=C/C=C/C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000030468066 567884421 /nfs/dbraw/zinc/88/44/21/567884421.db2.gz FPMCMGCZGLLZNN-DKHWSBQMSA-N 0 0 294.192 3.759 50 0 CHAARN CCc1nc(-c2ccc3c(c2)CCCC(=O)N3)cs1 ZINC000030448237 567884477 /nfs/dbraw/zinc/88/44/77/567884477.db2.gz YJQWUTJLLRBBED-UHFFFAOYSA-N 0 0 272.373 3.647 50 0 CHAARN CC[C@H](C)NC(=O)CCSc1ccc(Cl)cc1 ZINC000002964099 567884535 /nfs/dbraw/zinc/88/45/35/567884535.db2.gz XYKNSTGHJQSNGR-JTQLQIEISA-N 0 0 271.813 3.737 50 0 CHAARN C[C@H]1c2ccsc2CCN1C(=O)Cc1cccc(F)c1 ZINC000030547995 567884641 /nfs/dbraw/zinc/88/46/41/567884641.db2.gz SSDRVDZQIMBFMF-NSHDSACASA-N 0 0 289.375 3.576 50 0 CHAARN Cc1ccc(CN[C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000030643121 567884825 /nfs/dbraw/zinc/88/48/25/567884825.db2.gz AOGVGAGEVYOQTD-GOSISDBHSA-N 0 0 291.398 3.608 50 0 CHAARN Cc1cc2nnc(-c3ccncc3)n2c2cc(Cl)ccc12 ZINC000032576239 567885920 /nfs/dbraw/zinc/88/59/20/567885920.db2.gz VTRUBEBCUWAMGJ-UHFFFAOYSA-N 0 0 294.745 3.906 50 0 CHAARN O=C(c1ccc(-c2ccc(O)cc2)cc1)N1CCCCC1 ZINC000032587371 567886127 /nfs/dbraw/zinc/88/61/27/567886127.db2.gz QOQODQYWGUOWCJ-UHFFFAOYSA-N 0 0 281.355 3.685 50 0 CHAARN CCSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000000264356 567887485 /nfs/dbraw/zinc/88/74/85/567887485.db2.gz QJNDVDONLOFQNJ-UHFFFAOYSA-N 0 0 296.399 3.500 50 0 CHAARN COC(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1 ZINC000000518188 567887806 /nfs/dbraw/zinc/88/78/06/567887806.db2.gz INSKMAHUIVVJLN-UHFFFAOYSA-N 0 0 279.295 3.795 50 0 biogenic CHAARN FC(F)(F)c1cccc(Oc2ccc(Cl)nn2)c1 ZINC000034429752 567887994 /nfs/dbraw/zinc/88/79/94/567887994.db2.gz SKTGNZGOJDGFHX-UHFFFAOYSA-N 0 0 274.629 3.941 50 0 CHAARN c1ccc2c(c1)N=c1cc3c(cc1O2)=Nc1ccccc1O3 ZINC000001723346 567887999 /nfs/dbraw/zinc/88/79/99/567887999.db2.gz AHWXCYJGJOLNFA-UHFFFAOYSA-N 0 0 286.290 3.801 50 0 CHAARN COc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@H](c1ccncc1)N2 ZINC000035360430 567888711 /nfs/dbraw/zinc/88/87/11/567888711.db2.gz VDXDYLVGDYUSRS-JCGIZDLHSA-N 0 0 296.370 3.725 50 0 CHAARN CC(C)(C)OC(=O)Nc1csc(Br)c1 ZINC000034742615 567888723 /nfs/dbraw/zinc/88/87/23/567888723.db2.gz XYKJEMNFRNXVIG-UHFFFAOYSA-N 0 0 278.171 3.858 50 0 CHAARN C[C@H]1CCCCN1C(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000032968924 567889176 /nfs/dbraw/zinc/88/91/76/567889176.db2.gz SKDJIUGEGTYZEO-ZDUSSCGKSA-N 0 0 297.398 3.865 50 0 CHAARN O=c1[nH]nc(-c2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000036961826 567889596 /nfs/dbraw/zinc/88/95/96/567889596.db2.gz GKHJJRRZTWDZJO-UHFFFAOYSA-N 0 0 291.137 3.897 50 0 CHAARN O=C(c1ccc(F)c(F)c1)c1ccccc1Br ZINC000036941599 567889850 /nfs/dbraw/zinc/88/98/50/567889850.db2.gz GSNIMPNFULRTQO-UHFFFAOYSA-N 0 0 297.098 3.958 50 0 CHAARN CC(=O)Oc1ccccc1C(=O)c1ccc(OC(C)C)cc1 ZINC000043209772 567892143 /nfs/dbraw/zinc/89/21/43/567892143.db2.gz UHGVSYCXDYVSAR-UHFFFAOYSA-N 0 0 298.338 3.630 50 0 CHAARN COc1ccccc1[C@H]1CC(=O)Nc2c1cnn2C(C)(C)C ZINC000049545843 567893572 /nfs/dbraw/zinc/89/35/72/567893572.db2.gz BHDITSXBKCBZDL-GFCCVEGCSA-N 0 0 299.374 3.770 50 0 CHAARN COc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2C(C)(C)C ZINC000049545841 567893690 /nfs/dbraw/zinc/89/36/90/567893690.db2.gz BHDITSXBKCBZDL-LBPRGKRZSA-N 0 0 299.374 3.770 50 0 CHAARN Cc1ccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000011128788 567893875 /nfs/dbraw/zinc/89/38/75/567893875.db2.gz YTBCENMRBACPID-KRWDZBQOSA-N 0 0 298.361 3.566 50 0 CHAARN CCC[C@@H](C)NC(=O)CS[C@H](C)c1ccccc1 ZINC000033047594 567894377 /nfs/dbraw/zinc/89/43/77/567894377.db2.gz CYKCUWHRZVGRLR-CHWSQXEVSA-N 0 0 265.422 3.786 50 0 CHAARN C[C@@H]1C(=O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000055483914 567894383 /nfs/dbraw/zinc/89/43/83/567894383.db2.gz IKSGNXSKFBMJLS-SKDZVZGDSA-N 0 0 265.356 3.668 50 0 CHAARN CC(=O)Nc1ccc(NC(=O)C2CCCCC2)c(Cl)c1 ZINC000055557009 567894570 /nfs/dbraw/zinc/89/45/70/567894570.db2.gz PUIPQUPKSXZLCJ-UHFFFAOYSA-N 0 0 294.782 3.817 50 0 CHAARN O=C([C@@H]1CCCS1)N1CCCCC[C@@H]1c1ccco1 ZINC000075201194 567894601 /nfs/dbraw/zinc/89/46/01/567894601.db2.gz LFNWZZIGPMXOHY-OCCSQVGLSA-N 0 0 279.405 3.619 50 0 CHAARN O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cccc(F)c1F ZINC000076017339 567894757 /nfs/dbraw/zinc/89/47/57/567894757.db2.gz QNRIPXBOVDTSEH-UHFFFAOYSA-N 0 0 299.280 3.607 50 0 CHAARN O=C(Nc1ccc(Cl)cc1)c1n[nH]c2c1CCCCC2 ZINC000004625935 567894849 /nfs/dbraw/zinc/89/48/49/567894849.db2.gz BCGSWRRLMUHCGC-UHFFFAOYSA-N 0 0 289.766 3.584 50 0 CHAARN CCOC(=O)c1nc(-c2cc(Cl)ccc2O)sc1C ZINC000096345674 567895193 /nfs/dbraw/zinc/89/51/93/567895193.db2.gz VBERTVYHXIDXRG-UHFFFAOYSA-N 0 0 297.763 3.654 50 0 CHAARN O=[S@](Cc1ccccc1)Cc1c(F)cccc1Cl ZINC000058184118 567895328 /nfs/dbraw/zinc/89/53/28/567895328.db2.gz DHDBZOOWOOVWMK-SFHVURJKSA-N 0 0 282.767 3.928 50 0 CHAARN Cc1noc(C)c1NC(=O)c1cc2ccccc2s1 ZINC000058182709 567895540 /nfs/dbraw/zinc/89/55/40/567895540.db2.gz KLCLCFJRSSNJIT-UHFFFAOYSA-N 0 0 272.329 3.758 50 0 CHAARN C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1nc(-c2ccccc2)c[nH]1 ZINC000058249807 567895679 /nfs/dbraw/zinc/89/56/79/567895679.db2.gz RFFFRIKXVFOSEF-UKRRQHHQSA-N 0 0 295.386 3.610 50 0 CHAARN C[C@H]1CCCN(C(=O)/C=C/c2cccc3cccnc23)CC1 ZINC000058430010 567895779 /nfs/dbraw/zinc/89/57/79/567895779.db2.gz KYNDCGBUPVPNMH-FEAKQIBJSA-N 0 0 294.398 3.897 50 0 CHAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H](C)C(C)C ZINC000059036816 567896333 /nfs/dbraw/zinc/89/63/33/567896333.db2.gz CQJZXRMIMKNRJK-JSGCOSHPSA-N 0 0 292.423 3.945 50 0 CHAARN CC(C)CCC(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000059254057 567896382 /nfs/dbraw/zinc/89/63/82/567896382.db2.gz HAYILVFHIMKNNI-MRXNPFEDSA-N 0 0 274.408 3.962 50 0 CHAARN CCc1nc(COc2ccc(Cl)c(Cl)c2)no1 ZINC000059962079 567896587 /nfs/dbraw/zinc/89/65/87/567896587.db2.gz KRRPKUJHYRKQES-UHFFFAOYSA-N 0 0 273.119 3.518 50 0 CHAARN CN(Cc1cccc(O)c1)C(=O)CC/C=C/c1ccccc1 ZINC000096415611 567897204 /nfs/dbraw/zinc/89/72/04/567897204.db2.gz FYVFHRXIBSGSFV-BJMVGYQFSA-N 0 0 295.382 3.844 50 0 CHAARN FC(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC000064034391 567897657 /nfs/dbraw/zinc/89/76/57/567897657.db2.gz PRJBXUBPUYNFQF-UHFFFAOYSA-N 0 0 267.037 3.955 50 0 CHAARN C[C@H](CO)N(Cc1sccc1Cl)Cc1ccccc1 ZINC000065376245 567898409 /nfs/dbraw/zinc/89/84/09/567898409.db2.gz LFXHWYXKFRFNAT-GFCCVEGCSA-N 0 0 295.835 3.785 50 0 CHAARN CCOc1ccc(-c2c[nH]c(-c3nc(CC)[nH]c3C)n2)cc1 ZINC000065372632 567898495 /nfs/dbraw/zinc/89/84/95/567898495.db2.gz MVEFQTUMHGQFPF-UHFFFAOYSA-N 0 0 296.374 3.736 50 0 CHAARN Cc1ccc([C@H]2CC(=O)Nc3cc(O)ccc32)c(C)c1F ZINC000065431400 567899021 /nfs/dbraw/zinc/89/90/21/567899021.db2.gz KKRMVPKTYCIMEX-CQSZACIVSA-N 0 0 285.318 3.622 50 0 CHAARN Clc1ccc(-n2ccnc2-c2ccccc2)nc1 ZINC000065398991 567899310 /nfs/dbraw/zinc/89/93/10/567899310.db2.gz XRKPNAKPYRFZNQ-UHFFFAOYSA-N 0 0 255.708 3.588 50 0 CHAARN COc1cccc(-c2ccc(NC(=O)C(C)C)cc2)c1OC ZINC000067642370 567900166 /nfs/dbraw/zinc/90/01/66/567900166.db2.gz BMSVDFTZAGNJEH-UHFFFAOYSA-N 0 0 299.370 3.965 50 0 CHAARN Cc1cccc(C)c1OCCn1ccnc1-c1cccnc1 ZINC000067673842 567900209 /nfs/dbraw/zinc/90/02/09/567900209.db2.gz YYTVSHQMBCQBLD-UHFFFAOYSA-N 0 0 293.370 3.641 50 0 CHAARN Cc1cnn(Cc2nc(-c3cccc(Cl)c3)oc2C)c1 ZINC000067788095 567900466 /nfs/dbraw/zinc/90/04/66/567900466.db2.gz SVKGHHXGNAXOAD-UHFFFAOYSA-N 0 0 287.750 3.857 50 0 CHAARN Cc1cc(C(F)(F)F)cc(-c2cccc(O)c2)n1 ZINC000067774280 567900480 /nfs/dbraw/zinc/90/04/80/567900480.db2.gz DCTBEGSBZFXFLT-UHFFFAOYSA-N 0 0 253.223 3.781 50 0 CHAARN C[C@@H](c1ccc(-c2nccn2Cc2ccco2)cc1)[NH+](C)C ZINC000067886056 567900590 /nfs/dbraw/zinc/90/05/90/567900590.db2.gz HGOVIVDEWYLDGZ-AWEZNQCLSA-N 0 0 295.386 3.814 50 0 CHAARN c1c[nH]c(-c2c(-c3ccccc3)ncn2C2CC=CC2)n1 ZINC000067934334 567901105 /nfs/dbraw/zinc/90/11/05/567901105.db2.gz HBGZGWNGLIIJMI-UHFFFAOYSA-N 0 0 276.343 3.831 50 0 CHAARN COc1cccc(Cn2ccnc2-c2ccc(C)o2)c1OC ZINC000067967818 567901211 /nfs/dbraw/zinc/90/12/11/567901211.db2.gz WTSGSVRIMJSVOR-UHFFFAOYSA-N 0 0 298.342 3.517 50 0 CHAARN O[C@@H](c1cccc(F)c1)c1cc(Br)ccc1F ZINC000068860803 567901322 /nfs/dbraw/zinc/90/13/22/567901322.db2.gz WOMAJKXLVYKLBY-ZDUSSCGKSA-N 0 0 299.114 3.809 50 0 CHAARN Fc1cc(Cl)ccc1-c1cnn2c1CCCC2 ZINC000071781522 567902052 /nfs/dbraw/zinc/90/20/52/567902052.db2.gz LAIABLFOCQWZIF-UHFFFAOYSA-N 0 0 250.704 3.679 50 0 CHAARN Cc1ccc([C@H](C)NC(=O)c2ccc3cc[nH]c3c2)o1 ZINC000033230217 567902066 /nfs/dbraw/zinc/90/20/66/567902066.db2.gz CDDUNMSSHQRFFL-NSHDSACASA-N 0 0 268.316 3.560 50 0 CHAARN Cc1ccc(-c2n[nH]cc2CN(C)Cc2ccco2)cc1C ZINC000072426805 567902545 /nfs/dbraw/zinc/90/25/45/567902545.db2.gz SORRFXBJBUEORJ-UHFFFAOYSA-N 0 0 295.386 3.919 50 0 CHAARN CCSc1ccccc1OCc1nnc(SC)s1 ZINC000095438629 567902839 /nfs/dbraw/zinc/90/28/39/567902839.db2.gz HCDHZFDXPFISSK-UHFFFAOYSA-N 0 0 298.458 3.951 50 0 CHAARN C[C@@H](c1nccn1CCC1(O)CCCC1)c1ccccc1 ZINC000072474624 567903000 /nfs/dbraw/zinc/90/30/00/567903000.db2.gz MVINWGRTTXIMLE-OAHLLOKOSA-N 0 0 284.403 3.730 50 0 CHAARN C[C@@H]1CC=CC[C@H]1COC(=O)CSC(C)(C)C ZINC000097044008 567903096 /nfs/dbraw/zinc/90/30/96/567903096.db2.gz SIIRQAUZUOXXTO-NEPJUHHUSA-N 0 0 256.411 3.664 50 0 CHAARN CCc1ccc(C(=O)Nc2cncc(Cl)c2Cl)o1 ZINC000097046997 567903127 /nfs/dbraw/zinc/90/31/27/567903127.db2.gz OWUVEVIBQWENIK-UHFFFAOYSA-N 0 0 285.130 3.796 50 0 CHAARN CSc1ccc2nc(NC[C@@H]3CCCO3)sc2c1 ZINC000075172856 567903533 /nfs/dbraw/zinc/90/35/33/567903533.db2.gz OXWJMTCLKCQGEE-VIFPVBQESA-N 0 0 280.418 3.609 50 0 CHAARN C[C@@H](O)c1ccccc1NC(=O)c1cc2cc(F)ccc2o1 ZINC000097046302 567903680 /nfs/dbraw/zinc/90/36/80/567903680.db2.gz NXTYHVWMQGMHHF-SNVBAGLBSA-N 0 0 299.301 3.878 50 0 CHAARN CCOC(=O)c1cc2c(cccc2Br)s1 ZINC000075903355 567904188 /nfs/dbraw/zinc/90/41/88/567904188.db2.gz SACFTWLVHQBGJQ-UHFFFAOYSA-N 0 0 285.162 3.841 50 0 CHAARN O=C(c1ccccc1-c1cncnc1)N1CCCCCCC1 ZINC000078060206 567903840 /nfs/dbraw/zinc/90/38/40/567903840.db2.gz AZMBQZGWTJLBSU-UHFFFAOYSA-N 0 0 295.386 3.550 50 0 CHAARN O=C(OC1(Cc2ccccc2)CC1)c1ccccc1F ZINC000097095956 567904020 /nfs/dbraw/zinc/90/40/20/567904020.db2.gz CDISKPOQRUZAGG-UHFFFAOYSA-N 0 0 270.303 3.758 50 0 CHAARN CCCCN(CCCC)C(=O)Cc1cccc(F)c1 ZINC000075496703 567904065 /nfs/dbraw/zinc/90/40/65/567904065.db2.gz LPMMDMCLUHLPIS-UHFFFAOYSA-N 0 0 265.372 3.797 50 0 CHAARN CCn1cc(N[C@@H](C)c2ncc(-c3ccccc3)o2)cn1 ZINC000097139794 567905083 /nfs/dbraw/zinc/90/50/83/567905083.db2.gz WWXRJCPCWKWGGD-LBPRGKRZSA-N 0 0 282.347 3.731 50 0 CHAARN Cc1ccc([C@@H](C)CCN(C)Cc2noc(C(C)C)n2)o1 ZINC000077439795 567905474 /nfs/dbraw/zinc/90/54/74/567905474.db2.gz NMVIOBVEWLWIHM-LBPRGKRZSA-N 0 0 291.395 3.720 50 0 CHAARN C[C@@H](NCc1csc([C@H]2CCCO2)n1)c1ccccc1 ZINC000097230625 567905854 /nfs/dbraw/zinc/90/58/54/567905854.db2.gz QYGZJYLBWIKXPZ-IUODEOHRSA-N 0 0 288.416 3.845 50 0 CHAARN Cc1nnc(-c2ccc(N[C@H](C)c3cccnc3)cc2)o1 ZINC000097232155 567905926 /nfs/dbraw/zinc/90/59/26/567905926.db2.gz HPHUDBQLKRONJZ-LLVKDONJSA-N 0 0 280.331 3.613 50 0 CHAARN CCOC(=O)c1nc(-c2ccc(Cl)cc2)sc1C ZINC000135083354 567906112 /nfs/dbraw/zinc/90/61/12/567906112.db2.gz NYVSAPPGVDSYCG-UHFFFAOYSA-N 0 0 281.764 3.949 50 0 CHAARN FC(F)(F)c1ccn(C/C=C\c2ccccc2)n1 ZINC000097257173 567906153 /nfs/dbraw/zinc/90/61/53/567906153.db2.gz KKYZLOLUCDHSPS-DAXSKMNVSA-N 0 0 252.239 3.615 50 0 CHAARN O[C@@H]1Cc2ccccc2[C@H]1c1ccc2oc(C3CC3)nc2c1 ZINC000082125798 567906897 /nfs/dbraw/zinc/90/68/97/567906897.db2.gz VCMILYXGQSUJHB-SJLPKXTDSA-N 0 0 291.350 3.754 50 0 CHAARN CC(C)(C)OC(=O)n1cnc2cc(Br)ccc21 ZINC000089157293 567907544 /nfs/dbraw/zinc/90/75/44/567907544.db2.gz PCGSIEGOWZACDD-UHFFFAOYSA-N 0 0 297.152 3.582 50 0 CHAARN CCCCCNC(=O)Nc1ccc(SC)cc1 ZINC000043867501 567908347 /nfs/dbraw/zinc/90/83/47/567908347.db2.gz URWKKIWMVKMVRL-UHFFFAOYSA-N 0 0 252.383 3.720 50 0 CHAARN O=C(Nc1ccccc1O)c1scc2c1CCCC2 ZINC000000091352 567908711 /nfs/dbraw/zinc/90/87/11/567908711.db2.gz ADTFHCGFDBRSKV-UHFFFAOYSA-N 0 0 273.357 3.585 50 0 CHAARN CC(C)c1cc(N2CCC[C@@H](c3ccccc3)C2)ncn1 ZINC000095359525 567909557 /nfs/dbraw/zinc/90/95/57/567909557.db2.gz DNMMJXOLHOMJGM-MRXNPFEDSA-N 0 0 281.403 3.984 50 0 CHAARN CCCc1noc(-c2oc3cc(OC)ccc3c2C)n1 ZINC000095371237 567909573 /nfs/dbraw/zinc/90/95/73/567909573.db2.gz SSYOUSDDFLPWHN-UHFFFAOYSA-N 0 0 272.304 3.752 50 0 CHAARN CC(C)Sc1ccccc1NC(=O)NC1CCC1 ZINC000096162676 567909828 /nfs/dbraw/zinc/90/98/28/567909828.db2.gz FRDUZPPDXPIWKR-UHFFFAOYSA-N 0 0 264.394 3.861 50 0 CHAARN CCCCn1nc(C)nc1[C@H](C)Oc1cccc(OC)c1 ZINC000096160400 567909834 /nfs/dbraw/zinc/90/98/34/567909834.db2.gz PFZGYUJVYPQCMN-LBPRGKRZSA-N 0 0 289.379 3.535 50 0 CHAARN COC[C@H]1CCC[C@H]1NC(=O)Nc1cccc2ccccc21 ZINC000096136633 567909935 /nfs/dbraw/zinc/90/99/35/567909935.db2.gz UVNMRISDUONBPG-GDBMZVCRSA-N 0 0 298.386 3.776 50 0 CHAARN CC1(C)C(C(=O)Nc2cc(F)ccc2F)C1(C)C ZINC000096319385 567910283 /nfs/dbraw/zinc/91/02/83/567910283.db2.gz NOMIVMKOZMKHHX-UHFFFAOYSA-N 0 0 253.292 3.586 50 0 CHAARN CC1(C)C[C@@H]1C(=O)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000097217336 567910551 /nfs/dbraw/zinc/91/05/51/567910551.db2.gz IAHPZOSWYYXZRY-LLVKDONJSA-N 0 0 289.272 3.507 50 0 CHAARN Cc1ccc(-c2cc(Cl)ccc2OC(C)C)nn1 ZINC000097660513 567910771 /nfs/dbraw/zinc/91/07/71/567910771.db2.gz SOAYBDWJOBTRRQ-UHFFFAOYSA-N 0 0 262.740 3.893 50 0 CHAARN CSc1cccc(C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)c1 ZINC000097604243 567911119 /nfs/dbraw/zinc/91/11/19/567911119.db2.gz YFSRVZWESBGALR-SFHVURJKSA-N 0 0 299.439 3.502 50 0 CHAARN CNC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC000011660141 567911393 /nfs/dbraw/zinc/91/13/93/567911393.db2.gz WWEDKXJVLPQGNP-UHFFFAOYSA-N 0 0 296.345 3.653 50 0 CHAARN O=C1OC(c2ccc(Cl)cc2)=NC1=CNc1ccccc1 ZINC000100396531 567913101 /nfs/dbraw/zinc/91/31/01/567913101.db2.gz QHDIQUPRARUDMD-GXDHUFHOSA-N 0 0 298.729 3.597 50 0 CHAARN Cc1ccsc1C[C@@H]1C(=O)Nc2c1cccc2C ZINC000101016440 567914459 /nfs/dbraw/zinc/91/44/59/567914459.db2.gz OFPHIQMPZHEWME-LBPRGKRZSA-N 0 0 257.358 3.643 50 0 CHAARN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1O ZINC000003075880 567914903 /nfs/dbraw/zinc/91/49/03/567914903.db2.gz SWJAIACONDAXTG-UHFFFAOYSA-N 0 0 261.708 3.606 50 0 CHAARN COc1ccc(Cl)cc1N[C@H]1OC(=O)c2ccccc21 ZINC000000100215 567915069 /nfs/dbraw/zinc/91/50/69/567915069.db2.gz FXBYSFYGZQTEIQ-AWEZNQCLSA-N 0 0 289.718 3.630 50 0 CHAARN Cc1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1Cl ZINC000102592877 567915462 /nfs/dbraw/zinc/91/54/62/567915462.db2.gz DOGDBBHAXPJGES-ZWKOPEQDSA-N 0 0 291.778 3.574 50 0 CHAARN CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(Cl)nc1 ZINC000072211448 567915570 /nfs/dbraw/zinc/91/55/70/567915570.db2.gz LOICPKCCFXHAID-LLVKDONJSA-N 0 0 282.771 3.807 50 0 CHAARN Cc1oc(=O)oc1CN(c1cc(C)ccc1C)C(C)C ZINC000072312085 567917044 /nfs/dbraw/zinc/91/70/44/567917044.db2.gz SUYFBCLDWBYZON-UHFFFAOYSA-N 0 0 275.348 3.573 50 0 CHAARN O=C(NC(C1CC1)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000023352789 567923224 /nfs/dbraw/zinc/92/32/24/567923224.db2.gz XVGQVGFQAXZMOY-UHFFFAOYSA-N 0 0 283.293 3.624 50 0 CHAARN CC(=O)Oc1cc2sc(C)nc2c2sccc21 ZINC000000118204 567923299 /nfs/dbraw/zinc/92/32/99/567923299.db2.gz HAGLXKAYBABTTM-UHFFFAOYSA-N 0 0 263.343 3.745 50 0 CHAARN CCOC(=O)N[C@H]1c2ccccc2Oc2ccc(C)cc21 ZINC000000143948 567923757 /nfs/dbraw/zinc/92/37/57/567923757.db2.gz PFIRRKVRAAJDQE-INIZCTEOSA-N 0 0 283.327 3.936 50 0 CHAARN COc1ccccc1OC(=O)Nc1ccc(Cl)cc1 ZINC000000142987 567923775 /nfs/dbraw/zinc/92/37/75/567923775.db2.gz DDXBWLROOGVYFB-UHFFFAOYSA-N 0 0 277.707 3.960 50 0 CHAARN COc1ccc(-c2nc(Cl)c3ccccc3n2)cc1 ZINC000000149796 567923807 /nfs/dbraw/zinc/92/38/07/567923807.db2.gz CRHKQTMYCDKELI-UHFFFAOYSA-N 0 0 270.719 3.959 50 0 CHAARN CC(C)C[C@H]1CCCC[C@H]1OC(=O)CN1CCCCC1 ZINC000000171875 567924422 /nfs/dbraw/zinc/92/44/22/567924422.db2.gz SIXWBKPDADVZKS-HZPDHXFCSA-N 0 0 281.440 3.620 50 0 CHAARN Oc1ccc(C2(c3ccc(O)cc3)CCCC2)cc1 ZINC000000235823 567925304 /nfs/dbraw/zinc/92/53/04/567925304.db2.gz OVVCSFQRAXVPGT-UHFFFAOYSA-N 0 0 254.329 3.958 50 0 CHAARN CC[C@H](C)NC(=O)c1c(C)c(Cl)c(C)nc1Cl ZINC000000269532 567925637 /nfs/dbraw/zinc/92/56/37/567925637.db2.gz MPTQRQQURAAZGA-LURJTMIESA-N 0 0 275.179 3.534 50 0 CHAARN C[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000000253748 567925689 /nfs/dbraw/zinc/92/56/89/567925689.db2.gz QPOUGHQRILNRSG-CNELAYHGSA-N 0 0 269.319 3.716 50 0 CHAARN F[C@H](OC(F)(F)F)c1nc2cc(Cl)ccc2[nH]1 ZINC000000260874 567925739 /nfs/dbraw/zinc/92/57/39/567925739.db2.gz FMCUEFQDETZCNO-SSDOTTSWSA-N 0 0 268.597 3.721 50 0 CHAARN CCCC(=O)NN1c2ccccc2CCc2ccccc21 ZINC000000285636 567926014 /nfs/dbraw/zinc/92/60/14/567926014.db2.gz QGJDYFNQGFVLJX-UHFFFAOYSA-N 0 0 280.371 3.755 50 0 CHAARN CN(C(=O)/C=C/c1cscn1)c1cccc2ccccc21 ZINC000050341491 567926120 /nfs/dbraw/zinc/92/61/20/567926120.db2.gz WPRKZKRTPOQMBV-MDZDMXLPSA-N 0 0 294.379 3.973 50 0 CHAARN Cc1oc2c(ccc3c2OCCO3)c(=O)c1-c1ccccc1 ZINC000000301230 567926573 /nfs/dbraw/zinc/92/65/73/567926573.db2.gz BFJCFKABYCJIOH-UHFFFAOYSA-N 0 0 294.306 3.540 50 0 CHAARN Cc1nc2ccccc2n1C(=O)c1ccccc1Cl ZINC000000292110 567926586 /nfs/dbraw/zinc/92/65/86/567926586.db2.gz DZVBGFQNGDVNDT-UHFFFAOYSA-N 0 0 270.719 3.687 50 0 CHAARN C[C@@H](CNC(=O)c1cc[nH]c1C1CC1)c1ccc(F)cc1 ZINC000339816140 567926588 /nfs/dbraw/zinc/92/65/88/567926588.db2.gz DXFPZFCZEMIHIT-NSHDSACASA-N 0 0 286.350 3.565 50 0 CHAARN Cc1ccc(OCC2N=NC(=S)N2C2CCCC2)cc1 ZINC000011692625 567926638 /nfs/dbraw/zinc/92/66/38/567926638.db2.gz UIMQWIPLPZHWCU-UHFFFAOYSA-N 0 0 289.404 3.569 50 0 CHAARN CC[C@H](C)N1C(=S)N=NC1COc1ccc(Cl)cc1 ZINC000011692610 567926654 /nfs/dbraw/zinc/92/66/54/567926654.db2.gz RASWHQOZSDOCIN-VIFPVBQESA-N 0 0 297.811 3.770 50 0 CHAARN CC[C@H](C)N1C(=S)N=NC1COc1ccccc1Cl ZINC000011692608 567926853 /nfs/dbraw/zinc/92/68/53/567926853.db2.gz QZBYOJGNPOXJMO-VIFPVBQESA-N 0 0 297.811 3.770 50 0 CHAARN O=C(c1ccon1)N(CCc1ccccc1)c1ccccc1 ZINC000408526098 567927521 /nfs/dbraw/zinc/92/75/21/567927521.db2.gz YDGLHHANTIGJIC-UHFFFAOYSA-N 0 0 292.338 3.564 50 0 CHAARN CCOC(=O)/C=C/c1ccc(-c2cn3ccccc3n2)cc1 ZINC000000387424 567928008 /nfs/dbraw/zinc/92/80/08/567928008.db2.gz MKMQHHZRBWWSPB-DHZHZOJOSA-N 0 0 292.338 3.578 50 0 CHAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCCC[C@H]2C)o1 ZINC000248049448 567928379 /nfs/dbraw/zinc/92/83/79/567928379.db2.gz AOVYCUDSBDWJDJ-NFAWXSAZSA-N 0 0 275.392 3.737 50 0 CHAARN CCCCC1CCC(C(=O)Nc2nc(C)ns2)CC1 ZINC000011917261 567928773 /nfs/dbraw/zinc/92/87/73/567928773.db2.gz YUXNFLRREYTYGB-UHFFFAOYSA-N 0 0 281.425 3.782 50 0 CHAARN CSc1nc2c(c(Nc3ccccc3C)n1)CCC2 ZINC000011907745 567928934 /nfs/dbraw/zinc/92/89/34/567928934.db2.gz JHFCUXMYTPTCDY-UHFFFAOYSA-N 0 0 271.389 3.739 50 0 CHAARN Cc1nc2c(c(Nc3ccc(C)c(C)c3)n1)CCC2 ZINC000011907752 567928941 /nfs/dbraw/zinc/92/89/41/567928941.db2.gz ZYHLVLWBLFMHRA-UHFFFAOYSA-N 0 0 253.349 3.634 50 0 CHAARN Cc1ccc(CNc2nnc(-c3ccco3)o2)c(C)c1 ZINC000134422062 567929472 /nfs/dbraw/zinc/92/94/72/567929472.db2.gz OZTWMKYWCMQJRZ-UHFFFAOYSA-N 0 0 269.304 3.559 50 0 CHAARN CC[C@@H](C)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000028250200 567930278 /nfs/dbraw/zinc/93/02/78/567930278.db2.gz UOJQXIXSMBCJRT-MRVPVSSYSA-N 0 0 296.164 3.724 50 0 CHAARN CC(C)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000000421026 567930285 /nfs/dbraw/zinc/93/02/85/567930285.db2.gz JBYQXSODJROSTF-UHFFFAOYSA-N 0 0 284.388 3.564 50 0 CHAARN O=C1CS[C@@H](c2cccc(F)c2)N1c1ccccc1F ZINC000000424003 567930514 /nfs/dbraw/zinc/93/05/14/567930514.db2.gz OVDFUCKVYRKUSA-HNNXBMFYSA-N 0 0 291.322 3.743 50 0 CHAARN CN(C(=O)c1cscn1)c1cc(Cl)cc(Cl)c1 ZINC000079094225 567930970 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/nfs/dbraw/zinc/93/26/65/567932665.db2.gz XGDPIWHPOODAQQ-UHFFFAOYSA-N 0 0 268.341 3.857 50 0 CHAARN CC(C)(C)CC(C)(C)NC(=O)c1ccc2nsnc2c1 ZINC000005383616 567932724 /nfs/dbraw/zinc/93/27/24/567932724.db2.gz QWZTXVAZVZEFTI-UHFFFAOYSA-N 0 0 291.420 3.636 50 0 CHAARN CCc1ccc2occ(CC(=O)Nc3nccs3)c2c1 ZINC000016527129 567933234 /nfs/dbraw/zinc/93/32/34/567933234.db2.gz ZEUFCLSWKVOONA-UHFFFAOYSA-N 0 0 286.356 3.633 50 0 CHAARN Cc1cc(C)c(C(=O)NCC[C@H]2CCO[C@H](C)C2)c(C)c1 ZINC000273542954 567933534 /nfs/dbraw/zinc/93/35/34/567933534.db2.gz LOXTWNBATVQXCY-CVEARBPZSA-N 0 0 289.419 3.547 50 0 CHAARN CCOc1ccccc1NC(=O)[C@H](C)c1ccccc1 ZINC000000475900 567934325 /nfs/dbraw/zinc/93/43/25/567934325.db2.gz GILNCGJOKNAIRF-CYBMUJFWSA-N 0 0 269.344 3.828 50 0 CHAARN Cc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)c(O)c1 ZINC000017410358 567934966 /nfs/dbraw/zinc/93/49/66/567934966.db2.gz PJKSSYPZHPPQFY-UHFFFAOYSA-N 0 0 292.338 3.744 50 0 CHAARN CC(C)c1ccccc1OCC(=O)Nc1ccc(F)cc1 ZINC000000133491 567935337 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3.920 50 0 CHAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000000619863 567936815 /nfs/dbraw/zinc/93/68/15/567936815.db2.gz KOLQVCZHFNHUEM-MRXNPFEDSA-N 0 0 271.335 3.953 50 0 CHAARN Cc1occc1[S@@](=O)Cc1coc(-c2cccs2)n1 ZINC000189611602 567938821 /nfs/dbraw/zinc/93/88/21/567938821.db2.gz LAWZVCYBTPPWIR-IBGZPJMESA-N 0 0 293.369 3.612 50 0 CHAARN CC(C)=CCC[C@@]12CC[C@@](COC(C)=O)(CO1)[C@H](C)C2 ZINC000000485594 567939145 /nfs/dbraw/zinc/93/91/45/567939145.db2.gz AXJOCLMFQAZKPU-OIISXLGYSA-N 0 0 280.408 3.871 50 0 biogenic CHAARN Fc1ccc2c(c1)-c1cc3c(cc1=N2)-c1cc(F)ccc1N=3 ZINC000169725887 567939509 /nfs/dbraw/zinc/93/95/09/567939509.db2.gz QMRXLIAKUDYFCF-UHFFFAOYSA-N 0 0 290.272 3.828 50 0 CHAARN O=C(CC12CC3CC(CC(C3)C1)C2)NC1CCCC1 ZINC000010409776 567939824 /nfs/dbraw/zinc/93/98/24/567939824.db2.gz JQARDHJTUNOLMX-UHFFFAOYSA-N 0 0 261.409 3.652 50 0 CHAARN CSc1ccc(NC(=O)COc2ccc(F)cc2)cc1 ZINC000011229628 567939919 /nfs/dbraw/zinc/93/99/19/567939919.db2.gz DDHZNTXZDFRUHH-UHFFFAOYSA-N 0 0 291.347 3.565 50 0 CHAARN C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccncc1 ZINC000018171995 567940068 /nfs/dbraw/zinc/94/00/68/567940068.db2.gz CQCPUQYNMNGODU-SNVBAGLBSA-N 0 0 275.739 3.618 50 0 CHAARN Cc1oc2ccc(O)cc2c1C(=O)c1ccc(C)cc1 ZINC000000499689 567940140 /nfs/dbraw/zinc/94/01/40/567940140.db2.gz ADKYMHQFXZVDKW-UHFFFAOYSA-N 0 0 266.296 3.986 50 0 CHAARN CCC(=O)Nc1ccc(NC(=O)c2ccc(CC)cc2)cc1 ZINC000012651460 567940343 /nfs/dbraw/zinc/94/03/43/567940343.db2.gz RLFWJONUZDITJM-UHFFFAOYSA-N 0 0 296.370 3.850 50 0 CHAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccoc1 ZINC000018185383 567940527 /nfs/dbraw/zinc/94/05/27/567940527.db2.gz ALCYZWSGNNRMMM-UHFFFAOYSA-N 0 0 255.195 3.551 50 0 CHAARN Brc1ccoc1-c1nc(-c2ccccc2)no1 ZINC000018208936 567940567 /nfs/dbraw/zinc/94/05/67/567940567.db2.gz CGKNVAIEQWYLQX-UHFFFAOYSA-N 0 0 291.104 3.759 50 0 CHAARN CCC[C@H]1[C@@H](C)CCCN1C(=O)CCc1cscn1 ZINC000081179283 567940847 /nfs/dbraw/zinc/94/08/47/567940847.db2.gz LZCMNAXMKRTWKM-JSGCOSHPSA-N 0 0 280.437 3.503 50 0 CHAARN Cc1nc2ccccc2n1CCCOc1ccccc1 ZINC000013017783 567940978 /nfs/dbraw/zinc/94/09/78/567940978.db2.gz RHCRTVNVYZASSY-UHFFFAOYSA-N 0 0 266.344 3.814 50 0 CHAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2)c(C)c1 ZINC000013328781 567941279 /nfs/dbraw/zinc/94/12/79/567941279.db2.gz NGNCHJVZINZYPS-CYBMUJFWSA-N 0 0 271.335 3.934 50 0 CHAARN Cc1ccc([C@H](C)NC(=O)c2ccc(F)cc2)c(C)c1 ZINC000013328783 567941332 /nfs/dbraw/zinc/94/13/32/567941332.db2.gz NGNCHJVZINZYPS-ZDUSSCGKSA-N 0 0 271.335 3.934 50 0 CHAARN COc1ccc(NC(=S)Nc2ccccc2)c(OC)c1 ZINC000013634504 567942211 /nfs/dbraw/zinc/94/22/11/567942211.db2.gz SXBQYNMIGKPEMS-UHFFFAOYSA-N 0 0 288.372 3.513 50 0 CHAARN Cc1ccc(-c2cc(=O)c3cc(F)ccc3o2)cc1 ZINC000000539170 567942860 /nfs/dbraw/zinc/94/28/60/567942860.db2.gz NWWFIIITDUUKLS-UHFFFAOYSA-N 0 0 254.260 3.908 50 0 biogenic CHAARN Cc1cc(C)n([C@@H]2CCCC[C@@H]2OC(=O)c2ccccc2)n1 ZINC000000552186 567943105 /nfs/dbraw/zinc/94/31/05/567943105.db2.gz HERYUPICABEHNB-SJORKVTESA-N 0 0 298.386 3.841 50 0 CHAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc(C)c(C)s2)C1(C)C ZINC000024541722 567943352 /nfs/dbraw/zinc/94/33/52/567943352.db2.gz RBPJHZRHEPDCCT-RYUDHWBXSA-N 0 0 278.421 3.937 50 0 CHAARN Cc1ccc(S[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000000572052 567943517 /nfs/dbraw/zinc/94/35/17/567943517.db2.gz LNNKWPONYAGVFO-ZDUSSCGKSA-N 0 0 277.433 3.925 50 0 CHAARN Cc1ccc(CC(=O)Nc2c(C)cccc2C)cc1 ZINC000000578088 567943757 /nfs/dbraw/zinc/94/37/57/567943757.db2.gz LWKIWFHQPWOSMN-UHFFFAOYSA-N 0 0 253.345 3.793 50 0 CHAARN CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C)O2 ZINC000034581557 567943846 /nfs/dbraw/zinc/94/38/46/567943846.db2.gz ZHPQAZUCRPLHHP-UHFFFAOYSA-N 0 0 262.349 3.641 50 0 CHAARN O=C(CCSc1ccc(F)cc1)NCc1ccccc1 ZINC000004496859 567944372 /nfs/dbraw/zinc/94/43/72/567944372.db2.gz SZAHFRVPBXJBJQ-UHFFFAOYSA-N 0 0 289.375 3.624 50 0 CHAARN Cc1cc(NC(=O)CC(F)(F)F)ccc1Br ZINC000019505359 567944870 /nfs/dbraw/zinc/94/48/70/567944870.db2.gz IBKMOUJJKLNGHC-UHFFFAOYSA-N 0 0 296.086 3.648 50 0 CHAARN O=C1O[C@@H](c2ccccc2Cl)NC1=Cc1ccccc1 ZINC000019911401 567946336 /nfs/dbraw/zinc/94/63/36/567946336.db2.gz QSEABSCVRPFDRK-IPJDOKCGSA-N 0 0 285.730 3.526 50 0 CHAARN COc1cc(Cl)ccc1C(=O)NCc1ccc(C)cc1 ZINC000049412215 567946876 /nfs/dbraw/zinc/94/68/76/567946876.db2.gz RWHSCJDWIWKLMZ-UHFFFAOYSA-N 0 0 289.762 3.587 50 0 CHAARN Cc1cc(C)n([C@@H](C)c2nc(C3CCCCC3)no2)n1 ZINC000113712596 567946935 /nfs/dbraw/zinc/94/69/35/567946935.db2.gz GGBFPZZYVDLHMI-LBPRGKRZSA-N 0 0 274.368 3.540 50 0 CHAARN C[C@H](c1cc(C(=O)N2CCCCCC2)on1)c1ccccc1 ZINC000012280272 567947088 /nfs/dbraw/zinc/94/70/88/567947088.db2.gz BXFXTYXNEWPOGX-AWEZNQCLSA-N 0 0 298.386 3.843 50 0 CHAARN CC[C@H](Nc1ncnc2nc[nH]c21)c1ccc(Cl)cc1 ZINC000051618916 567947597 /nfs/dbraw/zinc/94/75/97/567947597.db2.gz WEQDKSWNQQHQAL-NSHDSACASA-N 0 0 287.754 3.570 50 0 CHAARN Cc1ccc(F)c(C(=O)N(C)[C@H](C)c2cccnc2)c1F ZINC000216295045 567947600 /nfs/dbraw/zinc/94/76/00/567947600.db2.gz HPCHPWJJCYPRPR-LLVKDONJSA-N 0 0 290.313 3.501 50 0 CHAARN 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CCc1ccc(-c2nc(Cc3ccccc3)no2)cc1 ZINC000001005060 169685559 /nfs/dbraw/zinc/68/55/59/169685559.db2.gz DZTIVHWEBJYARX-UHFFFAOYSA-N 0 0 264.328 3.890 50 0 CHAARN C[C@H]1C[C@H](NC(=O)c2cccs2)CC(C)(C)C1 ZINC000001030411 169686644 /nfs/dbraw/zinc/68/66/44/169686644.db2.gz TVPKFTKNVSYTLO-QWRGUYRKSA-N 0 0 251.395 3.693 50 0 CHAARN Cc1c2ccccc2oc1C(=O)N[C@@H](C)c1ccncc1 ZINC000001055741 169687861 /nfs/dbraw/zinc/68/78/61/169687861.db2.gz AQEKEURITODLTD-LBPRGKRZSA-N 0 0 280.327 3.627 50 0 CHAARN Cc1c2cc(F)ccc2oc1C(=O)NCc1ccccc1 ZINC000001057178 169688158 /nfs/dbraw/zinc/68/81/58/169688158.db2.gz UBBNPSJHUARTQA-UHFFFAOYSA-N 0 0 283.302 3.810 50 0 CHAARN CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 ZINC000001058794 169688547 /nfs/dbraw/zinc/68/85/47/169688547.db2.gz GHIUIOOTBMJUDZ-KRWDZBQOSA-N 0 0 267.372 3.746 50 0 CHAARN CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1C ZINC000001077267 169689704 /nfs/dbraw/zinc/68/97/04/169689704.db2.gz NLQHAMDSFLGUTD-HNNXBMFYSA-N 0 0 284.384 3.754 50 0 CHAARN 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ZINC000040266170 174218066 /nfs/dbraw/zinc/21/80/66/174218066.db2.gz KYCJTTNAUDXFQC-UHFFFAOYSA-N 0 0 292.338 3.633 50 0 CHAARN CSc1nc2nccc(-c3cccc4ccccc43)n2n1 ZINC000040285535 174219069 /nfs/dbraw/zinc/21/90/69/174219069.db2.gz WZISDNWOODJPIT-UHFFFAOYSA-N 0 0 292.367 3.666 50 0 CHAARN CC(C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000040286466 174219164 /nfs/dbraw/zinc/21/91/64/174219164.db2.gz TVRRSLFSUDXXLW-UHFFFAOYSA-N 0 0 285.269 3.566 50 0 CHAARN O=C1Nc2ccccc2/C1=C/c1ccc2ncccc2c1 ZINC000040313335 174231654 /nfs/dbraw/zinc/23/16/54/174231654.db2.gz NRUSUSGSMWNSBP-PTNGSMBKSA-N 0 0 272.307 3.728 50 0 biogenic CHAARN FC(F)(F)c1ccc(Nc2ccnc(Cl)n2)cc1 ZINC000040448063 174265483 /nfs/dbraw/zinc/26/54/83/174265483.db2.gz NCJRMIBMSVWSQY-UHFFFAOYSA-N 0 0 273.645 3.892 50 0 CHAARN COc1ccc(OC)c(Sc2ccccc2C=O)c1 ZINC000040450080 174265718 /nfs/dbraw/zinc/26/57/18/174265718.db2.gz JHVPUCDIQAZGHY-UHFFFAOYSA-N 0 0 274.341 3.668 50 0 CHAARN CC(C)(C)OC(=O)N1CCC(=Cc2cccc(O)c2)CC1 ZINC000040449962 174265868 /nfs/dbraw/zinc/26/58/68/174265868.db2.gz MNSYEWZEZPNKJN-UHFFFAOYSA-N 0 0 289.375 3.807 50 0 CHAARN CC(C)c1noc(CN(C)[C@H](C)c2ccc(F)cc2)n1 ZINC000040489644 174290520 /nfs/dbraw/zinc/29/05/20/174290520.db2.gz HLONPDKWWHCJSF-LLVKDONJSA-N 0 0 277.343 3.525 50 0 CHAARN Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@@H](C)C1CC1 ZINC000040490147 174291401 /nfs/dbraw/zinc/29/14/01/174291401.db2.gz CXUIDKGSIWGFHP-NSHDSACASA-N 0 0 284.359 3.521 50 0 CHAARN CCc1cccc(C)c1NC(=O)N[C@H](C)c1ccncc1 ZINC000040525497 174313639 /nfs/dbraw/zinc/31/36/39/174313639.db2.gz XEEVJTJBEAYXGW-CYBMUJFWSA-N 0 0 283.375 3.835 50 0 CHAARN C[C@H]1CN(C(=O)Nc2ccccc2C(C)(C)C)C[C@H](C)O1 ZINC000040526143 174314141 /nfs/dbraw/zinc/31/41/41/174314141.db2.gz KLEUMUXOVZYXAB-STQMWFEESA-N 0 0 290.407 3.625 50 0 CHAARN COCc1ccccc1NC(=O)NC1CCC(C)CC1 ZINC000040527936 174315211 /nfs/dbraw/zinc/31/52/11/174315211.db2.gz LZOZDJXBHCNHBZ-UHFFFAOYSA-N 0 0 276.380 3.533 50 0 CHAARN Cc1occc1C(=O)N1CCC[C@H]1c1ccsc1 ZINC000040534481 174319493 /nfs/dbraw/zinc/31/94/93/174319493.db2.gz ZBEWDMRUXMPXAL-ZDUSSCGKSA-N 0 0 261.346 3.627 50 0 CHAARN O=C(Nc1ccc(Oc2cnccn2)cc1)c1ccsc1 ZINC000040536021 174320248 /nfs/dbraw/zinc/32/02/48/174320248.db2.gz QASKXFWHZVTDLO-UHFFFAOYSA-N 0 0 297.339 3.583 50 0 CHAARN Cc1occc1-c1nnc(SC2CCCC2)o1 ZINC000041384778 174541526 /nfs/dbraw/zinc/54/15/26/174541526.db2.gz OXRQPXKLPYJJKX-UHFFFAOYSA-N 0 0 250.323 3.673 50 0 CHAARN CCc1cccc(NC(=O)N[C@@H](C)c2ccncc2)c1 ZINC000043333771 175010759 /nfs/dbraw/zinc/01/07/59/175010759.db2.gz MWJFBNBOQBHCAC-LBPRGKRZSA-N 0 0 269.348 3.527 50 0 CHAARN O=C(Nc1ccccc1Cc1ccccc1)N1CCCC1 ZINC000043339650 175013669 /nfs/dbraw/zinc/01/36/69/175013669.db2.gz MBINJCZRJJEJSD-UHFFFAOYSA-N 0 0 280.371 3.905 50 0 CHAARN CC[C@@H](C)NC(=O)Nc1ccccc1SC(F)F ZINC000043552857 175064667 /nfs/dbraw/zinc/06/46/67/175064667.db2.gz UPPUWJPGROWZMA-MRVPVSSYSA-N 0 0 274.336 3.921 50 0 CHAARN Cc1ccc([C@H](C)NC(=O)c2cc3c(cccc3F)[nH]2)o1 ZINC000044011996 175138024 /nfs/dbraw/zinc/13/80/24/175138024.db2.gz WELSODBVVRDNBZ-JTQLQIEISA-N 0 0 286.306 3.699 50 0 CHAARN O=C(c1ccco1)N(Cc1ccsc1)CC(F)(F)F ZINC000044447433 175176525 /nfs/dbraw/zinc/17/65/25/175176525.db2.gz FQSCKBUZCGHRMZ-UHFFFAOYSA-N 0 0 289.278 3.546 50 0 CHAARN CCOC(=O)Nc1ccc(NC(=O)c2ccsc2)cc1 ZINC000044604974 175215807 /nfs/dbraw/zinc/21/58/07/175215807.db2.gz PSHHKPRRJICPJH-UHFFFAOYSA-N 0 0 290.344 3.569 50 0 CHAARN Cc1nc(C)c(C(=O)Oc2ccc3ccncc3c2)s1 ZINC000044815536 175258580 /nfs/dbraw/zinc/25/85/80/175258580.db2.gz LKTWUPYBLFMEQB-UHFFFAOYSA-N 0 0 284.340 3.527 50 0 CHAARN Cc1cc(Cl)nc(Nc2ccc(C)c(F)c2)n1 ZINC000044845926 175264500 /nfs/dbraw/zinc/26/45/00/175264500.db2.gz PUZYWKVHJYHJSB-UHFFFAOYSA-N 0 0 251.692 3.630 50 0 CHAARN O=C(NCc1ccc(F)cc1F)Nc1cccc(Cl)c1 ZINC000044845719 175264628 /nfs/dbraw/zinc/26/46/28/175264628.db2.gz LQRAXOZTWDKRKY-UHFFFAOYSA-N 0 0 296.704 3.940 50 0 CHAARN Cc1nc(C)c(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)s1 ZINC000044890190 175272664 /nfs/dbraw/zinc/27/26/64/175272664.db2.gz IODSOIIHUBVOLW-JTQLQIEISA-N 0 0 292.379 3.732 50 0 CHAARN Cc1ccc(C(=O)N[C@@H](C)c2sc(C)nc2C)s1 ZINC000044979601 175283193 /nfs/dbraw/zinc/28/31/93/175283193.db2.gz JFKCPOLDHIPULZ-VIFPVBQESA-N 0 0 280.418 3.621 50 0 CHAARN Cc1cc(CNCc2ccc(-c3ccccc3)cc2)on1 ZINC000044985389 175284585 /nfs/dbraw/zinc/28/45/85/175284585.db2.gz CPRXOPPECPROCQ-UHFFFAOYSA-N 0 0 278.355 3.940 50 0 CHAARN Cc1nn(C)c(C)c1NC(=O)CCCC1CCCCC1 ZINC000045000132 175287816 /nfs/dbraw/zinc/28/78/16/175287816.db2.gz VINIZNBTVNUDIS-UHFFFAOYSA-N 0 0 277.412 3.726 50 0 CHAARN NC(=O)/C=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000045016358 175291424 /nfs/dbraw/zinc/29/14/24/175291424.db2.gz OOCDBPCZWQPKJV-RQOWECAXSA-N 0 0 282.126 3.752 50 0 CHAARN Cc1cccc(C(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000045028467 175293268 /nfs/dbraw/zinc/29/32/68/175293268.db2.gz BYQUXXXOMPAABD-UHFFFAOYSA-N 0 0 265.234 3.640 50 0 CHAARN Fc1cc(Br)ccc1-c1ccccn1 ZINC000045028358 175293493 /nfs/dbraw/zinc/29/34/93/175293493.db2.gz IEVHCVMHZVDWDG-UHFFFAOYSA-N 0 0 252.086 3.650 50 0 CHAARN Cc1cccnc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000045028698 175293680 /nfs/dbraw/zinc/29/36/80/175293680.db2.gz HFTWJLDLMAYNPA-UHFFFAOYSA-N 0 0 266.127 3.928 50 0 CHAARN CCCCc1ccc(C(=O)c2ncccc2C)cc1 ZINC000045028680 175293788 /nfs/dbraw/zinc/29/37/88/175293788.db2.gz OYXNFGSUQRCZDI-UHFFFAOYSA-N 0 0 253.345 3.964 50 0 CHAARN O=C(c1ccc(Cl)nc1)c1cccc(C(F)(F)F)c1 ZINC000045038698 175294959 /nfs/dbraw/zinc/29/49/59/175294959.db2.gz HVZFAPOUXFVZBF-UHFFFAOYSA-N 0 0 285.652 3.985 50 0 CHAARN Cc1cc(C(=O)c2cccc(Cl)c2Cl)ccn1 ZINC000045038596 175295170 /nfs/dbraw/zinc/29/51/70/175295170.db2.gz ANHVXWSONQHKSE-UHFFFAOYSA-N 0 0 266.127 3.928 50 0 CHAARN CC(C)[C@H](NC(=O)Nc1ccccn1)c1cccs1 ZINC000045123730 175312239 /nfs/dbraw/zinc/31/22/39/175312239.db2.gz CAJPHCLSJJMEPA-ZDUSSCGKSA-N 0 0 275.377 3.662 50 0 CHAARN C[C@@H]1CCC[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000045204756 175327091 /nfs/dbraw/zinc/32/70/91/175327091.db2.gz IGGVVPUTYUSMEG-CDJLDAARSA-N 0 0 275.436 3.898 50 0 CHAARN CN(C(=O)Cc1ccsc1)[C@@H]1CCCc2ccccc21 ZINC000045294110 175354420 /nfs/dbraw/zinc/35/44/20/175354420.db2.gz FCGPTAXTVDSJHD-MRXNPFEDSA-N 0 0 285.412 3.827 50 0 CHAARN CCN(Cc1ccco1)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC000045380842 175369639 /nfs/dbraw/zinc/36/96/39/175369639.db2.gz MKDGVGXFMQCAFX-UHFFFAOYSA-N 0 0 282.343 3.732 50 0 CHAARN O=C(C[C@@H]1CCCO1)N[C@H](c1cccs1)C1CCCC1 ZINC000047110378 175404159 /nfs/dbraw/zinc/40/41/59/175404159.db2.gz SFXUUZPDRXCBQE-BBRMVZONSA-N 0 0 293.432 3.665 50 0 CHAARN CN(C(=O)CCc1ccc(-c2ccccc2)o1)C1CC1 ZINC000048344255 175429368 /nfs/dbraw/zinc/42/93/68/175429368.db2.gz UJWGQAIPUUCBPB-UHFFFAOYSA-N 0 0 269.344 3.500 50 0 CHAARN O=C1CCc2cc(-c3csc(C4CC4)n3)c(F)cc2N1 ZINC000048640323 175440835 /nfs/dbraw/zinc/44/08/35/175440835.db2.gz NIOOXVSSNFHISF-UHFFFAOYSA-N 0 0 288.347 3.711 50 0 CHAARN Cc1cc([C@@H](C(=O)[O-])[NH+]2CCCCCCC2)ccc1F ZINC000055060961 175568253 /nfs/dbraw/zinc/56/82/53/175568253.db2.gz OZWKLDWREKFZDU-HNNXBMFYSA-N 0 0 279.355 3.526 50 0 CHAARN CCCC[C@H](CC)CNC(=O)c1c(F)cccc1F ZINC000055527439 175580284 /nfs/dbraw/zinc/58/02/84/175580284.db2.gz HDHBTWHTBUZQQN-NSHDSACASA-N 0 0 269.335 3.911 50 0 CHAARN O=C(NC[C@H]1CCCOC1)c1ccccc1-c1ccccc1 ZINC000055919906 175582230 /nfs/dbraw/zinc/58/22/30/175582230.db2.gz MLSMYOWPSCFERC-OAHLLOKOSA-N 0 0 295.382 3.510 50 0 CHAARN C/C(=C\C(=O)N1CCC[C@@H]1c1ccccn1)c1ccccc1 ZINC000056276237 175584098 /nfs/dbraw/zinc/58/40/98/175584098.db2.gz WATPPVUIGFIWNP-LGHUBQEGSA-N 0 0 292.382 3.849 50 0 CHAARN CC[C@H](Nc1ncnc2c(C)nn(CC)c21)c1ccccc1 ZINC000057280194 175590939 /nfs/dbraw/zinc/59/09/39/175590939.db2.gz ISYNJKCRXMGMBK-AWEZNQCLSA-N 0 0 295.390 3.718 50 0 CHAARN CC(=O)Nc1ccc(Cl)cc1NCc1c(C)noc1C ZINC000058245715 175613465 /nfs/dbraw/zinc/61/34/65/175613465.db2.gz CDQVBINWCCMABB-UHFFFAOYSA-N 0 0 293.754 3.515 50 0 CHAARN CCOC(=O)c1cccnc1/C=C/c1cccc(F)c1 ZINC000058246990 175613667 /nfs/dbraw/zinc/61/36/67/175613667.db2.gz QXYBVHXWYVMASN-CMDGGOBGSA-N 0 0 271.291 3.568 50 0 CHAARN Cc1ccc(CC(=O)N(C)c2ccc3ccccc3c2)cn1 ZINC000058394226 175623241 /nfs/dbraw/zinc/62/32/41/175623241.db2.gz USHGYQAXKRAKFQ-UHFFFAOYSA-N 0 0 290.366 3.749 50 0 CHAARN Cc1ncc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)s1 ZINC000058434113 175625197 /nfs/dbraw/zinc/62/51/97/175625197.db2.gz OQOKMOZGBPSBBU-UHFFFAOYSA-N 0 0 299.355 3.722 50 0 CHAARN O=C(/C=C/c1ccco1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000058439557 175625549 /nfs/dbraw/zinc/62/55/49/175625549.db2.gz VCLPIAKULPYYLI-SOFGYWHQSA-N 0 0 294.310 3.950 50 0 CHAARN Cc1cccc(NCc2ccn(-c3ccccc3)n2)c1 ZINC000061640852 175652087 /nfs/dbraw/zinc/65/20/87/175652087.db2.gz UNENMMSIOVJFCC-UHFFFAOYSA-N 0 0 263.344 3.793 50 0 CHAARN O[C@@H](c1c(F)cncc1Br)C1CCCCC1 ZINC000062152101 175665350 /nfs/dbraw/zinc/66/53/50/175665350.db2.gz GNFNLOGQSXGZQQ-GFCCVEGCSA-N 0 0 288.160 3.597 50 0 CHAARN Cc1ccc2nc(NCc3ccccn3)sc2c1 ZINC000062716562 175672994 /nfs/dbraw/zinc/67/29/94/175672994.db2.gz JFVWWNPAZRHCAE-UHFFFAOYSA-N 0 0 255.346 3.612 50 0 CHAARN CC[C@@H](C)NC(=O)N1CCc2cn(CC)c3cccc(c23)C1 ZINC000065149005 175701139 /nfs/dbraw/zinc/70/11/39/175701139.db2.gz STURXAGRMDJHKA-CYBMUJFWSA-N 0 0 299.418 3.527 50 0 CHAARN CCC[C@@H](NC(=O)c1oc(CC)nc1C)c1cccs1 ZINC000065372605 175723674 /nfs/dbraw/zinc/72/36/74/175723674.db2.gz MGXPNMIFKBMSAU-LLVKDONJSA-N 0 0 292.404 3.878 50 0 CHAARN CCCCN(CCO)C(=O)Nc1c(C)cccc1C(C)C ZINC000065554594 175750889 /nfs/dbraw/zinc/75/08/89/175750889.db2.gz UGCNLRZEXNCVAD-UHFFFAOYSA-N 0 0 292.423 3.745 50 0 CHAARN COc1ccccc1NC(=O)Cc1cccc(Cl)c1 ZINC000067786227 175790927 /nfs/dbraw/zinc/79/09/27/175790927.db2.gz OKJDBVFMKMQTRH-UHFFFAOYSA-N 0 0 275.735 3.530 50 0 CHAARN Cc1cccc(-c2ccc(C(=O)N3CCCC3)cn2)c1C ZINC000067981705 175805409 /nfs/dbraw/zinc/80/54/09/175805409.db2.gz VRUJOBPKEJCWPZ-UHFFFAOYSA-N 0 0 280.371 3.601 50 0 CHAARN CC(=O)c1ccc(Oc2nccc(C(F)(F)F)n2)c(C)c1 ZINC000069656747 175846064 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ZINC000000210256 567822454 /nfs/dbraw/zinc/82/24/54/567822454.db2.gz FZFMACOVHQCFGO-LLVKDONJSA-N 0 0 286.762 3.791 50 0 CHAARN O=c1oc2c(cc(O)cc2-c2ccc(Cl)cc2)s1 ZINC000000216593 567822662 /nfs/dbraw/zinc/82/26/62/567822662.db2.gz KWSFARAVCWJNKK-UHFFFAOYSA-N 0 0 278.716 3.881 50 0 CHAARN CC(=O)Nc1ccc(/C=C/c2ccc(NC(C)=O)cc2)cc1 ZINC000000247928 567822870 /nfs/dbraw/zinc/82/28/70/567822870.db2.gz UVPMLXBZUJILHQ-ONEGZZNKSA-N 0 0 294.354 3.774 50 0 CHAARN COc1cccc2c1O[C@@H]1c3ccccc3O[C@H]2[C@H]1C ZINC000000246909 567822930 /nfs/dbraw/zinc/82/29/30/567822930.db2.gz XIEVWUKEQUCDRJ-HNHYXYPQSA-N 0 0 268.312 3.899 50 0 biogenic CHAARN COCc1nc2ccccc2n1CCOc1ccccc1C ZINC000000246961 567822983 /nfs/dbraw/zinc/82/29/83/567822983.db2.gz NKFRRLLMZYDISQ-UHFFFAOYSA-N 0 0 296.370 3.570 50 0 CHAARN O=C(Nc1cccc(F)c1)[C@H]1C[C@H]1c1ccccc1 ZINC000000236356 567822995 /nfs/dbraw/zinc/82/29/95/567822995.db2.gz NQRCLKGRUZQTRB-GJZGRUSLSA-N 0 0 255.292 3.568 50 0 CHAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1O 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/nfs/dbraw/zinc/82/42/23/567824223.db2.gz IRCMLGWLZHMHNE-UHFFFAOYSA-N 0 0 288.734 3.551 50 0 CHAARN CC(C)c1nnc(NC(=O)C[C@H](C)c2ccccc2)s1 ZINC000000298950 567824229 /nfs/dbraw/zinc/82/42/29/567824229.db2.gz WBTGEAWVSDZWFU-NSHDSACASA-N 0 0 289.404 3.794 50 0 CHAARN COc1ccc(C(=O)c2ccc(Br)cc2)cc1 ZINC000000297123 567824264 /nfs/dbraw/zinc/82/42/64/567824264.db2.gz VFMPCNWWYIQPCN-UHFFFAOYSA-N 0 0 291.144 3.689 50 0 CHAARN O=C(COc1ccc(F)cc1)Oc1ccc2ccccc2c1 ZINC000000302309 567824526 /nfs/dbraw/zinc/82/45/26/567824526.db2.gz DWEZICKLNQRTLY-UHFFFAOYSA-N 0 0 296.297 3.963 50 0 CHAARN S=C(NCc1cccnc1)Nc1cccc2ccccc21 ZINC000000302201 567824539 /nfs/dbraw/zinc/82/45/39/567824539.db2.gz ONDUHXKSNSZXCS-UHFFFAOYSA-N 0 0 293.395 3.721 50 0 CHAARN CC(=O)c1cccc(NC(=O)Oc2ccccc2)c1 ZINC000000307660 567824835 /nfs/dbraw/zinc/82/48/35/567824835.db2.gz VVPGDYGBBPJWFP-UHFFFAOYSA-N 0 0 255.273 3.500 50 0 CHAARN Cc1ccc2nsnc2c1NC(=O)C1CCCCC1 ZINC000000309198 567825021 /nfs/dbraw/zinc/82/50/21/567825021.db2.gz 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3.789 50 0 CHAARN Cc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(C)c1 ZINC000000362307 567826726 /nfs/dbraw/zinc/82/67/26/567826726.db2.gz KNUDYPWOUJPHIU-UHFFFAOYSA-N 0 0 283.371 3.938 50 0 CHAARN CC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000000363313 567827119 /nfs/dbraw/zinc/82/71/19/567827119.db2.gz PPDFQXKBEVTZOX-UHFFFAOYSA-N 0 0 297.354 3.929 50 0 CHAARN COc1ccccc1OC(=O)Cc1cccc2ccccc21 ZINC000000363963 567827138 /nfs/dbraw/zinc/82/71/38/567827138.db2.gz SDNYDTGCHIPKIY-UHFFFAOYSA-N 0 0 292.334 3.997 50 0 CHAARN Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccccc2)c(C)c1 ZINC000000364963 567827309 /nfs/dbraw/zinc/82/73/09/567827309.db2.gz FNTGQGRATKJMQC-HZPDHXFCSA-N 0 0 297.398 3.948 50 0 CHAARN O=C(NCCC1=CCCCC1)NC1CCCCC1 ZINC000000370047 567827633 /nfs/dbraw/zinc/82/76/33/567827633.db2.gz FSMMDHVMVLEPLM-UHFFFAOYSA-N 0 0 250.386 3.509 50 0 CHAARN CCOC(=O)c1cc2cc3cc(C)ccc3nc2s1 ZINC000000375419 567827722 /nfs/dbraw/zinc/82/77/22/567827722.db2.gz BRJFZMVHBWGLKT-UHFFFAOYSA-N 0 0 271.341 3.935 50 0 CHAARN C[C@H]1C[C@H]1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000000372087 567827750 /nfs/dbraw/zinc/82/77/50/567827750.db2.gz DTVGDEPUWYDANL-POYBYMJQSA-N 0 0 266.753 3.544 50 0 CHAARN CCc1ccc([C@@H](C)NC(=O)Cc2ccc(F)cc2)cc1 ZINC000000371023 567827807 /nfs/dbraw/zinc/82/78/07/567827807.db2.gz WWLHHWWNMRIGDN-CYBMUJFWSA-N 0 0 285.362 3.808 50 0 CHAARN Cc1ccc([C@@H]2N3CCCN3C(=O)N2c2ccccc2)cc1 ZINC000000382127 567827950 /nfs/dbraw/zinc/82/79/50/567827950.db2.gz YPLNSWMNAYLDHO-QGZVFWFLSA-N 0 0 293.370 3.557 50 0 CHAARN Cc1cc(=O)cc(-c2ccccc2)n1-c1ccccc1 ZINC000000387780 567828337 /nfs/dbraw/zinc/82/83/37/567828337.db2.gz WVASEDFMUAMWMN-UHFFFAOYSA-N 0 0 261.324 3.813 50 0 CHAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC000000390008 567828420 /nfs/dbraw/zinc/82/84/20/567828420.db2.gz DZMPVDVUFAHUEK-GHMZBOCLSA-N 0 0 251.757 3.649 50 0 CHAARN O=C(Nc1ccccc1)c1cccc(Br)c1 ZINC000000395132 567828682 /nfs/dbraw/zinc/82/86/82/567828682.db2.gz SAGPZJDZARMYKP-UHFFFAOYSA-N 0 0 276.133 3.701 50 0 CHAARN COc1ccc(NC(=O)N(CC(C)C)CC(C)C)cc1 ZINC000000396911 567828871 /nfs/dbraw/zinc/82/88/71/567828871.db2.gz QOYLBVQLORKBKV-UHFFFAOYSA-N 0 0 278.396 3.841 50 0 CHAARN COc1cccc(NC(=O)Nc2c(C)cccc2C)c1 ZINC000000398181 567829046 /nfs/dbraw/zinc/82/90/46/567829046.db2.gz ICAVBTQJUYPBFH-UHFFFAOYSA-N 0 0 270.332 3.956 50 0 CHAARN CC(C)C[C@H](C)NC(=O)Nc1ccc(Cl)cc1 ZINC000000398190 567829071 /nfs/dbraw/zinc/82/90/71/567829071.db2.gz DVPPXCXCGJFRLF-JTQLQIEISA-N 0 0 254.761 3.896 50 0 CHAARN COc1ccc(NC(=O)NC2CCCCC2)c(Cl)c1 ZINC000000401703 567829287 /nfs/dbraw/zinc/82/92/87/567829287.db2.gz IBRLLFXACNGIRR-UHFFFAOYSA-N 0 0 282.771 3.803 50 0 CHAARN O=C(Nc1ccccn1)Nc1cccc2ccccc21 ZINC000000407543 567829595 /nfs/dbraw/zinc/82/95/95/567829595.db2.gz ZIDFZWMRWNMDTJ-UHFFFAOYSA-N 0 0 263.300 3.879 50 0 CHAARN C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccccc1 ZINC000000409649 567829673 /nfs/dbraw/zinc/82/96/73/567829673.db2.gz RMXROQKIFNNZMR-KBPBESRZSA-N 0 0 253.345 3.609 50 0 CHAARN CC(=O)Nc1cc2ccc1CCc1ccc(cc1)CC2 ZINC000000409785 567829716 /nfs/dbraw/zinc/82/97/16/567829716.db2.gz CQNJEAYOPSPRJH-UHFFFAOYSA-N 0 0 265.356 3.529 50 0 CHAARN Cc1ccnc(NC(=O)c2cccc3ccccc32)c1 ZINC000000407962 567829741 /nfs/dbraw/zinc/82/97/41/567829741.db2.gz DFQLFBSKWUNXCL-UHFFFAOYSA-N 0 0 262.312 3.796 50 0 CHAARN CC(=O)Nc1ccccc1NC(=O)c1ccccc1Cl ZINC000000436170 567829883 /nfs/dbraw/zinc/82/98/83/567829883.db2.gz SZYWALQGNTVOSO-UHFFFAOYSA-N 0 0 288.734 3.551 50 0 CHAARN COc1ccc2c(=O)cc(C(Cl)(Cl)Cl)oc2c1 ZINC000000437340 567830064 /nfs/dbraw/zinc/83/00/64/567830064.db2.gz LPLSLEOFBMPIFG-UHFFFAOYSA-N 0 0 293.533 3.628 50 0 biogenic,in-vitro CHAARN C[C@@H]1CCc2onc(C(=O)Nc3cccc(Cl)c3)c2C1 ZINC000000426589 567830114 /nfs/dbraw/zinc/83/01/14/567830114.db2.gz KIMNKEPYXBKUAD-SECBINFHSA-N 0 0 290.750 3.705 50 0 CHAARN Cc1cccc(C)c1NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000000443994 567830215 /nfs/dbraw/zinc/83/02/15/567830215.db2.gz YQZINRYUGXBIME-VQHVLOKHSA-N 0 0 295.338 3.684 50 0 CHAARN C[C@H](Sc1ccccc1)C(=O)NCCc1ccccc1 ZINC000000443857 567830243 /nfs/dbraw/zinc/83/02/43/567830243.db2.gz GEXAAZQYMKEHAN-AWEZNQCLSA-N 0 0 285.412 3.526 50 0 CHAARN C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1 ZINC000000443660 567830247 /nfs/dbraw/zinc/83/02/47/567830247.db2.gz AMTLMINJXFFKAB-GFCCVEGCSA-N 0 0 257.358 3.806 50 0 CHAARN CN(C(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000000443069 567830261 /nfs/dbraw/zinc/83/02/61/567830261.db2.gz RQVQITQNOQXRBG-UHFFFAOYSA-N 0 0 291.350 3.882 50 0 CHAARN CCc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000000443253 567830354 /nfs/dbraw/zinc/83/03/54/567830354.db2.gz XLDGDBKMVQMXGO-UHFFFAOYSA-N 0 0 253.345 3.820 50 0 CHAARN COc1cc(C)cc2cc(C)c(C(C)=O)c(OC)c21 ZINC000000440272 567830444 /nfs/dbraw/zinc/83/04/44/567830444.db2.gz HFLLUOHLNRRCQM-UHFFFAOYSA-N 0 0 258.317 3.676 50 0 CHAARN Cc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000000447175 567830529 /nfs/dbraw/zinc/83/05/29/567830529.db2.gz VXWPOLIIBOMEDN-UHFFFAOYSA-N 0 0 269.344 3.629 50 0 CHAARN CCOc1ccccc1NC(=O)CSc1ccccc1 ZINC000000450200 567830584 /nfs/dbraw/zinc/83/05/84/567830584.db2.gz GXMPDQJWFMVRCH-UHFFFAOYSA-N 0 0 287.384 3.816 50 0 CHAARN COc1ccc(Cl)cc1NC(=O)c1cccc(F)c1 ZINC000000446450 567830675 /nfs/dbraw/zinc/83/06/75/567830675.db2.gz DYHGRJZARLONNZ-UHFFFAOYSA-N 0 0 279.698 3.740 50 0 CHAARN CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccccc1 ZINC000000456236 567830924 /nfs/dbraw/zinc/83/09/24/567830924.db2.gz FALODDURDKXEHO-AWEZNQCLSA-N 0 0 283.371 3.963 50 0 CHAARN O=C(Nc1ccc(F)cc1)C1[C@@H]2CCC=CCC[C@@H]12 ZINC000000451582 567830940 /nfs/dbraw/zinc/83/09/40/567830940.db2.gz YXHKVKSCJUBPED-ZIAGYGMSSA-N 0 0 259.324 3.757 50 0 CHAARN CC(=O)Nc1ccc(-c2csc(-c3cccnc3)n2)cc1 ZINC000000455793 567830962 /nfs/dbraw/zinc/83/09/62/567830962.db2.gz IVRQJGYCUAAJOD-UHFFFAOYSA-N 0 0 295.367 3.831 50 0 CHAARN O=C(c1ccc2ccccc2c1)N1CCCCCC1 ZINC000000455339 567830975 /nfs/dbraw/zinc/83/09/75/567830975.db2.gz FZDSTONGQGQEKF-UHFFFAOYSA-N 0 0 253.345 3.856 50 0 CHAARN CC[C@H](C)NC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000000452137 567831118 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/nfs/dbraw/zinc/83/44/13/567834413.db2.gz QOSWNYKGKHEXDV-UHFFFAOYSA-N 0 0 254.116 3.656 50 0 CHAARN O=C(CCC1CCCC1)NCc1ccccc1Cl ZINC000000618284 567834612 /nfs/dbraw/zinc/83/46/12/567834612.db2.gz NMUZPTDWPXYZQQ-UHFFFAOYSA-N 0 0 265.784 3.927 50 0 CHAARN CCC(C)(C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000620369 567834804 /nfs/dbraw/zinc/83/48/04/567834804.db2.gz MYVOAYMISXVCTH-UHFFFAOYSA-N 0 0 260.164 3.912 50 0 CHAARN CCOc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000000621612 567834829 /nfs/dbraw/zinc/83/48/29/567834829.db2.gz MUWWHKSBOHLDPM-STQMWFEESA-N 0 0 276.380 3.595 50 0 CHAARN C[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 ZINC000000858650 567834921 /nfs/dbraw/zinc/83/49/21/567834921.db2.gz YSBCKICBTLEEBX-LBPRGKRZSA-N 0 0 273.763 3.701 50 0 CHAARN COc1ccc(CNC(=O)C[C@@H](C)c2ccccc2)cc1 ZINC000000860279 567834928 /nfs/dbraw/zinc/83/49/28/567834928.db2.gz BBCQYMLKCFLNHW-CQSZACIVSA-N 0 0 283.371 3.505 50 0 biogenic CHAARN COc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000000815023 567834997 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3.849 50 0 CHAARN Cc1cc2cc(Br)ccc2nc1Cl ZINC000002583877 567848788 /nfs/dbraw/zinc/84/87/88/567848788.db2.gz VKGSTGZYRFTWNA-UHFFFAOYSA-N 0 0 256.530 3.959 50 0 CHAARN O=C(Oc1ccc(Br)cc1)c1cccs1 ZINC000002594652 567848848 /nfs/dbraw/zinc/84/88/48/567848848.db2.gz BGQQTADIYBLIEV-UHFFFAOYSA-N 0 0 283.146 3.730 50 0 CHAARN O=C(Cc1ccccc1)c1nc2ccccc2s1 ZINC000002661490 567848863 /nfs/dbraw/zinc/84/88/63/567848863.db2.gz FEGRXWKXYVKSOA-UHFFFAOYSA-N 0 0 253.326 3.722 50 0 CHAARN CCCCN(CCCC)C(=O)c1cccc(OC)c1 ZINC000002736414 567848992 /nfs/dbraw/zinc/84/89/92/567848992.db2.gz CLNMKRDBYLYJDD-UHFFFAOYSA-N 0 0 263.381 3.738 50 0 CHAARN CCCOc1ccc2c(C(F)(F)F)cc(=O)oc2c1C ZINC000002811627 567849357 /nfs/dbraw/zinc/84/93/57/567849357.db2.gz ZLBGARAULKZWKT-UHFFFAOYSA-N 0 0 286.249 3.909 50 0 CHAARN Cc1ccc(OCCNC(=O)/C=C/c2ccccc2)cc1C ZINC000002814224 567849598 /nfs/dbraw/zinc/84/95/98/567849598.db2.gz VVGVYORKJMAOLC-PKNBQFBNSA-N 0 0 295.382 3.512 50 0 biogenic CHAARN COc1ccc(C(=O)CSc2ccc(C)cc2)cc1 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0 275.355 3.610 50 0 CHAARN O=C(Cc1ccc(Cl)cc1Cl)NC1CCCCC1 ZINC000003506547 567852783 /nfs/dbraw/zinc/85/27/83/567852783.db2.gz IBBLSMMSZNLWAN-UHFFFAOYSA-N 0 0 286.202 3.985 50 0 CHAARN CCCC(CCC)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000003632832 567853210 /nfs/dbraw/zinc/85/32/10/567853210.db2.gz VHHBDIBGICPZJD-UHFFFAOYSA-N 0 0 276.380 3.800 50 0 CHAARN COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000003881355 567854294 /nfs/dbraw/zinc/85/42/94/567854294.db2.gz ULAADVBNYHGIBP-GFEQUFNTSA-N 0 0 286.415 3.912 50 0 in-vitro CHAARN COc1ccccc1/C=C/c1nc2ccccc2[nH]1 ZINC000003904664 567854357 /nfs/dbraw/zinc/85/43/57/567854357.db2.gz PMAUBGABAFCIRA-ZHACJKMWSA-N 0 0 250.301 3.742 50 0 CHAARN C[C@@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000004019985 567854501 /nfs/dbraw/zinc/85/45/01/567854501.db2.gz GULDKCIYDPMQQB-XTZCOPOCSA-N 0 0 251.329 3.577 50 0 CHAARN Cc1ccc(NC(=O)c2cc(-c3ccccc3O)on2)cc1 ZINC000003908599 567854618 /nfs/dbraw/zinc/85/46/18/567854618.db2.gz SVWKTMVSSUWMRX-UHFFFAOYSA-N 0 0 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Cc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1C ZINC000021796310 567881193 /nfs/dbraw/zinc/88/11/93/567881193.db2.gz VHFDPBGVZSXEDF-UHFFFAOYSA-N 0 0 291.354 3.741 50 0 CHAARN C[C@@H](c1nc(C(C)(C)C)no1)N1CCCc2ccccc21 ZINC000022956026 567881518 /nfs/dbraw/zinc/88/15/18/567881518.db2.gz WDSSWTBNASPKSC-LBPRGKRZSA-N 0 0 285.391 3.881 50 0 CHAARN Clc1ccc(-c2n[nH]cc2Br)s1 ZINC000084629777 567881539 /nfs/dbraw/zinc/88/15/39/567881539.db2.gz UHOYZXGNZJFRFX-UHFFFAOYSA-N 0 0 263.547 3.554 50 0 CHAARN Nc1cc(C(=O)OCc2ccc(Cl)cc2)ccc1Cl ZINC000010874299 567881670 /nfs/dbraw/zinc/88/16/70/567881670.db2.gz HSCSXHUFKNHMQP-UHFFFAOYSA-N 0 0 296.153 3.933 50 0 CHAARN Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cn1 ZINC000023056868 567881748 /nfs/dbraw/zinc/88/17/48/567881748.db2.gz ARVYOTXKPPICMA-QGZVFWFLSA-N 0 0 282.387 3.907 50 0 CHAARN Cc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1ccccn1 ZINC000026186594 567882867 /nfs/dbraw/zinc/88/28/67/567882867.db2.gz CBXPDWNHIGNCKV-KBPBESRZSA-N 0 0 283.375 3.511 50 0 CHAARN CC(C)(C)c1ccc(N[C@H](C(N)=O)c2ccccc2)cc1 ZINC000026158438 567882934 /nfs/dbraw/zinc/88/29/34/567882934.db2.gz ADNYNTIXBLTVEY-INIZCTEOSA-N 0 0 282.387 3.623 50 0 CHAARN CCOCc1ccc(CNc2nc3ccccc3o2)cc1 ZINC000026775649 567883060 /nfs/dbraw/zinc/88/30/60/567883060.db2.gz WOGPHAHOUXXUHN-UHFFFAOYSA-N 0 0 282.343 3.976 50 0 CHAARN CSc1ccc([C@@H](C)NC(=O)CCc2ccco2)cc1 ZINC000027162848 567883073 /nfs/dbraw/zinc/88/30/73/567883073.db2.gz CXCATGDHCKMOGF-GFCCVEGCSA-N 0 0 289.400 3.812 50 0 CHAARN Cc1cccc(CNC(=O)c2ccccc2C(F)(F)F)c1 ZINC000026886670 567883177 /nfs/dbraw/zinc/88/31/77/567883177.db2.gz JAHDMDSZBTUNNJ-UHFFFAOYSA-N 0 0 293.288 3.944 50 0 CHAARN COc1ccc(N[C@@H](C)c2nc(-c3ccco3)no2)cc1 ZINC000026982518 567883308 /nfs/dbraw/zinc/88/33/08/567883308.db2.gz PXBRAPAEJQALED-JTQLQIEISA-N 0 0 285.303 3.511 50 0 CHAARN CC(=O)Nc1sc(C)nc1-c1ccc(Cl)cc1 ZINC000027991658 567883518 /nfs/dbraw/zinc/88/35/18/567883518.db2.gz FMXRYLAWSGGFHM-UHFFFAOYSA-N 0 0 266.753 3.730 50 0 CHAARN O=C1NCCCC[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000039341956 567883602 /nfs/dbraw/zinc/88/36/02/567883602.db2.gz LINAMJDHAYLHGQ-SFHVURJKSA-N 0 0 295.382 3.649 50 0 CHAARN COc1ccc(NCc2ccc(OC)c(C)c2)cc1 ZINC000000279489 567883788 /nfs/dbraw/zinc/88/37/88/567883788.db2.gz JUDQJHAYWZOKPG-UHFFFAOYSA-N 0 0 257.333 3.624 50 0 CHAARN O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cccnc1 ZINC000029354637 567883794 /nfs/dbraw/zinc/88/37/94/567883794.db2.gz OBIWHNIEYUVXHY-UHFFFAOYSA-N 0 0 299.330 3.597 50 0 CHAARN C[C@@H](NC(=O)c1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000030116589 567884521 /nfs/dbraw/zinc/88/45/21/567884521.db2.gz RMLAWSUWHRKIPS-SNVBAGLBSA-N 0 0 294.276 3.591 50 0 CHAARN CC(C)=CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000030765072 567884788 /nfs/dbraw/zinc/88/47/88/567884788.db2.gz AAQSJHJWVBLDTR-ORVZXPRGSA-N 0 0 261.409 3.674 50 0 CHAARN CC(C)Oc1ccccc1NC(=O)Cc1cccs1 ZINC000031776433 567885259 /nfs/dbraw/zinc/88/52/59/567885259.db2.gz ZEDLZDKBZCXMJM-UHFFFAOYSA-N 0 0 275.373 3.717 50 0 CHAARN Cc1cnc(-c2ccccc2-c2ccccc2)nc1N ZINC000032523722 567885903 /nfs/dbraw/zinc/88/59/03/567885903.db2.gz JPICDHJESPERQJ-UHFFFAOYSA-N 0 0 261.328 3.701 50 0 CHAARN COc1ccc2c(c1)CC[C@H]1[C@H]3C=C[C@H](O)[C@@]3(C)CC[C@@H]21 ZINC000032271506 567886140 /nfs/dbraw/zinc/88/61/40/567886140.db2.gz KAECVEVIXKMEOP-JKEDJMADSA-N 0 0 284.399 3.688 50 0 CHAARN Cc1c2ccc(C)cc2oc1C(=O)Nc1ccccn1 ZINC000032593327 567886212 /nfs/dbraw/zinc/88/62/12/567886212.db2.gz UTVKFOQEUMFCEM-UHFFFAOYSA-N 0 0 266.300 3.697 50 0 CHAARN COc1ccc2c(c1)[C@@H](O)CC1(CCCCCC1)O2 ZINC000032917430 567886262 /nfs/dbraw/zinc/88/62/62/567886262.db2.gz DKEQHIFEPRBBMT-AWEZNQCLSA-N 0 0 262.349 3.604 50 0 CHAARN C[C@@H](SC1=NCCS1)c1nnc(-c2cccs2)o1 ZINC000072302550 567886361 /nfs/dbraw/zinc/88/63/61/567886361.db2.gz AUQAZJSJRFQSJD-SSDOTTSWSA-N 0 0 297.430 3.695 50 0 CHAARN O=C(Nc1ccc(C(F)(F)F)cc1)OCC(F)(F)F ZINC000032628841 567886411 /nfs/dbraw/zinc/88/64/11/567886411.db2.gz LQCXCGJWHXQZMV-UHFFFAOYSA-N 0 0 287.159 3.816 50 0 CHAARN CCC[C@@H]1C(=O)C[C@@H](c2ccco2)N[C@@H]1c1ccco1 ZINC000033295199 567886741 /nfs/dbraw/zinc/88/67/41/567886741.db2.gz LFJPCHSRZIMWGY-WQGACYEGSA-N 0 0 273.332 3.634 50 0 CHAARN Clc1ccc2c(c1)C(c1ccccc1)=NCc1nccn1-2 ZINC000034278123 567886980 /nfs/dbraw/zinc/88/69/80/567886980.db2.gz YDWMIJIGNDPSCI-UHFFFAOYSA-N 0 0 293.757 3.877 50 0 CHAARN Cc1nn(C(=O)c2ccco2)c(C)c1Sc1ccccc1 ZINC000000086545 567887471 /nfs/dbraw/zinc/88/74/71/567887471.db2.gz KGEAJPRQZWFCDT-UHFFFAOYSA-N 0 0 298.367 3.933 50 0 CHAARN CCC(=O)Nc1cc(-c2nc3ccccc3o2)ccc1OC ZINC000001203989 567887644 /nfs/dbraw/zinc/88/76/44/567887644.db2.gz QUCRLTIIZXMLJK-UHFFFAOYSA-N 0 0 296.326 3.852 50 0 CHAARN O=C(Nc1ccccc1F)NC1CCCCCC1 ZINC000004539231 567888155 /nfs/dbraw/zinc/88/81/55/567888155.db2.gz RPDGYQVPVGMEIC-UHFFFAOYSA-N 0 0 250.317 3.670 50 0 CHAARN C/C(=C/c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000034715053 567888848 /nfs/dbraw/zinc/88/88/48/567888848.db2.gz RRPFDZMTAFNANO-OWBHPGMISA-N 0 0 272.369 3.830 50 0 CHAARN COc1ccccc1C(=O)c1ccccc1Br ZINC000034726419 567888863 /nfs/dbraw/zinc/88/88/63/567888863.db2.gz DRXWKWVDVVPSSQ-UHFFFAOYSA-N 0 0 291.144 3.689 50 0 CHAARN Cc1ccccc1C=C1NC(=S)N(c2ccccc2)C1=O ZINC000034927069 567889093 /nfs/dbraw/zinc/88/90/93/567889093.db2.gz DWUSLSMNZCFNME-RVDMUPIBSA-N 0 0 294.379 3.669 50 0 CHAARN FC(F)(F)c1cccc(COc2ccccn2)c1 ZINC000036719672 567889784 /nfs/dbraw/zinc/88/97/84/567889784.db2.gz XIYNJDLFJQIJKA-UHFFFAOYSA-N 0 0 253.223 3.679 50 0 CHAARN Clc1ccc2nc(NCc3ccncc3)sc2c1 ZINC000036657584 567889825 /nfs/dbraw/zinc/88/98/25/567889825.db2.gz MPFGVUAGIHXVKK-UHFFFAOYSA-N 0 0 275.764 3.957 50 0 CHAARN CC(=O)Nc1ccc(Nc2ccnc3ccccc32)cc1 ZINC000041055572 567890646 /nfs/dbraw/zinc/89/06/46/567890646.db2.gz HNJLADNOANCNRH-UHFFFAOYSA-N 0 0 277.327 3.937 50 0 CHAARN CCc1nc2sc(C)cc2c(NC2CCCC2)n1 ZINC000041090668 567890665 /nfs/dbraw/zinc/89/06/65/567890665.db2.gz KBNYEDYVRXJNBP-UHFFFAOYSA-N 0 0 261.394 3.917 50 0 CHAARN CN(C)c1nc(Nc2ccc(F)cc2)nc2ccccc21 ZINC000041146917 567890983 /nfs/dbraw/zinc/89/09/83/567890983.db2.gz ZEJDFYUJOJAUMF-UHFFFAOYSA-N 0 0 282.322 3.579 50 0 CHAARN CCc1nc2sc3c(c2c(N(CC)CC)n1)CCC3 ZINC000041090162 567891042 /nfs/dbraw/zinc/89/10/42/567891042.db2.gz VKDYAXPSPKHIOV-UHFFFAOYSA-N 0 0 275.421 3.589 50 0 CHAARN Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(C)c(C)c2)no1 ZINC000043143674 567892038 /nfs/dbraw/zinc/89/20/38/567892038.db2.gz QEBJTNHATNJGTK-MRXNPFEDSA-N 0 0 299.374 3.969 50 0 CHAARN O=C(c1ccsc1)c1ccc(Br)cc1F ZINC000043210308 567892339 /nfs/dbraw/zinc/89/23/39/567892339.db2.gz GTZFIVILTBBWAE-UHFFFAOYSA-N 0 0 285.137 3.881 50 0 CHAARN O=C(c1cccc(C2OCCO2)c1)c1ccccc1Cl ZINC000043212566 567892419 /nfs/dbraw/zinc/89/24/19/567892419.db2.gz HJZOIXLJSBWZRV-UHFFFAOYSA-N 0 0 288.730 3.616 50 0 CHAARN COc1cccc([C@@H]2CC(=O)Nc3c2cnn3C(C)(C)C)c1 ZINC000049547284 567893367 /nfs/dbraw/zinc/89/33/67/567893367.db2.gz CORXCZDEBPTCQZ-ZDUSSCGKSA-N 0 0 299.374 3.770 50 0 CHAARN CCCCN(Cc1ccsc1)C(=O)[C@@H](C)OC(C)C ZINC000055226962 567894219 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O=C1OC(=CNc2ccc(F)cc2F)c2ccccc21 ZINC000100411635 567927234 /nfs/dbraw/zinc/92/72/34/567927234.db2.gz FAIAXNVURBJJPN-ZSOIEALJSA-N 0 0 273.238 3.546 50 0 CHAARN COc1cc(C(=O)Nc2cc3[nH]ccc3cc2C)ccc1F ZINC000408514260 567927687 /nfs/dbraw/zinc/92/76/87/567927687.db2.gz LMANKGPHDMRETO-UHFFFAOYSA-N 0 0 298.317 3.876 50 0 CHAARN O=C(NCC1(c2ccccc2)CC1)c1cc2ccccc2o1 ZINC000011749890 567928334 /nfs/dbraw/zinc/92/83/34/567928334.db2.gz CLVLABALZQEEEG-UHFFFAOYSA-N 0 0 291.350 3.894 50 0 CHAARN CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OC ZINC000000574850 567929771 /nfs/dbraw/zinc/92/97/71/567929771.db2.gz WVNRPBFHXPEKCZ-GXDHUFHOSA-N 0 0 295.338 3.587 50 0 CHAARN CCC(CC)NC(=O)c1sc2nc(C)nc(C)c2c1C ZINC000066962255 567930848 /nfs/dbraw/zinc/93/08/48/567930848.db2.gz HZRGXMAPSSJRMH-UHFFFAOYSA-N 0 0 291.420 3.535 50 0 CHAARN CC(C)(C)n1cc(C=O)c(-c2ccc(F)c(F)c2F)n1 ZINC000140783929 567931283 /nfs/dbraw/zinc/93/12/83/567931283.db2.gz CLBRSJWAWUHQBS-UHFFFAOYSA-N 0 0 282.265 3.535 50 0 CHAARN COc1ccc(-c2nc3ccccc3s2)cc1OC ZINC000001508712 567931596 /nfs/dbraw/zinc/93/15/96/567931596.db2.gz JMSHSEQKUVZWNO-UHFFFAOYSA-N 0 0 271.341 3.981 50 0 CHAARN CC1=C[C@H](C)[C@H]2CO[C@H](c3ccc(O)cc3)[C@@H]1[C@@H]2C ZINC000005375843 567931746 /nfs/dbraw/zinc/93/17/46/567931746.db2.gz UVEZFZYRAYSXIF-PBXXMHPPSA-N 0 0 258.361 3.928 50 0 biogenic CHAARN FC(F)(F)c1ccc(N2CCC[C@H]2c2cccs2)nn1 ZINC000179968924 567933220 /nfs/dbraw/zinc/93/32/20/567933220.db2.gz LBISQKZCGYGHIV-VIFPVBQESA-N 0 0 299.321 3.898 50 0 CHAARN O=C(c1ccncc1)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000206671094 567933774 /nfs/dbraw/zinc/93/37/74/567933774.db2.gz SDMKQEXTKGUCDT-MRXNPFEDSA-N 0 0 298.361 3.631 50 0 CHAARN O=c1[nH]nc(-c2cccc3ccccc32)c2ccccc12 ZINC000016980218 567934328 /nfs/dbraw/zinc/93/43/28/567934328.db2.gz KXFRSVCWEHBKQT-UHFFFAOYSA-N 0 0 272.307 3.743 50 0 CHAARN Cc1cc(C(=O)N[C@@H](C)c2ccc(C)cc2)c(C)o1 ZINC000000476261 567934978 /nfs/dbraw/zinc/93/49/78/567934978.db2.gz FBPAXWNTVGOTLM-LBPRGKRZSA-N 0 0 257.333 3.696 50 0 CHAARN CC(C)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 ZINC000000128451 567935296 /nfs/dbraw/zinc/93/52/96/567935296.db2.gz QHHXICYRDWQUCF-UHFFFAOYSA-N 0 0 287.334 3.967 50 0 CHAARN Cc1cccc(NC(=O)COc2ccc(C)c(C)c2)c1 ZINC000000044001 567935632 /nfs/dbraw/zinc/93/56/32/567935632.db2.gz QHSCYPXRVBMROS-UHFFFAOYSA-N 0 0 269.344 3.629 50 0 CHAARN COc1cccc(CNc2ccc(C)c(C)c2)c1OC ZINC000000262966 567935655 /nfs/dbraw/zinc/93/56/55/567935655.db2.gz ISLBPOXLTJJBEC-UHFFFAOYSA-N 0 0 271.360 3.933 50 0 CHAARN CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)c1ccccc1 ZINC000000030795 567935776 /nfs/dbraw/zinc/93/57/76/567935776.db2.gz QUDAXQDFIPQNRV-CQSZACIVSA-N 0 0 297.354 3.606 50 0 CHAARN O=C(SC1=NCCS1)c1ccc(Cl)cc1Cl ZINC000000314547 567935833 /nfs/dbraw/zinc/93/58/33/567935833.db2.gz UMWVUVSDDUHJEA-UHFFFAOYSA-N 0 0 292.212 3.970 50 0 CHAARN Cc1cccc(C)c1OCC(=O)Nc1cccc(Cl)c1 ZINC000000362553 567935932 /nfs/dbraw/zinc/93/59/32/567935932.db2.gz VCJRPJDDVPZNDY-UHFFFAOYSA-N 0 0 289.762 3.974 50 0 CHAARN COc1ccccc1CNc1ccc2c(c1)CCC2 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/nfs/dbraw/zinc/93/80/68/567938068.db2.gz IKNLTCUOYIVNOC-OAHLLOKOSA-N 0 0 284.359 3.775 50 0 CHAARN Cc1cc(N[C@H](c2ccccc2)c2cccnc2)nc(C)n1 ZINC000189343414 567938852 /nfs/dbraw/zinc/93/88/52/567938852.db2.gz LNKBNLZNLIIQIC-GOSISDBHSA-N 0 0 290.370 3.690 50 0 CHAARN CCN(C)c1ccccc1NC(=O)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000098014262 567939128 /nfs/dbraw/zinc/93/91/28/567939128.db2.gz DVDDQWASMGSTHG-HUUCEWRRSA-N 0 0 299.418 3.573 50 0 CHAARN Cc1nn(C(=O)CCc2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000000485986 567939258 /nfs/dbraw/zinc/93/92/58/567939258.db2.gz WTJVTHPFXIYQHY-RDTXWAMCSA-N 0 0 294.398 3.760 50 0 biogenic CHAARN FC(F)Oc1cc(Br)cc2cc[nH]c21 ZINC000169725918 567939461 /nfs/dbraw/zinc/93/94/61/567939461.db2.gz VHNRRSPUMMGSSH-UHFFFAOYSA-N 0 0 262.053 3.532 50 0 CHAARN CC(C)Cn1c(Cl)nc2sc3c(c2c1=O)CCCC3 ZINC000096517637 567939895 /nfs/dbraw/zinc/93/98/95/567939895.db2.gz ATKUPAAYTJMOAX-UHFFFAOYSA-N 0 0 296.823 3.646 50 0 CHAARN COc1ccc(OCC(=O)c2cc(C)n(C3CC3)c2C)cc1 ZINC000062686999 567940131 /nfs/dbraw/zinc/94/01/31/567940131.db2.gz LJGLGLBPJREXRY-UHFFFAOYSA-N 0 0 299.370 3.710 50 0 CHAARN FC(F)(F)c1nnc(-c2cccc3ccccc32)o1 ZINC000000499700 567940236 /nfs/dbraw/zinc/94/02/36/567940236.db2.gz TYURTHGAVHCIHW-UHFFFAOYSA-N 0 0 264.206 3.909 50 0 CHAARN C[C@H](Oc1ccccc1Cl)C(=O)N1CCCCCC1 ZINC000012380383 567940244 /nfs/dbraw/zinc/94/02/44/567940244.db2.gz DNGLQOYGRNLACI-LBPRGKRZSA-N 0 0 281.783 3.510 50 0 CHAARN O=C(NCCCOC1CCCCC1)Nc1ccc(F)cc1 ZINC000018177304 567940544 /nfs/dbraw/zinc/94/05/44/567940544.db2.gz LFFFQQIPAUXZMG-UHFFFAOYSA-N 0 0 294.370 3.687 50 0 CHAARN COc1ccc(NC(=O)c2cc(C)cc(C)c2)c(OC)c1 ZINC000000505905 567941094 /nfs/dbraw/zinc/94/10/94/567941094.db2.gz RJQWSOLPBVMAMC-UHFFFAOYSA-N 0 0 285.343 3.573 50 0 CHAARN O=C(CSc1ccc(Cl)cc1)c1ccc(O)cc1O ZINC000018321860 567941196 /nfs/dbraw/zinc/94/11/96/567941196.db2.gz NUKCVWWCXOHRSG-UHFFFAOYSA-N 0 0 294.759 3.726 50 0 CHAARN O=C(c1ccc(Cl)cc1)n1ccc2ccccc21 ZINC000000506288 567941286 /nfs/dbraw/zinc/94/12/86/567941286.db2.gz BSHZKBGFYKXEDS-UHFFFAOYSA-N 0 0 255.704 3.983 50 0 CHAARN CCN1c2ccccc2[C@H](Cc2ccc(C)s2)C1=O ZINC000101728510 567941378 /nfs/dbraw/zinc/94/13/78/567941378.db2.gz JDHDZCXEULBIJD-AWEZNQCLSA-N 0 0 271.385 3.749 50 0 CHAARN O=C(Nc1ccccc1)N(C1=NCCC1)c1ccccc1 ZINC000000510177 567941596 /nfs/dbraw/zinc/94/15/96/567941596.db2.gz NMWDLGZDEOKFKD-UHFFFAOYSA-N 0 0 279.343 3.917 50 0 CHAARN CC1(C)O[C@H](c2ccc3c(c2)OCO3)Nc2ccccc21 ZINC000102461535 567941699 /nfs/dbraw/zinc/94/16/99/567941699.db2.gz UDMIZHXZXRASCZ-MRXNPFEDSA-N 0 0 283.327 3.791 50 0 CHAARN Brc1ccc(-c2noc(-c3ccco3)n2)cc1 ZINC000000516048 567941814 /nfs/dbraw/zinc/94/18/14/567941814.db2.gz WYPYQLIMWFPTBW-UHFFFAOYSA-N 0 0 291.104 3.759 50 0 CHAARN CC(C)C(=O)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000000549627 567942952 /nfs/dbraw/zinc/94/29/52/567942952.db2.gz ASTJUEFNAUFINV-UHFFFAOYSA-N 0 0 279.343 3.596 50 0 CHAARN Cc1cc(C)n2cc(CNc3ccc(Cl)cc3)nc2n1 ZINC000000564636 567943141 /nfs/dbraw/zinc/94/31/41/567943141.db2.gz WIUOIYOSHQXSMM-UHFFFAOYSA-N 0 0 286.766 3.612 50 0 CHAARN CCCN(CCC)C(=O)Cc1c(C)[nH]c2ccc(C)cc21 ZINC000024536692 567943350 /nfs/dbraw/zinc/94/33/50/567943350.db2.gz NJKDBKRPVFHCQO-UHFFFAOYSA-N 0 0 286.419 3.976 50 0 CHAARN CSc1ccc(NC=C2C(=O)Nc3ccccc32)cc1 ZINC000100523036 567943581 /nfs/dbraw/zinc/94/35/81/567943581.db2.gz NMBCFXFHGIACRN-UVTDQMKNSA-N 0 0 282.368 3.814 50 0 CHAARN Cc1ccnc(SCc2ccccc2Cl)n1 ZINC000000574230 567943763 /nfs/dbraw/zinc/94/37/63/567943763.db2.gz YJHCHGUXXNYTBV-UHFFFAOYSA-N 0 0 250.754 3.731 50 0 CHAARN Cc1cccc(OCc2nc(-c3ccccc3)no2)c1C ZINC000000577353 567943845 /nfs/dbraw/zinc/94/38/45/567943845.db2.gz ZNVSVYQLJFUHFZ-UHFFFAOYSA-N 0 0 280.327 3.932 50 0 CHAARN O=C(N[C@H]1CCSc2ccc(F)cc21)c1cccs1 ZINC000015199070 567943850 /nfs/dbraw/zinc/94/38/50/567943850.db2.gz FUWSXZQVEKYZFB-NSHDSACASA-N 0 0 293.388 3.854 50 0 CHAARN COC(=O)c1cc(Cl)c(C)c(Cl)c1Cl ZINC000136875155 567944713 /nfs/dbraw/zinc/94/47/13/567944713.db2.gz GNQUYAWRQYGEOE-UHFFFAOYSA-N 0 0 253.512 3.742 50 0 CHAARN CSc1ccc(NC(=O)c2cccnc2SC)cc1 ZINC000012038622 567945659 /nfs/dbraw/zinc/94/56/59/567945659.db2.gz MZVFZQGASYMBIJ-UHFFFAOYSA-N 0 0 290.413 3.778 50 0 CHAARN CCC[C@@H](NC(=O)c1cccc(N)c1)c1cccs1 ZINC000049540610 567946866 /nfs/dbraw/zinc/94/68/66/567946866.db2.gz SDQIOBFMBDSJCO-CYBMUJFWSA-N 0 0 274.389 3.602 50 0 CHAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000049497018 567946869 /nfs/dbraw/zinc/94/68/69/567946869.db2.gz DYXUCFBSRUIVBS-LDYMZIIASA-N 0 0 272.373 3.768 50 0 CHAARN COc1c(F)cc(CN(C)[C@@H](C)c2ccncc2)cc1F ZINC000215870089 567947313 /nfs/dbraw/zinc/94/73/13/567947313.db2.gz FJPADCVXDQDJMN-NSHDSACASA-N 0 0 292.329 3.561 50 0 CHAARN C[C@@H](c1ccon1)N(C)Cc1cc(-c2ccccc2)no1 ZINC000216172630 567947589 /nfs/dbraw/zinc/94/75/89/567947589.db2.gz NXKWYOHCOSJUER-LBPRGKRZSA-N 0 0 283.331 3.523 50 0 CHAARN CCc1nccc(CN2CCCC[C@H]2c2cccc(F)c2)n1 ZINC000216280266 567947673 /nfs/dbraw/zinc/94/76/73/567947673.db2.gz LSLGCNCCHTXPLF-KRWDZBQOSA-N 0 0 299.393 3.905 50 0 CHAARN Cc1cc2n(n1)[C@@H](c1cccc(O)c1)Nc1c(C)cccc1-2 ZINC000000818122 567948309 /nfs/dbraw/zinc/94/83/09/567948309.db2.gz OKYVXGTZPHTRPK-SFHVURJKSA-N 0 0 291.354 3.845 50 0 CHAARN CC(C)Oc1ccc(Cn2c3ccccc3sc2=O)cc1 ZINC000000814289 567948320 /nfs/dbraw/zinc/94/83/20/567948320.db2.gz VPKBEVUEBCFSBU-UHFFFAOYSA-N 0 0 299.395 3.899 50 0 CHAARN C[C@H](NC(=O)NCc1ccccc1)c1ccc(Cl)s1 ZINC000027350121 567951345 /nfs/dbraw/zinc/95/13/45/567951345.db2.gz WPRUIFSKZNJAQE-JTQLQIEISA-N 0 0 294.807 3.962 50 0 CHAARN COc1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000000216691 567951477 /nfs/dbraw/zinc/95/14/77/567951477.db2.gz WKPXOGZQKUEJFF-XNTDXEJSSA-N 0 0 283.352 3.781 50 0 CHAARN CC(C)[C@@H]1CCCN(C(=O)CO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000225432470 567953207 /nfs/dbraw/zinc/95/32/07/567953207.db2.gz QNQKLJSOEBOSIJ-GVDBMIGSSA-N 0 0 295.467 3.866 50 0 CHAARN CCC[C@@H]1C[C@@H]1NC(=O)c1oc2ccccc2c1C ZINC000225431415 567953497 /nfs/dbraw/zinc/95/34/97/567953497.db2.gz 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CC(C)=CCOc1ccc(Br)cc1C=O ZINC000020302700 171139725 /nfs/dbraw/zinc/13/97/25/171139725.db2.gz WUTTVPUOEKZQBN-UHFFFAOYSA-N 0 0 269.138 3.607 50 0 CHAARN CCOc1cccc(CNC(=O)c2cccc(Cl)c2)c1 ZINC000020481565 171222337 /nfs/dbraw/zinc/22/23/37/171222337.db2.gz ZHRNPXPKYGSSLI-UHFFFAOYSA-N 0 0 289.762 3.669 50 0 CHAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)c1ccccc1 ZINC000020489150 171226093 /nfs/dbraw/zinc/22/60/93/171226093.db2.gz GUIGGKWNQRCWJD-LBPRGKRZSA-N 0 0 289.762 3.770 50 0 CHAARN Cc1ccc(-c2c(=O)c(=O)c2N[C@H]2CCCC[C@@H]2C)cc1C ZINC000020509557 171230008 /nfs/dbraw/zinc/23/00/08/171230008.db2.gz GUOMVLYIZCTXIY-WFASDCNBSA-N 0 0 297.398 3.557 50 0 CHAARN CC[C@@H](C)n1c2nc(C)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603981 171267219 /nfs/dbraw/zinc/26/72/19/171267219.db2.gz PMZDALLIRGMKPO-SSDOTTSWSA-N 0 0 299.346 3.671 50 0 CHAARN Cn1ncc2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000020615614 171268023 /nfs/dbraw/zinc/26/80/23/171268023.db2.gz VFIVBLXXJWTUPX-UHFFFAOYSA-N 0 0 283.278 3.716 50 0 CHAARN 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CCC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000021149747 171298684 /nfs/dbraw/zinc/29/86/84/171298684.db2.gz KKSZFIBIOYVECX-VIFPVBQESA-N 0 0 266.410 3.643 50 0 CHAARN CC(C)=CC(=O)NCCc1ccc(Cl)cc1Cl ZINC000021273351 171300281 /nfs/dbraw/zinc/30/02/81/171300281.db2.gz RDYKHCQZTQYTCB-UHFFFAOYSA-N 0 0 272.175 3.618 50 0 CHAARN c1sc(Nc2ccccn2)nc1-c1ccc2c(c1)OCO2 ZINC000021364336 171303758 /nfs/dbraw/zinc/30/37/58/171303758.db2.gz SIVNOHJPTWLHQW-UHFFFAOYSA-N 0 0 297.339 3.677 50 0 CHAARN CCc1ccc(NC(=O)c2ncoc2-c2ccco2)cc1 ZINC000021642084 171317858 /nfs/dbraw/zinc/31/78/58/171317858.db2.gz WGAKIFMZTUPYKX-UHFFFAOYSA-N 0 0 282.299 3.749 50 0 CHAARN COc1ccc(-c2nc(-c3ccc(C)s3)no2)cc1 ZINC000021716043 171319510 /nfs/dbraw/zinc/31/95/10/171319510.db2.gz WOVJTQHBNFOSLM-UHFFFAOYSA-N 0 0 272.329 3.782 50 0 CHAARN CC(C)c1cc([C@H]2CCCN2Cc2ccc(O)cc2)no1 ZINC000021720650 171321056 /nfs/dbraw/zinc/32/10/56/171321056.db2.gz QVGRIZICSODTRH-MRXNPFEDSA-N 0 0 286.375 3.841 50 0 CHAARN CCCCn1c2ccccc2nc1[C@H]1CCCN1C(=O)CC ZINC000021787051 171322388 /nfs/dbraw/zinc/32/23/88/171322388.db2.gz FBMZAWGPLYPUBM-MRXNPFEDSA-N 0 0 299.418 3.910 50 0 CHAARN CCCn1c2ccccc2nc1[C@H]1CCCN1C(=O)CC ZINC000021787087 171323041 /nfs/dbraw/zinc/32/30/41/171323041.db2.gz MTARWVNAIZQTQH-OAHLLOKOSA-N 0 0 285.391 3.520 50 0 CHAARN Cc1noc(C)c1C(=O)N1CCC[C@H]1c1ccccc1C ZINC000021791092 171323866 /nfs/dbraw/zinc/32/38/66/171323866.db2.gz JPWSDGGWAHFTNJ-HNNXBMFYSA-N 0 0 284.359 3.577 50 0 CHAARN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2cccs2)no1 ZINC000021790717 171323868 /nfs/dbraw/zinc/32/38/68/171323868.db2.gz PZBRXCBANQLHPS-GFCCVEGCSA-N 0 0 290.388 3.837 50 0 CHAARN Cc1cccc(N[C@@H](C)C(=O)Nc2ccccc2F)c1 ZINC000021818447 171333612 /nfs/dbraw/zinc/33/36/12/171333612.db2.gz BFMFPPISVZCCSX-LBPRGKRZSA-N 0 0 272.323 3.573 50 0 CHAARN Cc1ccccc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000021898775 171336656 /nfs/dbraw/zinc/33/66/56/171336656.db2.gz FLQDQAFJHWJPLQ-OAHLLOKOSA-N 0 0 283.396 3.962 50 0 CHAARN 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O=C(Nc1ccc2oc3ccccc3c2c1)C1CC1 ZINC000023702789 171426341 /nfs/dbraw/zinc/42/63/41/171426341.db2.gz DMWHNABSWPVZQX-UHFFFAOYSA-N 0 0 251.285 3.935 50 0 CHAARN COc1cc(C(C)=O)ccc1Oc1ncnc2ccccc21 ZINC000024057727 171431461 /nfs/dbraw/zinc/43/14/61/171431461.db2.gz SQFNNKQXBGVLSA-UHFFFAOYSA-N 0 0 294.310 3.633 50 0 CHAARN CSc1ncccc1C(=O)Nc1ccc2ccccc2n1 ZINC000024968427 171445278 /nfs/dbraw/zinc/44/52/78/171445278.db2.gz DESFHQVMNAZDMI-UHFFFAOYSA-N 0 0 295.367 3.604 50 0 CHAARN CCOc1ccc(OCC)c(NC(=O)c2occc2C)c1 ZINC000025321131 171454194 /nfs/dbraw/zinc/45/41/94/171454194.db2.gz BHYXUEKNEYLEFS-UHFFFAOYSA-N 0 0 289.331 3.638 50 0 CHAARN O=C(OCc1csc(-c2ccco2)n1)c1ccccc1 ZINC000025456443 171458369 /nfs/dbraw/zinc/45/83/69/171458369.db2.gz CKQHZOJJIKENBD-UHFFFAOYSA-N 0 0 285.324 3.760 50 0 CHAARN Fc1cc2sc(NCc3ccccn3)nc2c(F)c1 ZINC000026422464 171483164 /nfs/dbraw/zinc/48/31/64/171483164.db2.gz VPUBVACACVXXFB-UHFFFAOYSA-N 0 0 277.299 3.582 50 0 CHAARN O=C(NCCc1ccccc1)Nc1cccc2cnccc21 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ZINC000030996655 171628802 /nfs/dbraw/zinc/62/88/02/171628802.db2.gz KSMSRQVWBLUKMK-CQSZACIVSA-N 0 0 293.366 3.627 50 0 CHAARN Cc1nc(C)c(C(=O)N2CC=C(c3ccccc3)CC2)s1 ZINC000031111400 171631193 /nfs/dbraw/zinc/63/11/93/171631193.db2.gz JZYASOAGXHYAPJ-UHFFFAOYSA-N 0 0 298.411 3.689 50 0 CHAARN CCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1C ZINC000031112422 171631344 /nfs/dbraw/zinc/63/13/44/171631344.db2.gz WMOKZWPGGVKXIG-UHFFFAOYSA-N 0 0 282.343 3.596 50 0 CHAARN COc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000031107622 171631460 /nfs/dbraw/zinc/63/14/60/171631460.db2.gz ATNOQLRXBPCHGH-UHFFFAOYSA-N 0 0 293.366 3.625 50 0 CHAARN O=C(N[C@@H](c1cccs1)C1CCCC1)C1CCC1 ZINC000031806307 171647860 /nfs/dbraw/zinc/64/78/60/171647860.db2.gz CAVCZXPYJVHLJO-CQSZACIVSA-N 0 0 263.406 3.896 50 0 CHAARN C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(Cl)s1 ZINC000032037642 171688536 /nfs/dbraw/zinc/68/85/36/171688536.db2.gz GTRHXQVIOZAYSO-VHSXEESVSA-N 0 0 269.797 3.935 50 0 CHAARN CC[C@H](CNC(=O)CCc1ccco1)c1ccccc1 ZINC000032722752 171745617 /nfs/dbraw/zinc/74/56/17/171745617.db2.gz NIHKTQJVNWLSRE-CQSZACIVSA-N 0 0 271.360 3.522 50 0 CHAARN CCCCCCNC(=O)c1cccc2c1O[C@H](C)[C@@H]2C ZINC000032903812 171759405 /nfs/dbraw/zinc/75/94/05/171759405.db2.gz QTWLZBIBJKJXEK-QWHCGFSZSA-N 0 0 275.392 3.881 50 0 CHAARN O=C(Nc1ccc(F)cc1)c1ccc2cc[nH]c2c1 ZINC000032924450 171763159 /nfs/dbraw/zinc/76/31/59/171763159.db2.gz ZJFOBCGREDHYCL-UHFFFAOYSA-N 0 0 254.264 3.559 50 0 CHAARN C[C@H](Cc1ccccc1Cl)NC(=O)[C@@H]1CC=CCC1 ZINC000032930655 171763671 /nfs/dbraw/zinc/76/36/71/171763671.db2.gz VUYLMWDALVFCBT-CHWSQXEVSA-N 0 0 277.795 3.744 50 0 CHAARN COc1ccccc1NC(=O)c1cc(C)n(C(C)C)c1C ZINC000032975883 171765942 /nfs/dbraw/zinc/76/59/42/171765942.db2.gz GJVLJVZGXCWFAF-UHFFFAOYSA-N 0 0 286.375 3.947 50 0 CHAARN Cc1nc(-c2ccc(NC(=O)c3cccc(C)c3)cc2)no1 ZINC000033077066 171769826 /nfs/dbraw/zinc/76/98/26/171769826.db2.gz RRBQJQQRMJMLDO-UHFFFAOYSA-N 0 0 293.326 3.606 50 0 CHAARN CN(C)c1ccc(-c2noc(-c3ccccc3F)n2)cc1 ZINC000033255550 171775820 /nfs/dbraw/zinc/77/58/20/171775820.db2.gz SCZDBIAXHYGQSE-UHFFFAOYSA-N 0 0 283.306 3.609 50 0 CHAARN COc1ccc(CCCC(=O)c2ccc(OC)cc2)cc1 ZINC000033605968 171814508 /nfs/dbraw/zinc/81/45/08/171814508.db2.gz HCSVINSPTVVFOA-UHFFFAOYSA-N 0 0 284.355 3.909 50 0 CHAARN CC(C)(C)OC(=O)N1CC=C(c2ccccc2)CC1 ZINC000034558050 171844186 /nfs/dbraw/zinc/84/41/86/171844186.db2.gz OESDBFQMFCAJFP-UHFFFAOYSA-N 0 0 259.349 3.711 50 0 CHAARN Cc1ccc2ncn(C3CCN(C(=O)CC(C)C)CC3)c2c1 ZINC000034915243 171892721 /nfs/dbraw/zinc/89/27/21/171892721.db2.gz LYTDIKIOOKTRGO-UHFFFAOYSA-N 0 0 299.418 3.554 50 0 CHAARN CCc1cccc(CC)c1NC(=S)N[C@H](C)CC ZINC000035082038 171967466 /nfs/dbraw/zinc/96/74/66/171967466.db2.gz SVRARWXEFNZPMJ-LLVKDONJSA-N 0 0 264.438 3.896 50 0 CHAARN Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000035333069 172131927 /nfs/dbraw/zinc/13/19/27/172131927.db2.gz KCYUSMAAYVFSGW-UHFFFAOYSA-N 0 0 254.264 3.748 50 0 CHAARN Cc1nn(C(=O)Nc2cccc(F)c2)c2ccccc12 ZINC000035422280 172190603 /nfs/dbraw/zinc/19/06/03/172190603.db2.gz BOCHXANUJSCWGO-UHFFFAOYSA-N 0 0 269.279 3.564 50 0 CHAARN Cc1noc2nc(C)nc(Nc3ccc(Cl)cc3)c12 ZINC000035479077 172221642 /nfs/dbraw/zinc/22/16/42/172221642.db2.gz QYJJIJVXLAJKBC-UHFFFAOYSA-N 0 0 274.711 3.632 50 0 CHAARN CC[C@@H](C)NC(=O)c1ccc(-c2ccc(C)cc2)nc1 ZINC000035514795 172243177 /nfs/dbraw/zinc/24/31/77/172243177.db2.gz VRJADQQTAQRDAS-CYBMUJFWSA-N 0 0 268.360 3.585 50 0 CHAARN Cc1noc2nc(C)nc(Nc3ccc(C)c(Cl)c3)c12 ZINC000035528813 172243711 /nfs/dbraw/zinc/24/37/11/172243711.db2.gz IQQSVKSHUHFZIE-UHFFFAOYSA-N 0 0 288.738 3.940 50 0 CHAARN Cc1cccc([C@@H]2c3cccn3CCN2C(=O)CC(C)C)c1 ZINC000035818723 172423113 /nfs/dbraw/zinc/42/31/13/172423113.db2.gz MHQMJQUQJNHJOD-LJQANCHMSA-N 0 0 296.414 3.774 50 0 CHAARN CC(C)CC(=O)N(Cc1cc(-c2ccccc2)on1)C1CC1 ZINC000036004565 172427612 /nfs/dbraw/zinc/42/76/12/172427612.db2.gz FUSCPHJXYUVUGT-UHFFFAOYSA-N 0 0 298.386 3.879 50 0 CHAARN O=C(Nc1ccc(F)cc1)c1snnc1-c1ccccc1 ZINC000036365027 172625749 /nfs/dbraw/zinc/62/57/49/172625749.db2.gz UFQBORYJKWWESZ-UHFFFAOYSA-N 0 0 299.330 3.597 50 0 CHAARN CCOC(=O)c1sc(-c2ccc(CC)cc2)cc1N ZINC000037337717 173138179 /nfs/dbraw/zinc/13/81/79/173138179.db2.gz WZFQRBWTPQLHQK-UHFFFAOYSA-N 0 0 275.373 3.736 50 0 CHAARN O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]1c1ccsc1 ZINC000037503754 173239774 /nfs/dbraw/zinc/23/97/74/173239774.db2.gz HGAMFAVDAFNNOV-OAHLLOKOSA-N 0 0 297.383 3.602 50 0 CHAARN Cc1cc2c(cc(C(=O)NC3CC3)n2CC2CCC2)s1 ZINC000037541833 173263815 /nfs/dbraw/zinc/26/38/15/173263815.db2.gz FWNJCDNDJZSZOY-UHFFFAOYSA-N 0 0 288.416 3.704 50 0 CHAARN Nc1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1 ZINC000038040267 174040514 /nfs/dbraw/zinc/04/05/14/174040514.db2.gz TVINDEPPMFUWBQ-UHFFFAOYSA-N 0 0 255.651 3.993 50 0 CHAARN CCc1cc2c(n1Cc1ccccc1)CCCC2=O ZINC000038285032 174138961 /nfs/dbraw/zinc/13/89/61/174138961.db2.gz WAZKIRPFJTZRDA-UHFFFAOYSA-N 0 0 253.345 3.618 50 0 in-vitro CHAARN Cc1nnc(-c2ccc3cc(Br)ccc3c2)o1 ZINC000038537335 174145486 /nfs/dbraw/zinc/14/54/86/174145486.db2.gz AHEAYMGVAUKTMZ-UHFFFAOYSA-N 0 0 289.132 3.961 50 0 CHAARN O=C(CC1CCCCC1)N1CC[C@H](c2ccccc2)C1 ZINC000038566891 174146753 /nfs/dbraw/zinc/14/67/53/174146753.db2.gz GRFXBQPUESHYFX-KRWDZBQOSA-N 0 0 271.404 3.973 50 0 CHAARN O=C(NCc1ccc(F)cc1)N1CC[C@@H](c2ccccc2)C1 ZINC000038567339 174147437 /nfs/dbraw/zinc/14/74/37/174147437.db2.gz SRCNFFLFOLBRMG-MRXNPFEDSA-N 0 0 298.361 3.525 50 0 CHAARN O=C(NCC1(c2ccc(F)cc2)CC1)Oc1ccccc1 ZINC000038591136 174148635 /nfs/dbraw/zinc/14/86/35/174148635.db2.gz ZVSGKJPLSKTVPN-UHFFFAOYSA-N 0 0 285.318 3.646 50 0 CHAARN O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)c2ccccc21 ZINC000038671283 174151325 /nfs/dbraw/zinc/15/13/25/174151325.db2.gz SUEAAYJXUVSFGU-GFCCVEGCSA-N 0 0 285.730 3.649 50 0 CHAARN Cc1cc(NC(=O)C2(c3cccs3)CCCC2)sn1 ZINC000038680616 174151958 /nfs/dbraw/zinc/15/19/58/174151958.db2.gz PCUYJQGRJQTTLF-UHFFFAOYSA-N 0 0 292.429 3.964 50 0 CHAARN NN=c1cc(-c2ccccc2)c2cc(Cl)ccc2[nH]1 ZINC000039254022 174167199 /nfs/dbraw/zinc/16/71/99/174167199.db2.gz MVXICPVSKYVBPC-UHFFFAOYSA-N 0 0 269.735 3.841 50 0 CHAARN Cc1ccccc1CNC(=O)c1c(F)cccc1Cl ZINC000039496429 174169312 /nfs/dbraw/zinc/16/93/12/174169312.db2.gz RERLABAICZLCEI-UHFFFAOYSA-N 0 0 277.726 3.718 50 0 CHAARN O=C(OC1CCCCCC1)c1cc(Cl)ccn1 ZINC000039976088 174180188 /nfs/dbraw/zinc/18/01/88/174180188.db2.gz XPBDEPRJVPSTAK-UHFFFAOYSA-N 0 0 253.729 3.615 50 0 CHAARN Cc1ccc(SCCNC(=O)C[C@H]2C=CCC2)cc1C ZINC000039978509 174181010 /nfs/dbraw/zinc/18/10/10/174181010.db2.gz XNVYKZPSYKFDEM-HNNXBMFYSA-N 0 0 289.444 3.868 50 0 CHAARN O=C(Nc1ccc2ccccc2n1)c1cccc(F)c1 ZINC000039976163 174181055 /nfs/dbraw/zinc/18/10/55/174181055.db2.gz KHLOWUCVNVXAKA-UHFFFAOYSA-N 0 0 266.275 3.626 50 0 CHAARN Cc1ccc(C(=O)Nc2ccnn2C2CCCC2)s1 ZINC000039978500 174181080 /nfs/dbraw/zinc/18/10/80/174181080.db2.gz OCOODVDIYMXYBJ-UHFFFAOYSA-N 0 0 275.377 3.620 50 0 CHAARN Fc1ccc(Oc2ncnc3ccsc32)c(F)c1 ZINC000040018054 174182987 /nfs/dbraw/zinc/18/29/87/174182987.db2.gz STEMVNFBBOABAR-UHFFFAOYSA-N 0 0 264.256 3.762 50 0 CHAARN CCC[C@@H](C)NC(=O)Nc1cccc2ncccc21 ZINC000040023788 174183344 /nfs/dbraw/zinc/18/33/44/174183344.db2.gz ISLXLFNRKYKOCM-LLVKDONJSA-N 0 0 257.337 3.545 50 0 CHAARN COc1ccc(NC(=O)N(CCC(C)C)C2CC2)cc1 ZINC000040067749 174186459 /nfs/dbraw/zinc/18/64/59/174186459.db2.gz LUCUHHUEWRBOSC-UHFFFAOYSA-N 0 0 276.380 3.738 50 0 CHAARN Cc1cc2cc(NC(=O)Cc3cccc(F)c3)ccc2[nH]1 ZINC000040072695 174186732 /nfs/dbraw/zinc/18/67/32/174186732.db2.gz FOROALIPWRBJAC-UHFFFAOYSA-N 0 0 282.318 3.797 50 0 CHAARN Cc1cc2cc(NC(=O)c3cccc(F)c3)ccc2[nH]1 ZINC000040072705 174186964 /nfs/dbraw/zinc/18/69/64/174186964.db2.gz KWKOPQHJMPQVPD-UHFFFAOYSA-N 0 0 268.291 3.868 50 0 CHAARN C[C@]1(C(=O)NCCC2CCCCC2)CC1(Cl)Cl ZINC000040074538 174187145 /nfs/dbraw/zinc/18/71/45/174187145.db2.gz JEMKQULHUNZPJL-GFCCVEGCSA-N 0 0 278.223 3.657 50 0 CHAARN Cc1cc2cc(NC(=O)/C=C/c3ccco3)ccc2[nH]1 ZINC000040081308 174187664 /nfs/dbraw/zinc/18/76/64/174187664.db2.gz UYWWFJSEOMYYNW-FNORWQNLSA-N 0 0 266.300 3.721 50 0 CHAARN Cc1ccc([C@@H](C)NC(=O)CSc2cccs2)o1 ZINC000040086614 174188089 /nfs/dbraw/zinc/18/80/89/174188089.db2.gz YFAJEIGJBOQJHS-SNVBAGLBSA-N 0 0 281.402 3.619 50 0 CHAARN CC(C)C(=O)Nc1ccccc1OCCc1ccccc1 ZINC000040090789 174189349 /nfs/dbraw/zinc/18/93/49/174189349.db2.gz SNPZKADSBAPSKH-UHFFFAOYSA-N 0 0 283.371 3.903 50 0 CHAARN C[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2)C1 ZINC000040095211 174189799 /nfs/dbraw/zinc/18/97/99/174189799.db2.gz FLBHZWZQNZKWHD-SNVBAGLBSA-N 0 0 297.196 3.713 50 0 CHAARN CC(C)[C@H](C)NC(=O)Nc1ccccc1C(F)(F)F ZINC000040096021 174190040 /nfs/dbraw/zinc/19/00/40/174190040.db2.gz CXCBQAWLCGGTBS-VIFPVBQESA-N 0 0 274.286 3.871 50 0 CHAARN COCCN(CC(C)C)C(=O)Nc1ccc(Cl)cc1C ZINC000040096444 174190189 /nfs/dbraw/zinc/19/01/89/174190189.db2.gz YHOPEAAREIQJCH-UHFFFAOYSA-N 0 0 298.814 3.785 50 0 CHAARN Cc1ccc(F)cc1NC(=O)NCCc1cccs1 ZINC000040097794 174190655 /nfs/dbraw/zinc/19/06/55/174190655.db2.gz MOCXLBNBWFPFKY-UHFFFAOYSA-N 0 0 278.352 3.560 50 0 CHAARN Cc1cc(F)ccc1NC(=O)NC1CCC(C)CC1 ZINC000040103559 174190700 /nfs/dbraw/zinc/19/07/00/174190700.db2.gz LILHWYOVTVYAOM-UHFFFAOYSA-N 0 0 264.344 3.834 50 0 CHAARN CSc1ccc(NC(=O)N[C@@H](C)C(C)C)cc1 ZINC000040104225 174191305 /nfs/dbraw/zinc/19/13/05/174191305.db2.gz RONIRFOEOHBDSN-JTQLQIEISA-N 0 0 252.383 3.575 50 0 CHAARN O=C(c1ccc(Cl)o1)N1CCC[C@H]1c1ccsc1 ZINC000040107732 174192328 /nfs/dbraw/zinc/19/23/28/174192328.db2.gz WCSXHTPUENQJPR-JTQLQIEISA-N 0 0 281.764 3.972 50 0 CHAARN Cc1cccc(C(=O)N[C@H](C)c2ccccc2OC(C)C)n1 ZINC000040121696 174193366 /nfs/dbraw/zinc/19/33/66/174193366.db2.gz OOZGLOVKVKDIGU-CQSZACIVSA-N 0 0 298.386 3.668 50 0 CHAARN CC[C@@H](C)[C@H](NC(=O)C1CCC1)c1nc2ccccc2[nH]1 ZINC000040146160 174195064 /nfs/dbraw/zinc/19/50/64/174195064.db2.gz GBUOVPSOJMUCFN-ABAIWWIYSA-N 0 0 285.391 3.566 50 0 CHAARN O=C(CCCc1ccccc1)Nc1ccc2[nH]cnc2c1 ZINC000040268756 174218639 /nfs/dbraw/zinc/21/86/39/174218639.db2.gz DQJPMJQUQUQURL-UHFFFAOYSA-N 0 0 279.343 3.524 50 0 CHAARN FC(F)(F)c1cccc(Nc2ccnc(Cl)n2)c1 ZINC000040448064 174265411 /nfs/dbraw/zinc/26/54/11/174265411.db2.gz GDUOQVTYODIQLI-UHFFFAOYSA-N 0 0 273.645 3.892 50 0 CHAARN Clc1nccc(Oc2cccc(Br)c2)n1 ZINC000040448043 174265439 /nfs/dbraw/zinc/26/54/39/174265439.db2.gz DMERUVIIZWJDCR-UHFFFAOYSA-N 0 0 285.528 3.685 50 0 CHAARN CSc1ccc(CN(C)C(=O)C2CCCC2)cc1 ZINC000040457441 174268076 /nfs/dbraw/zinc/26/80/76/174268076.db2.gz PWTHXYHHFJWXIR-UHFFFAOYSA-N 0 0 263.406 3.557 50 0 CHAARN Cc1cccc(NCc2nc(-c3ccsc3)no2)c1 ZINC000040473145 174281361 /nfs/dbraw/zinc/28/13/61/174281361.db2.gz HKUDEJNFVGJABB-UHFFFAOYSA-N 0 0 271.345 3.719 50 0 CHAARN O=C(Nc1ccccc1O)c1ccccc1C(F)(F)F ZINC000040476220 174282841 /nfs/dbraw/zinc/28/28/41/174282841.db2.gz AOXJIDSQNUJXPN-UHFFFAOYSA-N 0 0 281.233 3.663 50 0 CHAARN Cc1noc(C)c1CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000040487885 174289533 /nfs/dbraw/zinc/28/95/33/174289533.db2.gz RVJNBCGKMCAXPT-JTQLQIEISA-N 0 0 280.318 3.763 50 0 CHAARN CN(C(=O)c1ccsc1)[C@@H]1CCc2ccccc21 ZINC000040489739 174291538 /nfs/dbraw/zinc/29/15/38/174291538.db2.gz RVEMMOQAZCLPAA-CQSZACIVSA-N 0 0 257.358 3.508 50 0 CHAARN C[C@H](CCc1ccco1)NC(=O)N(C)Cc1cccs1 ZINC000040497857 174295419 /nfs/dbraw/zinc/29/54/19/174295419.db2.gz RHOGZVUTKBCVIJ-GFCCVEGCSA-N 0 0 292.404 3.504 50 0 CHAARN Cc1nc(-c2ccc(NC(=O)N3CCCC3)cc2)cs1 ZINC000040498732 174296064 /nfs/dbraw/zinc/29/60/64/174296064.db2.gz AMYKYJIKGXGDCG-UHFFFAOYSA-N 0 0 287.388 3.746 50 0 CHAARN Cc1ccc(CNCc2c(Cl)nc3sccn32)cc1 ZINC000040513722 174305865 /nfs/dbraw/zinc/30/58/65/174305865.db2.gz SIOGPMUBERJMCE-UHFFFAOYSA-N 0 0 291.807 3.647 50 0 CHAARN CCc1cccc(C)c1NC(=O)N1CCCC[C@@H]1C ZINC000040525499 174313743 /nfs/dbraw/zinc/31/37/43/174313743.db2.gz WVUZGBSBJPHMTR-ZDUSSCGKSA-N 0 0 260.381 3.964 50 0 CHAARN Cc1ccc(F)cc1NC(=O)N(Cc1ccccn1)C1CC1 ZINC000040525985 174313821 /nfs/dbraw/zinc/31/38/21/174313821.db2.gz NPNFJYTXXMYLIR-UHFFFAOYSA-N 0 0 299.349 3.726 50 0 CHAARN COCc1ccccc1NC(=O)N[C@@H](C)c1ccccc1 ZINC000040527954 174314914 /nfs/dbraw/zinc/31/49/14/174314914.db2.gz AKFXGYFXOKCOMD-ZDUSSCGKSA-N 0 0 284.359 3.716 50 0 CHAARN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccnc(F)c1 ZINC000041039538 174462120 /nfs/dbraw/zinc/46/21/20/174462120.db2.gz AMPKLIACPHOENE-CHWSQXEVSA-N 0 0 278.371 3.555 50 0 CHAARN CC(C)CNC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000042947415 174922091 /nfs/dbraw/zinc/92/20/91/174922091.db2.gz MMAHEWUJJSKEDM-AWEZNQCLSA-N 0 0 280.799 3.843 50 0 CHAARN O=C(c1ccc(F)c(Cl)c1)c1cc(F)cc(F)c1 ZINC000043210042 174983831 /nfs/dbraw/zinc/98/38/31/174983831.db2.gz KGLCFDLGFGHECH-UHFFFAOYSA-N 0 0 270.637 3.988 50 0 CHAARN CC(C)CN(C(=O)Nc1ccc2c(c1)CCC2)C1CC1 ZINC000043389549 175033699 /nfs/dbraw/zinc/03/36/99/175033699.db2.gz XWMBXGWBNIIIHZ-UHFFFAOYSA-N 0 0 272.392 3.828 50 0 CHAARN Cc1cc(F)ccc1NC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000043420641 175038897 /nfs/dbraw/zinc/03/88/97/175038897.db2.gz YXQYMBLCAGMOMD-GWCFXTLKSA-N 0 0 264.344 3.834 50 0 CHAARN Cc1nc(Nc2ccc(C)cc2)sc1-c1ccnc(N)n1 ZINC000043796823 175105929 /nfs/dbraw/zinc/10/59/29/175105929.db2.gz OQYGKRWZQLIGPR-UHFFFAOYSA-N 0 0 297.387 3.543 50 0 CHAARN O=C(Cc1cccs1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000044231207 175155071 /nfs/dbraw/zinc/15/50/71/175155071.db2.gz AJOTXCWNBYRRJD-UWVGGRQHSA-N 0 0 291.338 3.528 50 0 CHAARN C[C@H](Cc1ccco1)NC(=O)CCSc1ccccc1 ZINC000044443900 175176075 /nfs/dbraw/zinc/17/60/75/175176075.db2.gz WPFFAYJBQJBHKK-CYBMUJFWSA-N 0 0 289.400 3.509 50 0 CHAARN Cc1nc(C)c(C(=O)N(C)[C@H](C)c2ccc(F)cc2)s1 ZINC000044890193 175272749 /nfs/dbraw/zinc/27/27/49/175272749.db2.gz IODSOIIHUBVOLW-SNVBAGLBSA-N 0 0 292.379 3.732 50 0 CHAARN COc1ccccc1[C@H](C)N(C)C(=O)[C@@H]1CC=CCC1 ZINC000044909042 175275343 /nfs/dbraw/zinc/27/53/43/175275343.db2.gz HWXMJIPGSFRNAD-UONOGXRCSA-N 0 0 273.376 3.571 50 0 CHAARN CC(C)(C)c1nnc(CN2CCC[C@H]2c2cccs2)o1 ZINC000044914522 175276354 /nfs/dbraw/zinc/27/63/54/175276354.db2.gz FONICMPHCOFGLN-NSHDSACASA-N 0 0 291.420 3.766 50 0 CHAARN Fc1cc(Br)ccc1-c1cccnc1 ZINC000045028364 175293264 /nfs/dbraw/zinc/29/32/64/175293264.db2.gz WEEPKYIVYBXCSK-UHFFFAOYSA-N 0 0 252.086 3.650 50 0 CHAARN O=C(CCC1CCCC1)Nc1ccnn1Cc1ccccc1 ZINC000045289940 175354057 /nfs/dbraw/zinc/35/40/57/175354057.db2.gz QSQSIVCXWOROAA-UHFFFAOYSA-N 0 0 297.402 3.840 50 0 CHAARN Cc1ccc(CN(C(=O)Cc2ccc(F)cc2)C2CC2)cc1 ZINC000045495264 175380958 /nfs/dbraw/zinc/38/09/58/175380958.db2.gz BKHDJPQLHAIKHL-UHFFFAOYSA-N 0 0 297.373 3.868 50 0 CHAARN COc1ccccc1CN(C)C(=O)c1ccc(C)cc1C ZINC000045477496 175381054 /nfs/dbraw/zinc/38/10/54/175381054.db2.gz VDFJVIMQQFPPRQ-UHFFFAOYSA-N 0 0 283.371 3.584 50 0 CHAARN C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccccc1F ZINC000045954206 175389083 /nfs/dbraw/zinc/38/90/83/175389083.db2.gz SXTXKNSFJDSIII-SWLSCSKDSA-N 0 0 294.370 3.543 50 0 CHAARN CCc1nc(NC(=O)CCc2ccccc2)sc1C ZINC000047424514 175407684 /nfs/dbraw/zinc/40/76/84/175407684.db2.gz VWCOHODTHICTME-UHFFFAOYSA-N 0 0 274.389 3.585 50 0 CHAARN Cc1ccc(C(=O)N[C@H](C)c2ccccc2OC(C)C)cn1 ZINC000048332590 175428085 /nfs/dbraw/zinc/42/80/85/175428085.db2.gz JKKGVAOZZIGYFE-CQSZACIVSA-N 0 0 298.386 3.668 50 0 CHAARN C[C@@H]1c2cccn2CCN1Cc1ncc(-c2ccccc2)o1 ZINC000048364097 175430718 /nfs/dbraw/zinc/43/07/18/175430718.db2.gz DDPZSYDKFLRFIM-CQSZACIVSA-N 0 0 293.370 3.720 50 0 CHAARN O=C(N[C@H]1CCc2ccccc21)c1ccc(Cl)cc1 ZINC000048412021 175432473 /nfs/dbraw/zinc/43/24/73/175432473.db2.gz LLCNVCBCEVNRCS-HNNXBMFYSA-N 0 0 271.747 3.757 50 0 CHAARN CCSCc1ccc(C(=O)Nc2nccs2)cc1 ZINC000048629126 175440697 /nfs/dbraw/zinc/44/06/97/175440697.db2.gz LOQLMYDOZZGCDQ-UHFFFAOYSA-N 0 0 278.402 3.649 50 0 CHAARN CC(C)CNC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000048844885 175451080 /nfs/dbraw/zinc/45/10/80/175451080.db2.gz VTBVIBRMEUMJIZ-CQSZACIVSA-N 0 0 280.799 3.843 50 0 CHAARN Cc1nc(Cl)c(Cl)n1Cc1ccc(Cl)nc1 ZINC000049538527 175486354 /nfs/dbraw/zinc/48/63/54/175486354.db2.gz UOYCIQMEPZLFQS-UHFFFAOYSA-N 0 0 276.554 3.595 50 0 CHAARN CC(C)c1nnc(-c2ccc(Br)cc2)o1 ZINC000050308866 175514356 /nfs/dbraw/zinc/51/43/56/175514356.db2.gz 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298.367 3.974 50 0 CHAARN Cc1cc(C)cc(NC(=O)c2cc3ccccc3oc2=N)c1 ZINC000067341942 175773499 /nfs/dbraw/zinc/77/34/99/175773499.db2.gz VZWXTNODMGYRLE-UHFFFAOYSA-N 0 0 292.338 3.781 50 0 CHAARN Cc1cccc(-c2cn([C@@H]3CCCc4ccccc43)nn2)n1 ZINC000067691946 175784949 /nfs/dbraw/zinc/78/49/49/175784949.db2.gz AXBQVEDXAISUOO-GOSISDBHSA-N 0 0 290.370 3.574 50 0 CHAARN O=C(O[C@H](c1ccccc1)c1ccncc1)c1ccco1 ZINC000068724784 175813398 /nfs/dbraw/zinc/81/33/98/175813398.db2.gz YUQBEUYIRVFHEG-MRXNPFEDSA-N 0 0 279.295 3.621 50 0 CHAARN O=C(CC(F)(F)F)N1CCCC[C@@H]1Cc1ccccc1 ZINC000069492777 175835094 /nfs/dbraw/zinc/83/50/94/175835094.db2.gz OLTNYKHXRCIORG-CYBMUJFWSA-N 0 0 285.309 3.563 50 0 CHAARN Cc1noc2ncc(-c3nnc(-c4ccccc4C)o3)cc12 ZINC000069659436 175846058 /nfs/dbraw/zinc/84/60/58/175846058.db2.gz HGQVOTDKLXXZCA-UHFFFAOYSA-N 0 0 292.298 3.557 50 0 CHAARN Clc1cncc(NCC2(c3ccccc3)CCC2)n1 ZINC000070037477 175868824 /nfs/dbraw/zinc/86/88/24/175868824.db2.gz BWURAZGIHYSRCR-UHFFFAOYSA-N 0 0 273.767 3.664 50 0 CHAARN Cc1ncc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)s1 ZINC000071186091 176060209 /nfs/dbraw/zinc/06/02/09/176060209.db2.gz JWBHSYMCUBIFQC-QMMMGPOBSA-N 0 0 296.342 3.563 50 0 CHAARN C[C@]12CCCN1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000071375410 176140725 /nfs/dbraw/zinc/14/07/25/176140725.db2.gz AGGZNHZDPVJPAL-IBGZPJMESA-N 0 0 292.382 3.659 50 0 CHAARN Fc1ccc(-c2cnn3c2nccc3-c2ccco2)cc1 ZINC000071376166 176141292 /nfs/dbraw/zinc/14/12/92/176141292.db2.gz XULOJXVJQPFASE-UHFFFAOYSA-N 0 0 279.274 3.795 50 0 CHAARN C[C@@H](Cc1cccnc1)Nc1nccc(C2CCCC2)n1 ZINC000071415796 176160322 /nfs/dbraw/zinc/16/03/22/176160322.db2.gz KNIKGBNVDLFKBI-ZDUSSCGKSA-N 0 0 282.391 3.572 50 0 CHAARN CCC(CC)CC(=O)N1CC[C@@H]1c1ccc(F)cc1 ZINC000071552200 176196642 /nfs/dbraw/zinc/19/66/42/176196642.db2.gz BJRVRZHWMNXWRG-OAHLLOKOSA-N 0 0 263.356 3.925 50 0 CHAARN Nc1ccnc(-c2ccc(C3CCCCC3)cc2)n1 ZINC000071574892 176201743 /nfs/dbraw/zinc/20/17/43/176201743.db2.gz KLYUXQWGQJWMLP-UHFFFAOYSA-N 0 0 253.349 3.774 50 0 CHAARN CC[C@H](c1nn2c(nnc2C(C)C)s1)c1ccccc1 ZINC000071760125 176261492 /nfs/dbraw/zinc/26/14/92/176261492.db2.gz YOJBHKGPSFJFIZ-LBPRGKRZSA-N 0 0 286.404 3.851 50 0 CHAARN C[C@@H](SCc1cccc(F)c1)C(=O)NC1CCCC1 ZINC000071818597 176270029 /nfs/dbraw/zinc/27/00/29/176270029.db2.gz QAUDWXLVISWFFQ-LLVKDONJSA-N 0 0 281.396 3.506 50 0 CHAARN O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000071835208 176274342 /nfs/dbraw/zinc/27/43/42/176274342.db2.gz ATEVPZOJIBNDIH-ARFHVFGLSA-N 0 0 299.345 3.886 50 0 CHAARN COCCCCC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000071915260 176298685 /nfs/dbraw/zinc/29/86/85/176298685.db2.gz XYWQAUQCTWRGER-HZPDHXFCSA-N 0 0 289.419 3.516 50 0 CHAARN CC(C)c1nnc(CSc2nc3ccccc3o2)o1 ZINC000072086427 176313944 /nfs/dbraw/zinc/31/39/44/176313944.db2.gz HEAKBJVXQLGCHE-UHFFFAOYSA-N 0 0 275.333 3.627 50 0 CHAARN O=C1C[C@@H](c2cccc(F)c2)c2cnn(C3CCCC3)c2N1 ZINC000072115735 176318384 /nfs/dbraw/zinc/31/83/84/176318384.db2.gz PUHRPGGEBYITHW-AWEZNQCLSA-N 0 0 299.349 3.611 50 0 CHAARN CC[C@@H](Nc1ccc2cc[nH]c2n1)c1ccncc1 ZINC000072149833 176326473 /nfs/dbraw/zinc/32/64/73/176326473.db2.gz UIQWFNMJMNJMOG-CYBMUJFWSA-N 0 0 252.321 3.521 50 0 CHAARN C[C@@H](Cc1ccncc1)Nc1cc(Cl)c2cc[nH]c2n1 ZINC000072156543 176328621 /nfs/dbraw/zinc/32/86/21/176328621.db2.gz FBLCKRNSFJACKC-JTQLQIEISA-N 0 0 286.766 3.654 50 0 CHAARN CCn1nc(C)c2nc(C(C)C)nc(NC3CCCC3)c21 ZINC000072238331 176346753 /nfs/dbraw/zinc/34/67/53/176346753.db2.gz MOBCZFNUSOLSEW-UHFFFAOYSA-N 0 0 287.411 3.633 50 0 CHAARN CCOc1cc(C(=O)N(C)Cc2ccco2)cc2occc21 ZINC000072240110 176348141 /nfs/dbraw/zinc/34/81/41/176348141.db2.gz UBHGRPWWPVJDCJ-UHFFFAOYSA-N 0 0 299.326 3.697 50 0 CHAARN O=C(Nc1nccs1)c1cc(-c2ccco2)cs1 ZINC000072243249 176349734 /nfs/dbraw/zinc/34/97/34/176349734.db2.gz KQMQOJRJRRVIPQ-UHFFFAOYSA-N 0 0 276.342 3.717 50 0 CHAARN COCc1nc(CN(C)[C@@H](C)c2ccccc2F)cs1 ZINC000072304863 176365965 /nfs/dbraw/zinc/36/59/65/176365965.db2.gz HZBSFUSUFXCNET-NSHDSACASA-N 0 0 294.395 3.622 50 0 CHAARN Cc1cccc(Cl)c1NCC(=O)N(C)c1ccccc1 ZINC000072312412 176367682 /nfs/dbraw/zinc/36/76/82/176367682.db2.gz CDMQMSAOZQWDJW-UHFFFAOYSA-N 0 0 288.778 3.723 50 0 CHAARN O=C(N[C@H]1CCc2ccccc21)c1cc(F)ccc1Cl ZINC000072331807 176370642 /nfs/dbraw/zinc/37/06/42/176370642.db2.gz XWXOXRIAJWDFLA-HNNXBMFYSA-N 0 0 289.737 3.896 50 0 CHAARN CCCCC(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000072402731 176397043 /nfs/dbraw/zinc/39/70/43/176397043.db2.gz WIYSHNVVTMNCMX-AWEZNQCLSA-N 0 0 287.363 3.543 50 0 CHAARN CCCCC(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000072402732 176397046 /nfs/dbraw/zinc/39/70/46/176397046.db2.gz WIYSHNVVTMNCMX-CQSZACIVSA-N 0 0 287.363 3.543 50 0 CHAARN O=C1C[C@H](c2ccccc2)c2cnn(Cc3ccco3)c2N1 ZINC000072404938 176397347 /nfs/dbraw/zinc/39/73/47/176397347.db2.gz ZJNCYAXHNPXANC-CQSZACIVSA-N 0 0 293.326 3.648 50 0 CHAARN O=C1C[C@H](c2ccsc2)c2cnn(Cc3ccco3)c2N1 ZINC000072403446 176397396 /nfs/dbraw/zinc/39/73/96/176397396.db2.gz OOSQJSVMRYLVHH-GFCCVEGCSA-N 0 0 299.355 3.710 50 0 CHAARN 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/nfs/dbraw/zinc/82/28/11/567822811.db2.gz MQTJMLVICXZWAH-UHFFFAOYSA-N 0 0 280.121 3.603 50 0 CHAARN Cc1ccc(NC(=S)NCc2ccccc2)c(C)c1 ZINC000000240281 567823040 /nfs/dbraw/zinc/82/30/40/567823040.db2.gz USBADLZBOUJWQZ-UHFFFAOYSA-N 0 0 270.401 3.790 50 0 CHAARN COC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000000258914 567823411 /nfs/dbraw/zinc/82/34/11/567823411.db2.gz WOEGGBRWIKORFL-UHFFFAOYSA-N 0 0 268.316 3.707 50 0 biogenic CHAARN CC(=O)C(Cc1ccccc1)(Cc1ccccc1)C(C)=O ZINC000000270748 567823538 /nfs/dbraw/zinc/82/35/38/567823538.db2.gz IKFXMLZJSMZDSV-UHFFFAOYSA-N 0 0 280.367 3.636 50 0 CHAARN CCN(CC)c1ccc(C(=O)n2cnc3ccccc32)cc1 ZINC000000279266 567823721 /nfs/dbraw/zinc/82/37/21/567823721.db2.gz ORPXTNFWZCYREN-UHFFFAOYSA-N 0 0 293.370 3.571 50 0 CHAARN Cc1nc2ccccc2n1CCOc1ccc(C)cc1 ZINC000000291649 567823838 /nfs/dbraw/zinc/82/38/38/567823838.db2.gz PQJZMXBWFCAZTB-UHFFFAOYSA-N 0 0 266.344 3.732 50 0 CHAARN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000000307188 567824503 /nfs/dbraw/zinc/82/45/03/567824503.db2.gz LAKYLQOLWMIUDK-LLVKDONJSA-N 0 0 289.762 3.840 50 0 CHAARN CC[C@@H](C(=O)Nc1nc(C)cs1)c1ccccc1 ZINC000000303335 567824532 /nfs/dbraw/zinc/82/45/32/567824532.db2.gz KTGBVMQPWPDEPZ-GFCCVEGCSA-N 0 0 260.362 3.584 50 0 CHAARN COc1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1 ZINC000000302622 567824604 /nfs/dbraw/zinc/82/46/04/567824604.db2.gz BPYJDBLDFPYEMS-UHFFFAOYSA-N 0 0 295.382 3.715 50 0 CHAARN Cc1cc(Cl)ccc1NC(=S)NC1CCCC1 ZINC000000306069 567824613 /nfs/dbraw/zinc/82/46/13/567824613.db2.gz MOPNGZHKBUWPLY-UHFFFAOYSA-N 0 0 268.813 3.877 50 0 CHAARN Cc1cc(C)c2c(=O)cc(C(F)(F)C(F)F)oc2c1 ZINC000000306487 567824727 /nfs/dbraw/zinc/82/47/27/567824727.db2.gz BEYPOHFCKNIGMU-UHFFFAOYSA-N 0 0 274.213 3.767 50 0 CHAARN CCc1ccc(OCC(=O)Nc2cc(F)ccc2C)cc1 ZINC000000312703 567824891 /nfs/dbraw/zinc/82/48/91/567824891.db2.gz SMULBEGACZBXPS-UHFFFAOYSA-N 0 0 287.334 3.714 50 0 CHAARN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccccc1 ZINC000000318488 567825281 /nfs/dbraw/zinc/82/52/81/567825281.db2.gz XGGBKANBFOGYAV-HOTGVXAUSA-N 0 0 297.398 3.591 50 0 CHAARN Cc1ccccc1/C=C1/N=C(c2ccccc2C)OC1=O ZINC000000315636 567825330 /nfs/dbraw/zinc/82/53/30/567825330.db2.gz OHDGENFZDYUWQD-LFIBNONCSA-N 0 0 277.323 3.648 50 0 CHAARN Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1Cl ZINC000000316714 567825407 /nfs/dbraw/zinc/82/54/07/567825407.db2.gz NBFHVYNMISCBQW-UHFFFAOYSA-N 0 0 277.726 3.718 50 0 CHAARN Brc1cnc2ccccc2c1Br ZINC000000331128 567825569 /nfs/dbraw/zinc/82/55/69/567825569.db2.gz LLLPNGRKHYDSQJ-UHFFFAOYSA-N 0 0 286.954 3.760 50 0 CHAARN O=C(CCSc1ccc(Cl)cc1)NCc1ccco1 ZINC000000331331 567825581 /nfs/dbraw/zinc/82/55/81/567825581.db2.gz WYJUMADUJFZYPW-UHFFFAOYSA-N 0 0 295.791 3.732 50 0 CHAARN COc1ccc(C(=O)Nc2cccc(C)c2C)cc1 ZINC000000335657 567825722 /nfs/dbraw/zinc/82/57/22/567825722.db2.gz VNVMBZOIQOPPHC-UHFFFAOYSA-N 0 0 255.317 3.564 50 0 CHAARN O=C(Nc1ccncc1)C(c1ccccc1)c1ccccc1 ZINC000000346846 567825997 /nfs/dbraw/zinc/82/59/97/567825997.db2.gz XYBOUFNNHWXYDP-UHFFFAOYSA-N 0 0 288.350 3.852 50 0 CHAARN Cc1ccc(/C=C2\N=C(c3cc(C)cc(C)c3)OC2=O)cc1 ZINC000000354846 567826448 /nfs/dbraw/zinc/82/64/48/567826448.db2.gz SZGNBEIORZKEID-BOPFTXTBSA-N 0 0 291.350 3.956 50 0 CHAARN O=C(NCCC1=CCCCC1)c1ccccc1Cl ZINC000000362255 567826583 /nfs/dbraw/zinc/82/65/83/567826583.db2.gz BGHRGPVOJRIJOQ-UHFFFAOYSA-N 0 0 263.768 3.960 50 0 CHAARN COc1ccccc1NC(=O)c1ccc(C)c(C)c1 ZINC000000362069 567826650 /nfs/dbraw/zinc/82/66/50/567826650.db2.gz USTLEHBOUYUUGT-UHFFFAOYSA-N 0 0 255.317 3.564 50 0 CHAARN O=C(Nc1cccc2cccnc21)c1cccc(F)c1 ZINC000000362896 567827086 /nfs/dbraw/zinc/82/70/86/567827086.db2.gz PSGCTOZNNQZEOR-UHFFFAOYSA-N 0 0 266.275 3.626 50 0 CHAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000000364313 567827098 /nfs/dbraw/zinc/82/70/98/567827098.db2.gz VXJJTBITSFFNCU-NSHDSACASA-N 0 0 275.735 3.746 50 0 CHAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000000365270 567827254 /nfs/dbraw/zinc/82/72/54/567827254.db2.gz FFVGYFPSZHYJTQ-UHFFFAOYSA-N 0 0 289.400 3.785 50 0 CHAARN O=C(CCCc1ccccc1)Nc1cccnc1Cl ZINC000000365454 567827327 /nfs/dbraw/zinc/82/73/27/567827327.db2.gz ULGFXHXHEUNZHW-UHFFFAOYSA-N 0 0 274.751 3.696 50 0 CHAARN O=C(Oc1ccc2ccc(O)cc2c1)C1CCCC1 ZINC000000365159 567827460 /nfs/dbraw/zinc/82/74/60/567827460.db2.gz MANJVWYVGOJTSE-UHFFFAOYSA-N 0 0 256.301 3.641 50 0 CHAARN Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000000375618 567827528 /nfs/dbraw/zinc/82/75/28/567827528.db2.gz LZFAHOCLTRYAQQ-UHFFFAOYSA-N 0 0 253.660 3.633 50 0 CHAARN CCc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 ZINC000000370731 567827680 /nfs/dbraw/zinc/82/76/80/567827680.db2.gz CCRKZGDTUTWLSZ-AWEZNQCLSA-N 0 0 283.371 3.963 50 0 CHAARN CCOc1ccccc1NC(=O)c1ccccc1OCC ZINC000000383476 567827939 /nfs/dbraw/zinc/82/79/39/567827939.db2.gz HSESESHVXDNNKO-UHFFFAOYSA-N 0 0 285.343 3.736 50 0 CHAARN CCOc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000000383700 567828058 /nfs/dbraw/zinc/82/80/58/567828058.db2.gz UOCRWFHQRVSQAA-UHFFFAOYSA-N 0 0 275.735 3.991 50 0 CHAARN O=C(Nc1cccc2ccccc21)c1onc2c1CCCC2 ZINC000000385049 567828286 /nfs/dbraw/zinc/82/82/86/567828286.db2.gz HZTHLNSSPBRDRX-UHFFFAOYSA-N 0 0 292.338 3.959 50 0 CHAARN COc1cccc(NC(=O)O[C@@H]2CCCC[C@@H]2C)c1 ZINC000000395380 567828692 /nfs/dbraw/zinc/82/86/92/567828692.db2.gz KCRUFKGLTRNCCF-SMDDNHRTSA-N 0 0 263.337 3.822 50 0 CHAARN C[C@@H]1CCCN(C(=O)Nc2ccccc2Cl)C1 ZINC000000396498 567829100 /nfs/dbraw/zinc/82/91/00/567829100.db2.gz GXEGTVBNHGEXJP-SNVBAGLBSA-N 0 0 252.745 3.604 50 0 CHAARN Cc1ccc(NC(=O)N(C)Cc2ccco2)cc1C ZINC000000399205 567829182 /nfs/dbraw/zinc/82/91/82/567829182.db2.gz SRDAWEULVIMUHT-UHFFFAOYSA-N 0 0 258.321 3.560 50 0 CHAARN CSc1ccc(NC(=O)N2CCC(C)CC2)cc1 ZINC000000399708 567829269 /nfs/dbraw/zinc/82/92/69/567829269.db2.gz XBWLHLOPUIEXQS-UHFFFAOYSA-N 0 0 264.394 3.672 50 0 CHAARN CCOc1ccccc1NC(=O)Nc1cccc(F)c1 ZINC000000399826 567829403 /nfs/dbraw/zinc/82/94/03/567829403.db2.gz SKPMDIGUZVHOSD-UHFFFAOYSA-N 0 0 274.295 3.868 50 0 CHAARN CCOC(CSc1nc2cc(C)c(C)cc2[nH]1)OCC ZINC000000407665 567829582 /nfs/dbraw/zinc/82/95/82/567829582.db2.gz NRYTXOPQKDNHMS-UHFFFAOYSA-N 0 0 294.420 3.671 50 0 CHAARN Cc1ccc2c(c1)N1Cc3ccc(C)cc3N(C2)C1 ZINC000000406326 567829775 /nfs/dbraw/zinc/82/97/75/567829775.db2.gz PVJZORXHPPCOQH-UHFFFAOYSA-N 0 0 250.345 3.601 50 0 CHAARN Cc1cccc(COc2ccc3c(C)cc(=O)oc3c2)c1 ZINC000000435087 567829851 /nfs/dbraw/zinc/82/98/51/567829851.db2.gz CLOMICLSUPDORN-UHFFFAOYSA-N 0 0 280.323 3.989 50 0 biogenic CHAARN O=C(Nc1cccc(Br)c1)c1ccccc1F ZINC000000438822 567829862 /nfs/dbraw/zinc/82/98/62/567829862.db2.gz XHKIALCPRADHBL-UHFFFAOYSA-N 0 0 294.123 3.841 50 0 CHAARN COc1ccc(CC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000438257 567830092 /nfs/dbraw/zinc/83/00/92/567830092.db2.gz KEVFRICPKSWIBS-UHFFFAOYSA-N 0 0 293.725 3.669 50 0 CHAARN O=C(Nc1ccc(F)c(F)c1)[C@H]1C[C@@H]1c1ccccc1 ZINC000000441607 567830262 /nfs/dbraw/zinc/83/02/62/567830262.db2.gz ICQOAWOCSOHASF-OLZOCXBDSA-N 0 0 273.282 3.707 50 0 CHAARN CCOC(=O)c1c(N)scc1-c1cc(C)ccc1C ZINC000000442705 567830387 /nfs/dbraw/zinc/83/03/87/567830387.db2.gz ZPSZGZTWODVJET-UHFFFAOYSA-N 0 0 275.373 3.791 50 0 CHAARN Cc1cc(C)n(C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)n1 ZINC000000447674 567830559 /nfs/dbraw/zinc/83/05/59/567830559.db2.gz KJOAMUNSQHRQCE-GFCCVEGCSA-N 0 0 292.766 3.569 50 0 CHAARN CCc1cc2c(ncnc2Nc2ccccc2)s1 ZINC000000446530 567830633 /nfs/dbraw/zinc/83/06/33/567830633.db2.gz SHJBDNKGTVQUKL-UHFFFAOYSA-N 0 0 255.346 3.997 50 0 CHAARN CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccccc1 ZINC000000446967 567830662 /nfs/dbraw/zinc/83/06/62/567830662.db2.gz OOEUDRFGNWLCAF-RHSMWYFYSA-N 0 0 283.371 3.721 50 0 CHAARN COc1ccc(Cl)cc1C(=O)NC1CCCCCC1 ZINC000000450199 567830737 /nfs/dbraw/zinc/83/07/37/567830737.db2.gz AZKZTLXFZIYBAV-UHFFFAOYSA-N 0 0 281.783 3.801 50 0 CHAARN Cc1ccccc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000000454816 567830878 /nfs/dbraw/zinc/83/08/78/567830878.db2.gz AURDGUWNDPMPGR-UHFFFAOYSA-N 0 0 293.322 3.662 50 0 CHAARN Fc1ccccc1NC(=S)NCc1ccc(Cl)cc1 ZINC000000454895 567830995 /nfs/dbraw/zinc/83/09/95/567830995.db2.gz QWDSKAUNEGUKKN-UHFFFAOYSA-N 0 0 294.782 3.966 50 0 CHAARN COc1ccc(-c2noc(-c3ccccc3C)n2)cc1 ZINC000000455293 567831067 /nfs/dbraw/zinc/83/10/67/567831067.db2.gz PKRMXQXLZOSJMU-UHFFFAOYSA-N 0 0 266.300 3.721 50 0 CHAARN CCC[C@H](C)C(=O)Nc1ccccc1Br ZINC000000456359 567831367 /nfs/dbraw/zinc/83/13/67/567831367.db2.gz DSUGLEWBONMUDU-VIFPVBQESA-N 0 0 270.170 3.824 50 0 CHAARN CCC(=O)Nc1cccc(C(=O)c2ccc(C)c(C)c2)c1 ZINC000000462312 567831676 /nfs/dbraw/zinc/83/16/76/567831676.db2.gz ZCJXXJDCBAIUTD-UHFFFAOYSA-N 0 0 281.355 3.883 50 0 CHAARN CC[C@@H](C)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000000473456 567831902 /nfs/dbraw/zinc/83/19/02/567831902.db2.gz WMHSFCNWWYFBSS-VPIOIWJLSA-N 0 0 272.175 3.921 50 0 CHAARN Cc1ccc(NC(=O)C2CCCC2)c(Br)c1 ZINC000000473353 567831873 /nfs/dbraw/zinc/83/18/73/567831873.db2.gz QTXQWVFEPJWDSF-UHFFFAOYSA-N 0 0 282.181 3.886 50 0 CHAARN Cc1cc(C)nc(N(C#N)Cc2cccc3ccccc32)n1 ZINC000000470932 567831935 /nfs/dbraw/zinc/83/19/35/567831935.db2.gz MBBXVRCTQGCTLI-UHFFFAOYSA-N 0 0 288.354 3.734 50 0 CHAARN CCc1ccc(NC(=O)[C@@H](OC)c2ccccc2)cc1 ZINC000000472809 567831964 /nfs/dbraw/zinc/83/19/64/567831964.db2.gz VCSXWNGBEGECQP-INIZCTEOSA-N 0 0 269.344 3.575 50 0 CHAARN COc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000000475594 567832250 /nfs/dbraw/zinc/83/22/50/567832250.db2.gz QDILDHFIFKJDRQ-RUDMXATFSA-N 0 0 289.281 3.625 50 0 CHAARN Cc1cccc(C(=O)NCCc2cccc(Cl)c2)c1 ZINC000000476636 567832418 /nfs/dbraw/zinc/83/24/18/567832418.db2.gz ZDULXPPMCZZCQB-UHFFFAOYSA-N 0 0 273.763 3.621 50 0 CHAARN CC(=O)c1ccc(NC(=O)C=Cc2ccc(C)cc2)cc1 ZINC000000476702 567832435 /nfs/dbraw/zinc/83/24/35/567832435.db2.gz KWQFXKSLVUGPDJ-KPKJPENVSA-N 0 0 279.339 3.850 50 0 CHAARN CCOC(=O)c1ccc(-c2ccc(Cl)cc2)nc1C ZINC000000480004 567832525 /nfs/dbraw/zinc/83/25/25/567832525.db2.gz DLVNZWGMQHOLOW-UHFFFAOYSA-N 0 0 275.735 3.887 50 0 CHAARN Cc1cccc(C(=O)OCc2ccc(Cl)cc2)c1O ZINC000000482437 567832534 /nfs/dbraw/zinc/83/25/34/567832534.db2.gz JYQVGKWEALZZPT-UHFFFAOYSA-N 0 0 276.719 3.711 50 0 CHAARN Cc1cc(C)c2ccc(=O)n(Cc3cccc(Cl)c3)c2n1 ZINC000000480232 567832631 /nfs/dbraw/zinc/83/26/31/567832631.db2.gz OMCKJQRQJCHNRN-UHFFFAOYSA-N 0 0 298.773 3.715 50 0 CHAARN CC(C)COC(=O)c1cccc2c1-c1ccccc1C2=O ZINC000000481686 567832745 /nfs/dbraw/zinc/83/27/45/567832745.db2.gz SOXKCVNSQQWHKM-UHFFFAOYSA-N 0 0 280.323 3.711 50 0 CHAARN Cc1ccc(C(=O)N[C@H](C)c2ccccc2)c(C)c1 ZINC000000514669 567832896 /nfs/dbraw/zinc/83/28/96/567832896.db2.gz CQMNZWXSKPBDNU-CQSZACIVSA-N 0 0 253.345 3.794 50 0 CHAARN Cc1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000000486856 567832899 /nfs/dbraw/zinc/83/28/99/567832899.db2.gz XLUYLHANNYXMBA-UHFFFAOYSA-N 0 0 275.735 3.666 50 0 CHAARN O=C(Nc1ccc(F)cc1F)c1ccccc1Cl ZINC000000514143 567832963 /nfs/dbraw/zinc/83/29/63/567832963.db2.gz SABUQQWEQCUKKB-UHFFFAOYSA-N 0 0 267.662 3.871 50 0 CHAARN COc1ccc(C)cc1NC(=O)c1cc(C)cc(C)c1 ZINC000000496452 567833005 /nfs/dbraw/zinc/83/30/05/567833005.db2.gz CJJMMXUMDVZNQS-UHFFFAOYSA-N 0 0 269.344 3.873 50 0 CHAARN COc1ccc(Cc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000000516066 567833396 /nfs/dbraw/zinc/83/33/96/567833396.db2.gz UXKMFLMPBDFORV-UHFFFAOYSA-N 0 0 280.327 3.644 50 0 CHAARN O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(F)c1 ZINC000000570053 567833743 /nfs/dbraw/zinc/83/37/43/567833743.db2.gz DDAHKBSDPXTOGV-UHFFFAOYSA-N 0 0 284.334 3.678 50 0 aggregator CHAARN CC(C)(C)C(=O)Nc1nc2c(cccc2Cl)s1 ZINC000000558594 567833792 /nfs/dbraw/zinc/83/37/92/567833792.db2.gz RBBUVHXUVBDFNV-UHFFFAOYSA-N 0 0 268.769 3.934 50 0 CHAARN CSc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000000571883 567834064 /nfs/dbraw/zinc/83/40/64/567834064.db2.gz NUAABJUVHWNRLC-UHFFFAOYSA-N 0 0 293.413 3.518 50 0 CHAARN COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000000616849 567834508 /nfs/dbraw/zinc/83/45/08/567834508.db2.gz LXAKUKXOFYEORB-UHFFFAOYSA-N 0 0 295.260 3.966 50 0 CHAARN COc1ccc(NC(=O)c2ccoc2C)cc1Cl ZINC000000779103 567834665 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CCC(=O)NCc1ccccc1-c1ccc(OC)c(F)c1 ZINC000096162960 567909679 /nfs/dbraw/zinc/90/96/79/567909679.db2.gz LUPOZGQBUDTEJF-UHFFFAOYSA-N 0 0 287.334 3.528 50 0 CHAARN Fc1c(I)ccc2ccccc12 ZINC000096171924 567909810 /nfs/dbraw/zinc/90/98/10/567909810.db2.gz SWMWTRKWOARCIG-UHFFFAOYSA-N 0 0 272.060 3.584 50 0 CHAARN Cc1cccc(Nc2ccccc2C(=O)NC2CC2)c1C ZINC000011639854 567910466 /nfs/dbraw/zinc/91/04/66/567910466.db2.gz GAOUYNZTYAGAHD-UHFFFAOYSA-N 0 0 280.371 3.939 50 0 CHAARN CN(CCC1CCOCC1)Cc1c(F)cccc1Cl ZINC000097295275 567910480 /nfs/dbraw/zinc/91/04/80/567910480.db2.gz OVMNVDCSGZVANS-UHFFFAOYSA-N 0 0 285.790 3.728 50 0 CHAARN C[C@@H]1CCc2c(sc3nc(=S)sc(N)c23)C1 ZINC000100058137 567910581 /nfs/dbraw/zinc/91/05/81/567910581.db2.gz NBADOVNMOQHHMM-RXMQYKEDSA-N 0 0 268.432 3.625 50 0 CHAARN COC(=O)c1ccc(-c2ccccc2C(F)(F)F)cn1 ZINC000097757019 567910790 /nfs/dbraw/zinc/91/07/90/567910790.db2.gz CERRREKUUVNJQD-UHFFFAOYSA-N 0 0 281.233 3.554 50 0 CHAARN COC(=O)Cc1cccc(-c2cc(C)cc(C)c2)c1 ZINC000097757110 567911098 /nfs/dbraw/zinc/91/10/98/567911098.db2.gz NAUOXJOOAYJFKK-UHFFFAOYSA-N 0 0 254.329 3.686 50 0 CHAARN COC(=O)c1ccc(-c2cccc(OC)c2)cc1Cl ZINC000097757126 567911101 /nfs/dbraw/zinc/91/11/01/567911101.db2.gz LAKMISUMLAMNPX-UHFFFAOYSA-N 0 0 276.719 3.802 50 0 CHAARN c1cc(Cc2ccc(Cc3ccncc3)cc2)ccn1 ZINC000098073397 567911173 /nfs/dbraw/zinc/91/11/73/567911173.db2.gz FFHRKYGEMWVANQ-UHFFFAOYSA-N 0 0 260.340 3.658 50 0 CHAARN COC(=O)c1ccc(-c2ccc(F)cc2C)cc1F ZINC000097757323 567911199 /nfs/dbraw/zinc/91/11/99/567911199.db2.gz NWJWFJKBDMRJNB-UHFFFAOYSA-N 0 0 262.255 3.727 50 0 CHAARN CO[C@H](C)c1ccc(-c2cc(C3CC3)ncn2)cc1 ZINC000097766257 567911245 /nfs/dbraw/zinc/91/12/45/567911245.db2.gz PUDLSGQKBHZTAT-LLVKDONJSA-N 0 0 254.333 3.728 50 0 CHAARN C[C@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000100557901 567913520 /nfs/dbraw/zinc/91/35/20/567913520.db2.gz IKDCVTBVOYCVLT-MLGOLLRUSA-N 0 0 297.329 3.509 50 0 CHAARN FC(F)(F)[C@H]1C[C@H](c2ccccc2)Nc2ccnn21 ZINC000100774107 567913836 /nfs/dbraw/zinc/91/38/36/567913836.db2.gz RKHNOQLBCDXICF-GHMZBOCLSA-N 0 0 267.254 3.543 50 0 CHAARN CC[C@H](C)N(C(=O)c1ccc(Cl)cn1)[C@@H](C)CC ZINC000119563189 567914181 /nfs/dbraw/zinc/91/41/81/567914181.db2.gz OALWDINTPMWGQN-QWRGUYRKSA-N 0 0 268.788 3.774 50 0 CHAARN Cc1cccc2c1NC(=O)[C@@H]2Cc1ccccc1Cl ZINC000101016152 567914448 /nfs/dbraw/zinc/91/44/48/567914448.db2.gz PZEXXZMTKPVXQD-CYBMUJFWSA-N 0 0 271.747 3.927 50 0 CHAARN Cc1cccc2c1NC(=O)[C@H]2Cc1ccccc1C ZINC000101016583 567914464 /nfs/dbraw/zinc/91/44/64/567914464.db2.gz VPSPUQPELQNRIG-HNNXBMFYSA-N 0 0 251.329 3.582 50 0 CHAARN O=C1O[C@H](Nc2nc3ccccc3s2)c2ccccc21 ZINC000000100246 567915071 /nfs/dbraw/zinc/91/50/71/567915071.db2.gz ZQZXHLHDXZSDLU-ZDUSSCGKSA-N 0 0 282.324 3.577 50 0 CHAARN CC[C@H]1CC[C@H](C)N1C(=O)CSc1ccccc1 ZINC000095458850 567915213 /nfs/dbraw/zinc/91/52/13/567915213.db2.gz PAVMLDKTNJEGCU-STQMWFEESA-N 0 0 263.406 3.568 50 0 CHAARN COc1cc2cc(Cl)c(Cl)nc2cc1OC ZINC000096517658 567939929 /nfs/dbraw/zinc/93/99/29/567939929.db2.gz NFDKGNSOOWOWJV-UHFFFAOYSA-N 0 0 258.104 3.559 50 0 CHAARN O=C(Nc1ccccc1Cl)C1SCSCS1 ZINC000000114504 567923192 /nfs/dbraw/zinc/92/31/92/567923192.db2.gz NORJQTJRXVCPLL-UHFFFAOYSA-N 0 0 291.850 3.733 50 0 CHAARN CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1cccs1 ZINC000000111945 567923311 /nfs/dbraw/zinc/92/33/11/567923311.db2.gz IKCFXYAFHJDYLF-GFCCVEGCSA-N 0 0 292.400 3.892 50 0 CHAARN CCOc1ccc(Nc2ncnc3ccccc32)cc1 ZINC000000143904 567923854 /nfs/dbraw/zinc/92/38/54/567923854.db2.gz FMRSPMVZDZDMOJ-UHFFFAOYSA-N 0 0 265.316 3.772 50 0 CHAARN CCOc1ccc(-c2cn3ccc(C)cc3n2)cc1 ZINC000000151532 567923861 /nfs/dbraw/zinc/92/38/61/567923861.db2.gz MNRZINGKMJIFAW-UHFFFAOYSA-N 0 0 252.317 3.708 50 0 CHAARN Cc1ccc(CNC(=O)c2sc3ccccc3c2C)n1C ZINC000023575919 567924082 /nfs/dbraw/zinc/92/40/82/567924082.db2.gz RJCQDWUJSOTXJW-UHFFFAOYSA-N 0 0 298.411 3.787 50 0 CHAARN Cc1cccnc1Nc1nc(-c2ccc(O)cc2O)cs1 ZINC000000202312 567924929 /nfs/dbraw/zinc/92/49/29/567924929.db2.gz OTICCPPCQRVHEG-UHFFFAOYSA-N 0 0 299.355 3.668 50 0 CHAARN O=C1CSC2(CCCCC2)N1c1ccc(F)cc1 ZINC000000205348 567925074 /nfs/dbraw/zinc/92/50/74/567925074.db2.gz WSYMBNIKQGLCSP-UHFFFAOYSA-N 0 0 265.353 3.566 50 0 CHAARN Fc1ccc(CNc2nc3ccccc3o2)c(F)c1 ZINC000050197777 567925452 /nfs/dbraw/zinc/92/54/52/567925452.db2.gz YUDLWUHNHWUZMA-UHFFFAOYSA-N 0 0 260.243 3.718 50 0 CHAARN COc1ccc(-c2csc3[nH]c(C4CC4)nc(=O)c23)cc1 ZINC000050186613 567925471 /nfs/dbraw/zinc/92/54/71/567925471.db2.gz MXKWMVRJFXMHPP-UHFFFAOYSA-N 0 0 298.367 3.538 50 0 CHAARN Fc1ccc(CNc2ncnc3ccccc32)c(F)c1 ZINC000050197773 567925509 /nfs/dbraw/zinc/92/55/09/567925509.db2.gz TULWNYALNROCGB-UHFFFAOYSA-N 0 0 271.270 3.520 50 0 CHAARN CC(C)(C)n1cnc2cc(NCc3ccccn3)ccc21 ZINC000000249588 567925818 /nfs/dbraw/zinc/92/58/18/567925818.db2.gz JLHBFYPZVQCAQG-UHFFFAOYSA-N 0 0 280.375 3.798 50 0 CHAARN Cc1ccc(C)c(N2C(C)=CC(C)(C)NC2=S)c1 ZINC000000260009 567925867 /nfs/dbraw/zinc/92/58/67/567925867.db2.gz YDMPXLQKMMWVHY-UHFFFAOYSA-N 0 0 260.406 3.680 50 0 CHAARN CSc1nc2ccccc2c(NCc2ccccc2)n1 ZINC000000274070 567926131 /nfs/dbraw/zinc/92/61/31/567926131.db2.gz LDAGQNZHCDBVNA-UHFFFAOYSA-N 0 0 281.384 3.964 50 0 CHAARN Cc1ccc(Nc2nc([C@]3(C)CCC(=O)O3)cs2)cc1 ZINC000000289430 567926179 /nfs/dbraw/zinc/92/61/79/567926179.db2.gz OYGUJBFUZZGDPN-HNNXBMFYSA-N 0 0 288.372 3.747 50 0 CHAARN O=C(Cc1cccs1)Nc1ccccc1Cl ZINC000000272357 567926185 /nfs/dbraw/zinc/92/61/85/567926185.db2.gz FOCJNEWTQHQHSB-UHFFFAOYSA-N 0 0 251.738 3.583 50 0 CHAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC(C)(C)C ZINC000000281538 567926210 /nfs/dbraw/zinc/92/62/10/567926210.db2.gz LMNXFXBYXBVQAH-SECBINFHSA-N 0 0 271.813 3.735 50 0 CHAARN Cc1ccc([C@H](C)NC(=S)NC2CCCCC2)cc1 ZINC000000300982 567926386 /nfs/dbraw/zinc/92/63/86/567926386.db2.gz XALVVZOGYWTEDZ-ZDUSSCGKSA-N 0 0 276.449 3.853 50 0 CHAARN COC(=O)c1c(C)oc2ccc(OCC=C(C)C)cc21 ZINC000000307881 567926403 /nfs/dbraw/zinc/92/64/03/567926403.db2.gz RXARWFPBOSBXMO-UHFFFAOYSA-N 0 0 274.316 3.873 50 0 biogenic CHAARN COc1ccc([C@H](NCc2nc(C)oc2C)C(C)C)cc1 ZINC000408522957 567927529 /nfs/dbraw/zinc/92/75/29/567927529.db2.gz FLCMTGXKAGXYQD-QGZVFWFLSA-N 0 0 288.391 3.787 50 0 CHAARN CC(C)c1ccc(CN(C(=O)[C@@H]2C[C@H]2C)C2CC2)cc1 ZINC000061224133 567927853 /nfs/dbraw/zinc/92/78/53/567927853.db2.gz WUPIRIUYUUQDCQ-CXAGYDPISA-N 0 0 271.404 3.957 50 0 CHAARN OC(Cc1cccnc1)(c1ccccc1)c1ccccc1 ZINC000000075721 567928161 /nfs/dbraw/zinc/92/81/61/567928161.db2.gz ISHRKNDRIGDTBK-UHFFFAOYSA-N 0 0 275.351 3.560 50 0 in-vitro CHAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]1C ZINC000248083317 567928657 /nfs/dbraw/zinc/92/86/57/567928657.db2.gz JOPOUHVEBRESOI-IGCXYCKISA-N 0 0 271.404 3.730 50 0 CHAARN CCN(CC)c1ccc(Nc2cc(C)nc(C)n2)cc1 ZINC000011907840 567928708 /nfs/dbraw/zinc/92/87/08/567928708.db2.gz WQKVPRJDMKOUFC-UHFFFAOYSA-N 0 0 270.380 3.683 50 0 CHAARN Cc1ccc(N[C@H]2CCCN(C(=O)C3CCC3)C2)cc1C ZINC000011938279 567928759 /nfs/dbraw/zinc/92/87/59/567928759.db2.gz TVWJTAQQHRBMAZ-KRWDZBQOSA-N 0 0 286.419 3.506 50 0 CHAARN O=C1Nc2ccccc2[C@H]1Cc1ccc2ncccc2c1 ZINC000100793547 567928832 /nfs/dbraw/zinc/92/88/32/567928832.db2.gz FPEZBRSBCHWZEF-OAHLLOKOSA-N 0 0 274.323 3.513 50 0 biogenic CHAARN O=C(Nc1ccccc1F)c1cc(-c2ccccc2)on1 ZINC000011916727 567928943 /nfs/dbraw/zinc/92/89/43/567928943.db2.gz ZSYSHMYXTFOQJS-UHFFFAOYSA-N 0 0 282.274 3.733 50 0 CHAARN Cc1n[nH]c(C)c1-c1ccc2oc(C3CC3)nc2c1 ZINC000426490341 567929018 /nfs/dbraw/zinc/92/90/18/567929018.db2.gz RZXMKWRYUZSOSJ-UHFFFAOYSA-N 0 0 253.305 3.712 50 0 CHAARN CCc1ccc2oc(-c3ccc(OC)cc3)c(O)c(=O)c2c1 ZINC000012016249 567929137 /nfs/dbraw/zinc/92/91/37/567929137.db2.gz DTIVNRZFKLZIKS-UHFFFAOYSA-N 0 0 296.322 3.737 50 0 CHAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1Cl ZINC000250072660 567929775 /nfs/dbraw/zinc/92/97/75/567929775.db2.gz ANIHBXNOLWEZJC-DFBGVHRSSA-N 0 0 293.794 3.558 50 0 CHAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(Cl)cc1 ZINC000250236739 567929801 /nfs/dbraw/zinc/92/98/01/567929801.db2.gz DYJFROHVVAUQDU-YUELXQCFSA-N 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O=C(Nc1ccccc1F)[C@@H]1[C@H]2C=CCCCC[C@H]21 ZINC000004664171 567932886 /nfs/dbraw/zinc/93/28/86/567932886.db2.gz MGKXQVFXEHPFOD-YWPYICTPSA-N 0 0 259.324 3.757 50 0 CHAARN C[C@H]1CCc2nc(NC(=O)/C=C\c3ccccc3)sc2C1 ZINC000017246233 567935087 /nfs/dbraw/zinc/93/50/87/567935087.db2.gz LBUOYAMAGMTBHB-CUZBXDDWSA-N 0 0 298.411 3.920 50 0 CHAARN CC(C)n1cnc2cc(NCc3ccccn3)ccc21 ZINC000017440273 567935132 /nfs/dbraw/zinc/93/51/32/567935132.db2.gz YMVHZSKEDGSNRM-UHFFFAOYSA-N 0 0 266.348 3.624 50 0 CHAARN O=C(Nc1nc2c(s1)CCCC2)Oc1ccccc1 ZINC000000151159 567935300 /nfs/dbraw/zinc/93/53/00/567935300.db2.gz MMBDCOQGOCIYOU-UHFFFAOYSA-N 0 0 274.345 3.633 50 0 aggregator CHAARN FC(F)(F)c1cc2[nH]c(=S)[nH]c2cc1Cl ZINC000000130833 567935323 /nfs/dbraw/zinc/93/53/23/567935323.db2.gz LSFYTNIKUUQWGI-UHFFFAOYSA-N 0 0 252.648 3.898 50 0 CHAARN CC(=O)c1csc(Nc2ccccc2Cl)n1 ZINC000000122641 567935383 /nfs/dbraw/zinc/93/53/83/567935383.db2.gz CKTQMHYEPIBWOE-UHFFFAOYSA-N 0 0 252.726 3.743 50 0 CHAARN O=C(Nc1ccncc1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000017583581 567935441 /nfs/dbraw/zinc/93/54/41/567935441.db2.gz BEKSITRTRFMFKR-UHFFFAOYSA-N 0 0 291.354 3.694 50 0 CHAARN CC(C)(C)c1ccccc1OCC(=O)NC1CCCCC1 ZINC000000133572 567935460 /nfs/dbraw/zinc/93/54/60/567935460.db2.gz LWPUHIMNVOXBAL-UHFFFAOYSA-N 0 0 289.419 3.812 50 0 CHAARN O=C(c1cccs1)N(Cc1ccccc1)c1ccccn1 ZINC000000029371 567935646 /nfs/dbraw/zinc/93/56/46/567935646.db2.gz AVNHLGOIGSJODA-UHFFFAOYSA-N 0 0 294.379 3.990 50 0 CHAARN CC[C@H](C(=O)Nc1cccc(O)c1)c1ccccc1 ZINC000000363536 567935882 /nfs/dbraw/zinc/93/58/82/567935882.db2.gz WVNXUROEIZBVCN-HNNXBMFYSA-N 0 0 255.317 3.525 50 0 CHAARN CC(=O)Nc1ccc(CNc2ccc3c(c2)CCC3)cc1 ZINC000000279919 567935943 /nfs/dbraw/zinc/93/59/43/567935943.db2.gz WMHWOUBRCWHJRF-UHFFFAOYSA-N 0 0 280.371 3.746 50 0 CHAARN CCC(CC)C(=O)Nc1ccc(Br)cc1F ZINC000000372008 567935977 /nfs/dbraw/zinc/93/59/77/567935977.db2.gz MKGSUOCYRHJMDI-UHFFFAOYSA-N 0 0 288.160 3.963 50 0 CHAARN Cc1cc2c3c([nH]c2c(Br)c1)C(=O)CCC3 ZINC000000448065 567936158 /nfs/dbraw/zinc/93/61/58/567936158.db2.gz RSSWDLORGLOJNQ-UHFFFAOYSA-N 0 0 278.149 3.758 50 0 CHAARN COc1ccccc1O[C@H](C)C(=O)c1ccc(C)cc1 ZINC000000476405 567936441 /nfs/dbraw/zinc/93/64/41/567936441.db2.gz QZHLRQRQVQEYGS-CYBMUJFWSA-N 0 0 270.328 3.654 50 0 CHAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCCC1 ZINC000000460780 567936472 /nfs/dbraw/zinc/93/64/72/567936472.db2.gz QUHIDZAOLFTSDY-UHFFFAOYSA-N 0 0 281.783 3.556 50 0 CHAARN CC(=O)c1cccc(NC(=O)NCCC2=CCCCC2)c1 ZINC000000612190 567936734 /nfs/dbraw/zinc/93/67/34/567936734.db2.gz FUZJRNWDHIXOFW-UHFFFAOYSA-N 0 0 286.375 3.901 50 0 CHAARN CCCCCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000001597743 567937316 /nfs/dbraw/zinc/93/73/16/567937316.db2.gz CSROGYZTXCVMDO-UHFFFAOYSA-N 0 0 260.164 3.913 50 0 CHAARN CCCOc1ccc(-c2cn3ccccc3n2)cc1 ZINC000001812720 567937642 /nfs/dbraw/zinc/93/76/42/567937642.db2.gz IKXXSRXDFHGKST-UHFFFAOYSA-N 0 0 252.317 3.790 50 0 CHAARN O[C@H](c1ccc(Br)cc1Cl)C(F)(F)F ZINC000161060397 567937680 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295.382 3.526 50 0 CHAARN O=C(Cc1c[nH]c2ccccc12)Nc1nc(C2CC2)cs1 ZINC000025560120 570230921 /nfs/dbraw/zinc/23/09/21/570230921.db2.gz NYHMUXMUVDKSOI-UHFFFAOYSA-N 0 0 297.383 3.683 50 0 CHAARN Cc1ccc(NC(=O)c2cc3ccccn3n2)c(Cl)c1 ZINC000032951598 570232418 /nfs/dbraw/zinc/23/24/18/570232418.db2.gz ALEYTIYILFGYJZ-UHFFFAOYSA-N 0 0 285.734 3.548 50 0 CHAARN Cc1ccc(C(=O)c2cc(Cl)ccc2Cl)cn1 ZINC000045029099 570236073 /nfs/dbraw/zinc/23/60/73/570236073.db2.gz LZQVELSFGRIXBM-UHFFFAOYSA-N 0 0 266.127 3.928 50 0 CHAARN O=C([C@H]1C[C@H]1c1ccco1)N1CCC(c2ccccc2)CC1 ZINC000071835059 570236762 /nfs/dbraw/zinc/23/67/62/570236762.db2.gz WTKJTMTWCBYQCL-SJORKVTESA-N 0 0 295.382 3.789 50 0 CHAARN Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(C)cc2)on1 ZINC000047323781 570237361 /nfs/dbraw/zinc/23/73/61/570237361.db2.gz KQQIYSMHTKUVRA-CQSZACIVSA-N 0 0 285.347 3.660 50 0 CHAARN CC(C)Oc1cccc(CNC(=O)Nc2ccccc2)c1 ZINC000047320994 570237372 /nfs/dbraw/zinc/23/73/72/570237372.db2.gz DTRBAZJRDRQFFU-UHFFFAOYSA-N 0 0 284.359 3.796 50 0 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C[C@H](O)c1nc2cc(-c3cccc4cccnc43)ccc2[nH]1 ZINC000067435061 570246184 /nfs/dbraw/zinc/24/61/84/570246184.db2.gz AWSHEGAPPCRVOM-NSHDSACASA-N 0 0 289.338 3.831 50 0 CHAARN Cc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000004661633 570247344 /nfs/dbraw/zinc/24/73/44/570247344.db2.gz KMVPDCJPUSFZNS-JTQLQIEISA-N 0 0 286.400 3.829 50 0 CHAARN CCCNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000004685181 570249337 /nfs/dbraw/zinc/24/93/37/570249337.db2.gz HTWDSXYMZTZVOI-UHFFFAOYSA-N 0 0 263.193 3.690 50 0 CHAARN Clc1ccc(-c2ncc(/C=C/c3ccncn3)cn2)cc1 ZINC000157260003 570252749 /nfs/dbraw/zinc/25/27/49/570252749.db2.gz BRILXMPHZRSNOP-LZCJLJQNSA-N 0 0 294.745 3.757 50 0 CHAARN CC[C@H](NC(=O)c1cc2ccccc2n1C)c1nccs1 ZINC000131088276 570269884 /nfs/dbraw/zinc/26/98/84/570269884.db2.gz XKLWFGKGCXVVLY-LBPRGKRZSA-N 0 0 299.399 3.516 50 0 CHAARN COc1ccc(N2Cc3ccccc3C2=O)cc1Cl ZINC000252497486 570270281 /nfs/dbraw/zinc/27/02/81/570270281.db2.gz QJDXYMUZKSXUKY-UHFFFAOYSA-N 0 0 273.719 3.509 50 0 CHAARN CC(C)C[C@H]1CCCCCN1C(=O)c1cc(C2CC2)no1 ZINC000252485379 570270585 /nfs/dbraw/zinc/27/05/85/570270585.db2.gz GSTWGJJPKCPLJT-CQSZACIVSA-N 0 0 290.407 3.983 50 0 CHAARN Cc1cccnc1[C@H](NC(=O)c1cccs1)C(C)C ZINC000079358052 570272919 /nfs/dbraw/zinc/27/29/19/570272919.db2.gz GLJBEDMYZXYWKB-CYBMUJFWSA-N 0 0 274.389 3.579 50 0 CHAARN C[C@@H](c1ncc(C(C)(C)C)o1)n1ccc(C(F)(F)F)n1 ZINC000089126375 570274054 /nfs/dbraw/zinc/27/40/54/570274054.db2.gz LSTOAAPODWYRNE-QMMMGPOBSA-N 0 0 287.285 3.797 50 0 CHAARN Cc1nc(SCc2ccccc2)nc2c1CCC2 ZINC000000582895 570289409 /nfs/dbraw/zinc/28/94/09/570289409.db2.gz CJHXONWKMUNSNA-UHFFFAOYSA-N 0 0 256.374 3.566 50 0 CHAARN Oc1ccc(-c2n[nH]cc2-c2ccc(Cl)cc2)c(O)c1 ZINC000018067320 570282648 /nfs/dbraw/zinc/28/26/48/570282648.db2.gz XWIOVBFOMIECGL-UHFFFAOYSA-N 0 0 286.718 3.808 50 0 CHAARN CC[C@@H](C)[C@H](N)c1nnc(SCc2cccc(F)c2)o1 ZINC000000533572 570286869 /nfs/dbraw/zinc/28/68/69/570286869.db2.gz GALYNSRAFSHBLM-SKDRFNHKSA-N 0 0 295.383 3.547 50 0 CHAARN Cc1cc([C@H]2CCCN2Cc2cc(-c3ccco3)on2)on1 ZINC000044975721 570294635 /nfs/dbraw/zinc/29/46/35/570294635.db2.gz HBIKAODQPPAHIB-CYBMUJFWSA-N 0 0 299.330 3.568 50 0 CHAARN c1nnc(-c2cccc(Oc3nc4ccccc4o3)c2)o1 ZINC000048262127 570296506 /nfs/dbraw/zinc/29/65/06/570296506.db2.gz MHRSUKOXZNEMHF-UHFFFAOYSA-N 0 0 279.255 3.670 50 0 CHAARN O=c1[nH]c(-c2ccccn2)nc2c(Cl)cc(Cl)cc12 ZINC000048606540 570298971 /nfs/dbraw/zinc/29/89/71/570298971.db2.gz FDTTVGGKORJILN-UHFFFAOYSA-N 0 0 292.125 3.704 50 0 CHAARN Cc1cc(NC(=O)CS[C@@H](C)c2ccccc2F)no1 ZINC000048681410 570299007 /nfs/dbraw/zinc/29/90/07/570299007.db2.gz OCAPVGJGJASCHP-JTQLQIEISA-N 0 0 294.351 3.555 50 0 CHAARN Cc1ccccc1C(=O)NCc1cccc(COC(C)C)c1 ZINC000049151180 570299864 /nfs/dbraw/zinc/29/98/64/570299864.db2.gz MDRHQFLGUXLJCP-UHFFFAOYSA-N 0 0 297.398 3.850 50 0 CHAARN O=C(Oc1cccc(O)c1)c1cccc2ccccc21 ZINC000000363568 570300646 /nfs/dbraw/zinc/30/06/46/570300646.db2.gz SQSPRLVJPRPYCM-UHFFFAOYSA-N 0 0 264.280 3.765 50 0 CHAARN Cc1cc2nc(COCc3ccccc3)[nH]c2cc1C ZINC000055133539 570301337 /nfs/dbraw/zinc/30/13/37/570301337.db2.gz POQGGXKPYVWDFL-UHFFFAOYSA-N 0 0 266.344 3.897 50 0 CHAARN Cc1occc1C(=O)N1CCCC[C@@H]1CCc1ccccn1 ZINC000220435210 570310606 /nfs/dbraw/zinc/31/06/06/570310606.db2.gz KKPPDWFKGGPXAH-MRXNPFEDSA-N 0 0 298.386 3.611 50 0 CHAARN O=C1C[C@@H](c2cc(F)cc(F)c2)c2sccc2N1 ZINC000012360690 570310956 /nfs/dbraw/zinc/31/09/56/570310956.db2.gz OPYWVUYXTSHEIX-JTQLQIEISA-N 0 0 265.284 3.500 50 0 CHAARN CC(=O)c1cccc(NC(=O)[C@H]2[C@@H]3CCCCC=C[C@H]32)c1 ZINC000230153934 570316926 /nfs/dbraw/zinc/31/69/26/570316926.db2.gz JGHLKYZOSXUQGC-BRWVUGGUSA-N 0 0 283.371 3.820 50 0 CHAARN c1cn(C2CCCC2)nc1COc1nncc2ccccc21 ZINC000685944374 570318729 /nfs/dbraw/zinc/31/87/29/570318729.db2.gz YJOQEZKVSLMTFQ-UHFFFAOYSA-N 0 0 294.358 3.520 50 0 CHAARN O=C([O-])CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000097674396 570318739 /nfs/dbraw/zinc/31/87/39/570318739.db2.gz AHNIFXRMGXOCPQ-NSHDSACASA-N 0 0 299.773 3.556 50 0 CHAARN CC1=C[C@H](C)[C@H]2CO[C@H](c3ccccc3O)[C@@H]1[C@H]2C ZINC000001017744 570323573 /nfs/dbraw/zinc/32/35/73/570323573.db2.gz YHPKSMCKTAILCI-AHQUFDAQSA-N 0 0 258.361 3.928 50 0 biogenic CHAARN C[C@]12CC[C@@H]3c4ccc(CO)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000005881471 570325891 /nfs/dbraw/zinc/32/58/91/570325891.db2.gz CUWQAYNNRUMVQO-DFEOGRTESA-N 0 0 284.399 3.604 50 0 CHAARN Cc1cc2c(s1)CC[C@@H]1SC(Cl)C=C1C2=O ZINC000005926953 570325957 /nfs/dbraw/zinc/32/59/57/570325957.db2.gz FCXWGMSAKHCPHC-WPRPVWTQSA-N 0 0 270.806 3.997 50 0 CHAARN CCCCCC[C@]1(C)NC(=S)N(c2ccc(C)cc2)N1 ZINC000003668066 570328498 /nfs/dbraw/zinc/32/84/98/570328498.db2.gz AOVSBDMUJYLOMN-MRXNPFEDSA-N 0 0 291.464 3.881 50 0 CHAARN COc1ccc2cc(C(=O)N3CCC[C@H](C)C3)ccc2c1 ZINC000019170018 570331012 /nfs/dbraw/zinc/33/10/12/570331012.db2.gz CGGHLXFMSJBBGD-ZDUSSCGKSA-N 0 0 283.371 3.721 50 0 CHAARN Cc1cc(C)n2nc(-c3sccc3-n3cccc3)cc2n1 ZINC000001383650 570332630 /nfs/dbraw/zinc/33/26/30/570332630.db2.gz FLNVTPWQXXHJIQ-UHFFFAOYSA-N 0 0 294.383 3.865 50 0 CHAARN Cc1ccc(C(=O)Oc2cc(-c3ccccc3)no2)cc1 ZINC000001386451 570333039 /nfs/dbraw/zinc/33/30/39/570333039.db2.gz CRYZHTHRFBWCQC-UHFFFAOYSA-N 0 0 279.295 3.869 50 0 CHAARN O=C(NC1CC1)c1cc2cc(Br)ccc2s1 ZINC000001386262 570333050 /nfs/dbraw/zinc/33/30/50/570333050.db2.gz WDBFZOXGWOPOMS-UHFFFAOYSA-N 0 0 296.189 3.556 50 0 CHAARN Cc1cccc(CSc2nnc(-c3ccco3)o2)c1 ZINC000001387094 570333277 /nfs/dbraw/zinc/33/32/77/570333277.db2.gz TZKSESZBBYDRFY-UHFFFAOYSA-N 0 0 272.329 3.930 50 0 CHAARN O=C(Nc1cccc(Cl)c1Cl)c1ccccn1 ZINC000012753268 570336752 /nfs/dbraw/zinc/33/67/52/570336752.db2.gz DNNXJLXHQXCBDC-UHFFFAOYSA-N 0 0 267.115 3.641 50 0 CHAARN C[C@@H](Cc1ccoc1)NC(=O)c1ccc2ccccc2c1 ZINC000084835135 570337276 /nfs/dbraw/zinc/33/72/76/570337276.db2.gz MTBYBQSXCUSYAP-ZDUSSCGKSA-N 0 0 279.339 3.794 50 0 CHAARN CC(=O)c1ccc(OC(=O)N(C)c2ccccc2)cc1 ZINC000004294180 570337973 /nfs/dbraw/zinc/33/79/73/570337973.db2.gz IKJBTSOZFZEFFG-UHFFFAOYSA-N 0 0 269.300 3.524 50 0 CHAARN CC(C)c1cccc(OC/C=C/Cn2ccnc2)c1 ZINC000012383079 570338924 /nfs/dbraw/zinc/33/89/24/570338924.db2.gz NBZRPCQQEZXOIP-ONEGZZNKSA-N 0 0 256.349 3.642 50 0 CHAARN COc1ccc(OC)c(NC(=O)c2cc(C)c(C)s2)c1 ZINC000012850309 570340945 /nfs/dbraw/zinc/34/09/45/570340945.db2.gz SDPGNWOKXJWSJR-UHFFFAOYSA-N 0 0 291.372 3.634 50 0 CHAARN Cc1c(Cl)cccc1NC(=O)NC(=O)c1ccccc1 ZINC000000394886 570341868 /nfs/dbraw/zinc/34/18/68/570341868.db2.gz WJRKJNHASLLFIE-UHFFFAOYSA-N 0 0 288.734 3.610 50 0 CHAARN COc1ccccc1NC(=O)Nc1ccccc1C ZINC000000185330 570341917 /nfs/dbraw/zinc/34/19/17/570341917.db2.gz CCSJUIOPAMLLTN-UHFFFAOYSA-N 0 0 256.305 3.648 50 0 CHAARN Cc1cccc(N2N[C@]3(C[C@@H](C)CC(C)(C)C3)NC2=O)c1 ZINC000015867879 570345519 /nfs/dbraw/zinc/34/55/19/570345519.db2.gz PKLNXHPADQTPDT-GUYCJALGSA-N 0 0 287.407 3.572 50 0 CHAARN Fc1ccc(COCC(F)(F)F)c(Br)c1 ZINC000049600892 570346124 /nfs/dbraw/zinc/34/61/24/570346124.db2.gz JVXJPKSXYIPTLD-UHFFFAOYSA-N 0 0 287.050 3.667 50 0 CHAARN CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccccc1 ZINC000012891308 570346542 /nfs/dbraw/zinc/34/65/42/570346542.db2.gz GUYPNRCDFXGNQQ-UHFFFAOYSA-N 0 0 288.778 3.682 50 0 CHAARN O=C(Nc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000012980352 570353487 /nfs/dbraw/zinc/35/34/87/570353487.db2.gz NRGVNBPBWPYTDL-UHFFFAOYSA-N 0 0 273.719 3.527 50 0 CHAARN Cc1ccc2nc(NC(=O)C[C@@H]3C=CCC3)sc2c1 ZINC000013005783 570354319 /nfs/dbraw/zinc/35/43/19/570354319.db2.gz KTQQAYZROCNIBC-LLVKDONJSA-N 0 0 272.373 3.900 50 0 CHAARN Cc1ccc2c(CN3CCc4ccccc43)cc(=O)oc2c1 ZINC000016480075 570354997 /nfs/dbraw/zinc/35/49/97/570354997.db2.gz XSNKXWAXFKNFTI-UHFFFAOYSA-N 0 0 291.350 3.664 50 0 CHAARN Cc1coc2c1cc1c3c(c(=O)oc1c2C)CCC3 ZINC000000095224 570357287 /nfs/dbraw/zinc/35/72/87/570357287.db2.gz JPZQMSPKAGQYPC-UHFFFAOYSA-N 0 0 254.285 3.645 50 0 biogenic CHAARN Cc1cc(-c2ccccc2)nc(N=NC(C)c2ccco2)n1 ZINC000252635911 570357496 /nfs/dbraw/zinc/35/74/96/570357496.db2.gz XBMYNVZJGFJCAE-UHFFFAOYSA-N 0 0 292.342 3.881 50 0 CHAARN CN(N=Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000252628514 570357803 /nfs/dbraw/zinc/35/78/03/570357803.db2.gz SRWXBELZTQCTQH-UHFFFAOYSA-N 0 0 260.724 3.516 50 0 CHAARN Cc1oc(C2CCC2)nc1C(=O)NCc1cc(C)ccc1C ZINC000065293580 570361861 /nfs/dbraw/zinc/36/18/61/570361861.db2.gz AVNWODWTOOMCDU-UHFFFAOYSA-N 0 0 298.386 3.797 50 0 CHAARN CCOc1ccc(NC(=O)c2nc(C(C)C)oc2C)cc1 ZINC000065293433 570361880 /nfs/dbraw/zinc/36/18/80/570361880.db2.gz DSSJQJUZRCUNKG-UHFFFAOYSA-N 0 0 288.347 3.757 50 0 CHAARN CCN(CC)c1cccc(OC(=O)/C=C/c2ccco2)c1 ZINC000003195451 570362639 /nfs/dbraw/zinc/36/26/39/570362639.db2.gz GBFNYGOPPQPYCE-ZHACJKMWSA-N 0 0 285.343 3.745 50 0 CHAARN Cc1ncccc1CNc1ccc2c(c1)nc(C1CC1)n2C ZINC000089806622 570368846 /nfs/dbraw/zinc/36/88/46/570368846.db2.gz KKANSPFHAGIZOW-UHFFFAOYSA-N 0 0 292.386 3.766 50 0 CHAARN Cc1cc(O)ccc1NC(=O)C(C)(C)c1ccccc1F ZINC000095431730 570371711 /nfs/dbraw/zinc/37/17/11/570371711.db2.gz GCGCZVXFJVOMFL-UHFFFAOYSA-N 0 0 287.334 3.756 50 0 CHAARN Cc1cc(C(=O)N2CC=C(c3cnccc3C)CC2)c(C)o1 ZINC000095464863 570371914 /nfs/dbraw/zinc/37/19/14/570371914.db2.gz YHNCEFUQDCZXDF-UHFFFAOYSA-N 0 0 296.370 3.529 50 0 CHAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(Cl)c1 ZINC000227222226 570372349 /nfs/dbraw/zinc/37/23/49/570372349.db2.gz JSTMSRZLHGFHHD-QEJZJMRPSA-N 0 0 293.794 3.558 50 0 CHAARN CCN(C(=O)c1cscn1)c1ccc(Cl)cc1F ZINC000225657106 570375004 /nfs/dbraw/zinc/37/50/04/570375004.db2.gz DIJVKVWCNUBWBF-UHFFFAOYSA-N 0 0 284.743 3.602 50 0 CHAARN CO[C@H](CNC(=O)[C@H]1CC=CCC1)c1ccc(Cl)s1 ZINC000225703777 570375050 /nfs/dbraw/zinc/37/50/50/570375050.db2.gz LDSHXPSYFIGDML-WDEREUQCSA-N 0 0 299.823 3.562 50 0 CHAARN Cc1nnc(N2CCC[C@@H]2c2ccc(C)c(C)c2)s1 ZINC000170652374 570375729 /nfs/dbraw/zinc/37/57/29/570375729.db2.gz WFUQAELIGWQMAN-CQSZACIVSA-N 0 0 273.405 3.805 50 0 CHAARN Cc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000003554463 570378984 /nfs/dbraw/zinc/37/89/84/570378984.db2.gz TTYKCPLJYNINDX-DHZHZOJOSA-N 0 0 285.774 3.978 50 0 CHAARN c1ccc(-c2nnc(N3CCCC3)c3ccccc32)cc1 ZINC000000087222 570382253 /nfs/dbraw/zinc/38/22/53/570382253.db2.gz CZQGMCJAIHSYEW-UHFFFAOYSA-N 0 0 275.355 3.897 50 0 CHAARN C[N@H+](Cc1c[nH]c2ccccc12)Cc1ccccc1 ZINC000000205714 570382380 /nfs/dbraw/zinc/38/23/80/570382380.db2.gz HDZOBZVWWSWEGP-UHFFFAOYSA-N 0 0 250.345 3.800 50 0 CHAARN CS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccccc2F)C1 ZINC000098019219 570383259 /nfs/dbraw/zinc/38/32/59/570383259.db2.gz ARKFUXISIAKFLU-MNOVXSKESA-N 0 0 282.384 3.574 50 0 CHAARN C[C@@H]1CCN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)C1 ZINC000098018466 570383270 /nfs/dbraw/zinc/38/32/70/570383270.db2.gz YBPIJJVEHUEBRJ-LLVKDONJSA-N 0 0 292.354 3.631 50 0 CHAARN Cc1csc(-c2noc(Cc3c[nH]c4ccccc34)n2)n1 ZINC000253417589 570385346 /nfs/dbraw/zinc/38/53/46/570385346.db2.gz DWVLBSFGLUGPSP-UHFFFAOYSA-N 0 0 296.355 3.574 50 0 CHAARN COc1ccccc1-c1noc([C@@H](C)N[C@@H]2C=CCCC2)n1 ZINC000253431101 570385788 /nfs/dbraw/zinc/38/57/88/570385788.db2.gz TZYTXXYUILMGCZ-CHWSQXEVSA-N 0 0 299.374 3.505 50 0 CHAARN C[N@@H+](Cc1cccc(O)c1Cl)C[C@@H]1CC1(C)C ZINC000584898046 570385792 /nfs/dbraw/zinc/38/57/92/570385792.db2.gz UUGRBUUNINZNAG-NSHDSACASA-N 0 0 253.773 3.524 50 0 CHAARN CCc1cccc(NC(=O)c2c[nH]c(=O)c3ccccc23)c1 ZINC000253536994 570387506 /nfs/dbraw/zinc/38/75/06/570387506.db2.gz XRAGLCGZIHARBB-UHFFFAOYSA-N 0 0 292.338 3.755 50 0 CHAARN Cc1ccc2nc([C@@H]3CCC(F)(F)C3)[nH]c(=O)c2c1 ZINC000253535183 570387524 /nfs/dbraw/zinc/38/75/24/570387524.db2.gz VYILYXFHWILJSY-SECBINFHSA-N 0 0 264.275 3.547 50 0 CHAARN O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccncc1 ZINC000012526570 570388227 /nfs/dbraw/zinc/38/82/27/570388227.db2.gz KBSRBRFUFSWQAM-GOSISDBHSA-N 0 0 292.382 3.548 50 0 CHAARN Cc1ccccc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000012886440 570390179 /nfs/dbraw/zinc/39/01/79/570390179.db2.gz WAIRFPCNDIAGME-UHFFFAOYSA-N 0 0 261.708 3.606 50 0 CHAARN CNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000012913525 570390306 /nfs/dbraw/zinc/39/03/06/570390306.db2.gz SNTHXXSVFLHPGX-UHFFFAOYSA-N 0 0 296.301 3.507 50 0 CHAARN Cc1nc(-c2ccc(NC(=O)C3CCCC3)cc2)co1 ZINC000012935353 570390603 /nfs/dbraw/zinc/39/06/03/570390603.db2.gz RELIEWHZEUGDRS-UHFFFAOYSA-N 0 0 270.332 3.779 50 0 CHAARN CC[C@H](C)[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cccnc1 ZINC000055183408 570393138 /nfs/dbraw/zinc/39/31/38/570393138.db2.gz HEDBNLIREWGWCP-AWEZNQCLSA-N 0 0 298.386 3.581 50 0 CHAARN CCCCNc1ncnc2c3cc(C)ccc3[nH]c21 ZINC000002429312 570394212 /nfs/dbraw/zinc/39/42/12/570394212.db2.gz RDWDBGPDKHJUJL-UHFFFAOYSA-N 0 0 254.337 3.632 50 0 CHAARN COc1ccc(NC(=S)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000012622229 570395109 /nfs/dbraw/zinc/39/51/09/570395109.db2.gz WBKVRCSZKOFTIY-TYNCELHUSA-N 0 0 292.448 3.806 50 0 CHAARN CCCCC[C@@H]1OC[C@]2(CO)[C@@H](C)C=C(C)[C@H]1[C@@H]2C ZINC000012658034 570395519 /nfs/dbraw/zinc/39/55/19/570395519.db2.gz KWAQTWWTBCDMPK-QUSNUVHPSA-N 0 0 266.425 3.793 50 0 biogenic CHAARN O=C(CCc1ccsc1)Nc1ccc2[nH]ccc2c1 ZINC000079043160 570396180 /nfs/dbraw/zinc/39/61/80/570396180.db2.gz MMPANUWBWUXPNV-UHFFFAOYSA-N 0 0 270.357 3.801 50 0 CHAARN Cc1ccc(NC(=O)c2cccc(N(C)C)c2)c(C)c1 ZINC000002619790 570396748 /nfs/dbraw/zinc/39/67/48/570396748.db2.gz GLFRCRJCSARAMK-UHFFFAOYSA-N 0 0 268.360 3.622 50 0 CHAARN O=C(NCc1ccccc1F)c1ccc2ccccc2c1 ZINC000002635648 570397209 /nfs/dbraw/zinc/39/72/09/570397209.db2.gz AHKKUKHYJCCYFH-UHFFFAOYSA-N 0 0 279.314 3.909 50 0 CHAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccccn1 ZINC000002638468 570397665 /nfs/dbraw/zinc/39/76/65/570397665.db2.gz GENWIUDEDVMICC-UHFFFAOYSA-N 0 0 288.350 3.925 50 0 CHAARN CC(C)CCNC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000003451613 570399765 /nfs/dbraw/zinc/39/97/65/570399765.db2.gz JHMBBIHYZQDGSK-UHFFFAOYSA-N 0 0 295.597 3.818 50 0 CHAARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O ZINC000003830640 570400278 /nfs/dbraw/zinc/40/02/78/570400278.db2.gz FMGSKLZLMKYGDP-NNRKOQHJSA-N 0 0 288.431 3.879 50 0 CHAARN CN(Cc1cccs1)C(=O)c1cc2ccccc2[nH]1 ZINC000031524440 570400695 /nfs/dbraw/zinc/40/06/95/570400695.db2.gz OOYQDQIEYKDWNX-UHFFFAOYSA-N 0 0 270.357 3.502 50 0 CHAARN CCc1ncc(C(=O)N([C@H](C)c2ccco2)C2CC2)s1 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293.288 3.678 50 0 biogenic CHAARN COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000101618 169536499 /nfs/dbraw/zinc/53/64/99/169536499.db2.gz SRJQPDFYRJTJHV-UHFFFAOYSA-N 0 0 279.698 3.740 50 0 CHAARN COc1ccc(-n2c(C)c3c(c2C)c(C)nnc3C)cc1 ZINC000000111998 169539796 /nfs/dbraw/zinc/53/97/96/169539796.db2.gz ADXDGQYAKPLVKS-UHFFFAOYSA-N 0 0 281.359 3.663 50 0 CHAARN CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000000117077 169541924 /nfs/dbraw/zinc/54/19/24/169541924.db2.gz QJBICCUQQDXOQB-UHFFFAOYSA-N 0 0 279.368 3.928 50 0 CHAARN COC(=O)c1cccc2c1N[C@@H]1C[C@H](C)CC[C@@H]1C2(C)C ZINC000000121027 169542977 /nfs/dbraw/zinc/54/29/77/169542977.db2.gz LEVRTGSAASAKJI-OSAQELSMSA-N 0 0 287.403 3.981 50 0 CHAARN CSc1nccc(-c2ccc(Br)s2)n1 ZINC000000126389 169544949 /nfs/dbraw/zinc/54/49/49/169544949.db2.gz OUIMCZHMLVNCIH-UHFFFAOYSA-N 0 0 287.207 3.690 50 0 CHAARN O=C(CSc1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000000132412 169548422 /nfs/dbraw/zinc/54/84/22/169548422.db2.gz RWBITCHZPCMXCB-UHFFFAOYSA-N 0 0 297.379 3.546 50 0 CHAARN COc1ccc(NC(=O)c2cccc(Cl)c2)c(OC)c1 ZINC000000128510 169546504 /nfs/dbraw/zinc/54/65/04/169546504.db2.gz DRIKKIMMHBQSGR-UHFFFAOYSA-N 0 0 291.734 3.610 50 0 CHAARN CC(C)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 ZINC000000130432 169547449 /nfs/dbraw/zinc/54/74/49/169547449.db2.gz UYXOOSUMAVSSKM-QGZVFWFLSA-N 0 0 297.354 3.589 50 0 CHAARN Cc1cc(C)cc(NC(=O)c2cc3ccccc3oc2=O)c1 ZINC000000130248 169547545 /nfs/dbraw/zinc/54/75/45/169547545.db2.gz VEEVYXMEZKHMDL-UHFFFAOYSA-N 0 0 293.322 3.662 50 0 CHAARN Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1F ZINC000000140482 169551218 /nfs/dbraw/zinc/55/12/18/169551218.db2.gz UXRKUKRXVWJFER-UHFFFAOYSA-N 0 0 296.345 3.588 50 0 biogenic,in-vitro CHAARN O=C(Nc1ccc(Cl)cc1)c1ccc2snnc2c1 ZINC000000171335 169562871 /nfs/dbraw/zinc/56/28/71/169562871.db2.gz CNQARZPZTPBGMS-UHFFFAOYSA-N 0 0 289.747 3.597 50 0 CHAARN ONc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1 ZINC000000209718 169575392 /nfs/dbraw/zinc/57/53/92/169575392.db2.gz HVYZDTRJKOVMKA-UHFFFAOYSA-N 0 0 281.290 3.751 50 0 CHAARN Cc1cc(C(F)(F)F)nc(NCc2ccc(F)cc2)n1 ZINC000000215040 169577299 /nfs/dbraw/zinc/57/72/99/169577299.db2.gz LCUHUDGTVFKIKD-UHFFFAOYSA-N 0 0 285.244 3.555 50 0 CHAARN C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(Cl)cc1 ZINC000000236290 169582626 /nfs/dbraw/zinc/58/26/26/169582626.db2.gz XOTNYOJIVJPGHS-QWRGUYRKSA-N 0 0 251.757 3.743 50 0 CHAARN CC(C)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000000237485 169582844 /nfs/dbraw/zinc/58/28/44/169582844.db2.gz ZHCMCWLMULDAHU-UHFFFAOYSA-N 0 0 279.343 3.824 50 0 CHAARN CC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000240591 169583996 /nfs/dbraw/zinc/58/39/96/169583996.db2.gz XYDNAOKRNXDJRZ-UHFFFAOYSA-N 0 0 288.734 3.551 50 0 CHAARN Cc1nc(=O)c(-c2ccccc2)c(C)n1Cc1ccccc1 ZINC000000276098 169594936 /nfs/dbraw/zinc/59/49/36/169594936.db2.gz IWWDJFYCPQVMDZ-UHFFFAOYSA-N 0 0 290.366 3.575 50 0 CHAARN COc1ccc(NCc2ccc(C)cc2C)cc1OC ZINC000000279533 169595696 /nfs/dbraw/zinc/59/56/96/169595696.db2.gz MHWBWFHJZZOYAM-UHFFFAOYSA-N 0 0 271.360 3.933 50 0 CHAARN COc1ccc2c(c1)occ(-c1ccc(F)cc1)c2=O ZINC000000307961 169603940 /nfs/dbraw/zinc/60/39/40/169603940.db2.gz DUSDUWWJWXCTDJ-UHFFFAOYSA-N 0 0 270.259 3.608 50 0 CHAARN Cc1c(C=O)c2ccccc2n1CCOc1ccc(F)cc1 ZINC000000309073 169604375 /nfs/dbraw/zinc/60/43/75/169604375.db2.gz ZETWFVWTSDPEDA-UHFFFAOYSA-N 0 0 297.329 3.980 50 0 CHAARN CCC(=O)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000000312407 169605267 /nfs/dbraw/zinc/60/52/67/169605267.db2.gz IVIYWFORLJOGDS-UHFFFAOYSA-N 0 0 270.328 3.867 50 0 CHAARN CC[C@@H](c1nc(-c2ccccn2)no1)c1ccccc1 ZINC000000312314 169605351 /nfs/dbraw/zinc/60/53/51/169605351.db2.gz UWJDXBMJSWLFMS-CYBMUJFWSA-N 0 0 265.316 3.674 50 0 CHAARN COc1ccc(CCNC(=O)CCC2CCCCC2)cc1 ZINC000000312138 169605384 /nfs/dbraw/zinc/60/53/84/169605384.db2.gz UKYRPOZSKJGZQT-UHFFFAOYSA-N 0 0 289.419 3.714 50 0 CHAARN C[C@@H](CCc1ccccc1)NC(=O)c1cccc(F)c1 ZINC000000318142 169606900 /nfs/dbraw/zinc/60/69/00/169606900.db2.gz VVETYJRPGACGCD-ZDUSSCGKSA-N 0 0 271.335 3.577 50 0 CHAARN O=c1oc2ccccc2cc1-c1cn2cc(Cl)ccc2n1 ZINC000000325068 169608316 /nfs/dbraw/zinc/60/83/16/169608316.db2.gz USHQNQQPZIXCBP-UHFFFAOYSA-N 0 0 296.713 3.761 50 0 CHAARN Cc1cc(O)c(NC(=O)Cc2ccc(Cl)cc2)cc1C ZINC000000330864 169608785 /nfs/dbraw/zinc/60/87/85/169608785.db2.gz ZAJQWQBRZWQYPH-UHFFFAOYSA-N 0 0 289.762 3.844 50 0 CHAARN CC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000000340293 169611560 /nfs/dbraw/zinc/61/15/60/169611560.db2.gz XEKAJRRMFHGNSB-UHFFFAOYSA-N 0 0 288.734 3.551 50 0 CHAARN CC1(C)C[C@@](C)(c2ccc(N)cc2)c2cc(N)ccc21 ZINC000000354242 169615619 /nfs/dbraw/zinc/61/56/19/169615619.db2.gz GDGWSSXWLLHGGV-SFHVURJKSA-N 0 0 266.388 3.838 50 0 CHAARN Cc1ccc(CNC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000000367284 169619898 /nfs/dbraw/zinc/61/98/98/169619898.db2.gz NHGUURVQANWLIO-UHFFFAOYSA-N 0 0 291.753 3.646 50 0 CHAARN Cc1cccc(C(=O)N[C@H](C)CCc2ccccc2)c1 ZINC000000370676 169620800 /nfs/dbraw/zinc/62/08/00/169620800.db2.gz DVIJULUJRZGEQX-OAHLLOKOSA-N 0 0 267.372 3.746 50 0 CHAARN Cc1ccc(NC(=S)Nc2ncccc2C)cc1 ZINC000000371563 169621058 /nfs/dbraw/zinc/62/10/58/169621058.db2.gz HHRDQMQRJFICRE-UHFFFAOYSA-N 0 0 257.362 3.507 50 0 CHAARN COc1ccc(NC(=O)c2cccnc2Cl)cc1Cl ZINC000000368214 169620372 /nfs/dbraw/zinc/62/03/72/169620372.db2.gz DTKLKEKOCYNGIB-UHFFFAOYSA-N 0 0 297.141 3.649 50 0 CHAARN Cc1ccnc(NC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000000383618 169624854 /nfs/dbraw/zinc/62/48/54/169624854.db2.gz UVMWDYHQRARRRW-UHFFFAOYSA-N 0 0 289.338 3.704 50 0 CHAARN COc1ccc(C)cc1NC(=O)Nc1cccc(F)c1 ZINC000000400225 169631140 /nfs/dbraw/zinc/63/11/40/169631140.db2.gz JQFJJZSGZWPCRK-UHFFFAOYSA-N 0 0 274.295 3.787 50 0 CHAARN O=C(Nc1ccc(F)cc1)Sc1ccccc1O ZINC000000400187 169631249 /nfs/dbraw/zinc/63/12/49/169631249.db2.gz CTCCAODOEYCFCD-UHFFFAOYSA-N 0 0 263.293 3.856 50 0 CHAARN C[C@@H](N[P@](C)(=O)c1ccccc1)c1ccccc1 ZINC000000393414 169628569 /nfs/dbraw/zinc/62/85/69/169628569.db2.gz FWGLYSIXSWYMEO-FZKQIMNGSA-N 0 0 259.289 3.571 50 0 CHAARN Clc1ccccc1-c1nnnn1-c1ccccc1Cl ZINC000000406344 169632313 /nfs/dbraw/zinc/63/23/13/169632313.db2.gz PSPPYZBYTIBZCK-UHFFFAOYSA-N 0 0 291.141 3.636 50 0 CHAARN COc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1 ZINC000000408055 169633025 /nfs/dbraw/zinc/63/30/25/169633025.db2.gz YPIXGTLZLJUOKD-UHFFFAOYSA-N 0 0 275.735 3.909 50 0 CHAARN CCOC(OCC)c1ccccc1Br ZINC000000403391 169631776 /nfs/dbraw/zinc/63/17/76/169631776.db2.gz APDGYQVYBWGBSD-UHFFFAOYSA-N 0 0 259.143 3.521 50 0 CHAARN CC[C@@H](C)Nc1ncnc2c1cnn2-c1ccc(C)cc1C ZINC000000425600 169637259 /nfs/dbraw/zinc/63/72/59/169637259.db2.gz STHOXMOLNPJMNF-CYBMUJFWSA-N 0 0 295.390 3.643 50 0 CHAARN Cc1ccc(-c2ccc(C=O)o2)c(Br)c1 ZINC000000444607 169642482 /nfs/dbraw/zinc/64/24/82/169642482.db2.gz JRJUEVPOZMWWNK-UHFFFAOYSA-N 0 0 265.106 3.830 50 0 CHAARN O=C(NC1CCCCC1)c1ccccc1C(F)(F)F ZINC000000449952 169643618 /nfs/dbraw/zinc/64/36/18/169643618.db2.gz LGBRZXOTRXSRAJ-UHFFFAOYSA-N 0 0 271.282 3.768 50 0 CHAARN COc1ccc(Cl)cc1C(=O)Nc1ccccc1F ZINC000000449953 169643690 /nfs/dbraw/zinc/64/36/90/169643690.db2.gz JBCVZRWCZITSTQ-UHFFFAOYSA-N 0 0 279.698 3.740 50 0 CHAARN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccccc1Cl ZINC000000455390 169645038 /nfs/dbraw/zinc/64/50/38/169645038.db2.gz ILXBLCBBQZWABS-RYUDHWBXSA-N 0 0 281.783 3.508 50 0 CHAARN Cc1cc(OC(C)C)c2c(c1)oc(=O)c1c2CCCC1 ZINC000000459240 169646378 /nfs/dbraw/zinc/64/63/78/169646378.db2.gz AIVMDTFOILNHCM-UHFFFAOYSA-N 0 0 272.344 3.767 50 0 CHAARN COC(=O)c1ccccc1SNc1ccccc1C ZINC000000469267 169649040 /nfs/dbraw/zinc/64/90/40/169649040.db2.gz FAUMVYFFXVIWFS-UHFFFAOYSA-N 0 0 273.357 3.901 50 0 CHAARN Cc1ccc(/C=C/C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000000476510 169651169 /nfs/dbraw/zinc/65/11/69/169651169.db2.gz VSVLFRPQQUCSIR-LHNRBYRGSA-N 0 0 265.356 3.886 50 0 CHAARN O=C(Nc1ccccc1F)[C@H]1C[C@@H]1c1ccccc1 ZINC000000476203 169651179 /nfs/dbraw/zinc/65/11/79/169651179.db2.gz ZMHIQXKHZYWCKC-OLZOCXBDSA-N 0 0 255.292 3.568 50 0 CHAARN O=C(Cc1ccc(Cl)cc1)Nc1cc(Cl)ccn1 ZINC000000476869 169651200 /nfs/dbraw/zinc/65/12/00/169651200.db2.gz VLDZQLGBALTOTE-UHFFFAOYSA-N 0 0 281.142 3.570 50 0 CHAARN Nc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1 ZINC000004025542 184528956 /nfs/dbraw/zinc/52/89/56/184528956.db2.gz RZLBDSZGWZXMIB-UHFFFAOYSA-N 0 0 269.373 3.524 50 0 CHAARN CC1(C)Nc2ccccc2O[P@]1(=O)c1ccccc1 ZINC000004052061 184530500 /nfs/dbraw/zinc/53/05/00/184530500.db2.gz WYRCAOWKXISOIS-LJQANCHMSA-N 0 0 273.272 3.831 50 0 CHAARN C[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@H]2O)CC(=O)CC4 ZINC000004082028 184531235 /nfs/dbraw/zinc/53/12/35/184531235.db2.gz BAZGVDKAIHZPOH-ZBRFXRBCSA-N 0 0 274.404 3.633 50 0 biogenic,in-vitro CHAARN C=Cc1ccc(CSc2cc(C)nc3nc(C)nn32)cc1 ZINC000004928070 184532229 /nfs/dbraw/zinc/53/22/29/184532229.db2.gz ZLJPVESYVQSEFP-UHFFFAOYSA-N 0 0 296.399 3.676 50 0 CHAARN Cc1ccccc1CSCC(=O)N(C)c1ccccc1 ZINC000013672382 184533802 /nfs/dbraw/zinc/53/38/02/184533802.db2.gz DHKUHQRHDKLYOO-UHFFFAOYSA-N 0 0 285.412 3.891 50 0 CHAARN Cc1sc2nc(C)n3c(-c4ccco4)nnc3c2c1C ZINC000066091658 184570353 /nfs/dbraw/zinc/57/03/53/184570353.db2.gz GWJDZRROVPIMGO-UHFFFAOYSA-N 0 0 284.344 3.524 50 0 CHAARN Cc1cc(C2CCC2)nc(N[C@@H](C)c2ncccc2C)n1 ZINC000071776743 184576567 /nfs/dbraw/zinc/57/65/67/184576567.db2.gz PHLPOQVOMMBFNB-ZDUSSCGKSA-N 0 0 282.391 3.929 50 0 CHAARN OCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000071781320 184577173 /nfs/dbraw/zinc/57/71/73/184577173.db2.gz DFIYQZIHZLMLHU-UHFFFAOYSA-N 0 0 268.234 3.990 50 0 CHAARN CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccco1 ZINC000048353722 184564276 /nfs/dbraw/zinc/56/42/76/184564276.db2.gz QBBHXCDOBHEZAE-LBPRGKRZSA-N 0 0 273.332 3.558 50 0 CHAARN COc1cc(NC(=O)c2cc(C)cc(C)c2)cc(OC)c1 ZINC000000496654 169656601 /nfs/dbraw/zinc/65/66/01/169656601.db2.gz QNXVWADEEYCIHX-UHFFFAOYSA-N 0 0 285.343 3.573 50 0 CHAARN CC[C@H](C)Nc1nc(-c2ccncc2)nc2ccccc21 ZINC000000521179 169661300 /nfs/dbraw/zinc/66/13/00/169661300.db2.gz OHYKXVHFZSEFPR-LBPRGKRZSA-N 0 0 278.359 3.902 50 0 CHAARN COc1cc([C@@H]2OC[C@@H]3[C@H](C)C=C(C)[C@H]2[C@@H]3C)ccc1O ZINC000000519426 533124439 /nfs/dbraw/zinc/12/44/39/533124439.db2.gz SOHWVJPJRLXISV-AJIBAPKUSA-N 0 0 288.387 3.937 50 0 biogenic CHAARN C[C@H](OC(=O)c1ncoc1[C@@H]1CCCO1)C1CCCCC1 ZINC000096407073 256768860 /nfs/dbraw/zinc/76/88/60/256768860.db2.gz AEMSRZPNHQPWKY-AAEUAGOBSA-N 0 0 293.363 3.652 50 0 CHAARN Cc1ccccc1S(=O)(=O)[C@H](C)c1ccccc1 ZINC000077646983 256862315 /nfs/dbraw/zinc/86/23/15/256862315.db2.gz ZGRWOQIKSQCHGG-CYBMUJFWSA-N 0 0 260.358 3.530 50 0 CHAARN C[C@@H](c1ccccc1)n1c2ccccc2nc1CCCO ZINC000012383930 256873292 /nfs/dbraw/zinc/87/32/92/256873292.db2.gz IXKDNEGPEZPGGZ-AWEZNQCLSA-N 0 0 280.371 3.571 50 0 CHAARN Cc1ccsc1-c1nccn1Cc1csc(C)n1 ZINC000071762223 256878376 /nfs/dbraw/zinc/87/83/76/256878376.db2.gz YJMSDFOIZGGQCC-UHFFFAOYSA-N 0 0 275.402 3.733 50 0 CHAARN Cc1cc2ccccc2n1CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000006964417 260024798 /nfs/dbraw/zinc/02/47/98/260024798.db2.gz OCEPDGUSODCJRQ-CZUORRHYSA-N 0 0 284.403 3.645 50 0 CHAARN c1nc2sc3c(c2c(NC2CCCC2)n1)CCCC3 ZINC000000540009 169664929 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169806951 /nfs/dbraw/zinc/80/69/51/169806951.db2.gz VSRNJNLNGPWIJE-UHFFFAOYSA-N 0 0 298.773 3.993 50 0 CHAARN COc1cccc(NC(=S)Nc2cccnc2Cl)c1 ZINC000002658405 169819363 /nfs/dbraw/zinc/81/93/63/169819363.db2.gz VYVDPWOIKSHYIG-UHFFFAOYSA-N 0 0 293.779 3.553 50 0 CHAARN CCCCC(=O)Nc1nc2c(s1)c(C)ccc2OC ZINC000002713949 169821935 /nfs/dbraw/zinc/82/19/35/169821935.db2.gz QGYPWWDVMZVKBP-UHFFFAOYSA-N 0 0 278.377 3.742 50 0 CHAARN CC[C@@H]1CCCCN1C(=O)CCCOc1ccccc1 ZINC000002739575 169824112 /nfs/dbraw/zinc/82/41/12/169824112.db2.gz CQKLCOSRPQDKNC-OAHLLOKOSA-N 0 0 275.392 3.637 50 0 aggregator CHAARN CCCCN(CCCC)C(=O)c1ccc(OC(C)=O)cc1 ZINC000002746613 169825005 /nfs/dbraw/zinc/82/50/05/169825005.db2.gz GURFFXQZEZDION-UHFFFAOYSA-N 0 0 291.391 3.654 50 0 CHAARN Cc1onc(-c2ccccc2)c1C(=O)NCc1cccs1 ZINC000002749831 169825485 /nfs/dbraw/zinc/82/54/85/169825485.db2.gz ZHFORBKBSFMFLR-UHFFFAOYSA-N 0 0 298.367 3.642 50 0 CHAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nccc3N2)cc1 ZINC000002770879 169827975 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CCCc1ccc(-c2nccn2C[C@H]2CCCOC2)o1 ZINC000071479464 176187512 /nfs/dbraw/zinc/18/75/12/176187512.db2.gz WQPDGDHQEBINMD-CYBMUJFWSA-N 0 0 274.364 3.522 50 0 CHAARN CC1(C)C[C@@H](c2nccn2C2Cc3ccccc3C2)CCO1 ZINC000071681204 176245268 /nfs/dbraw/zinc/24/52/68/176245268.db2.gz PBBXFJJCFGRQRB-INIZCTEOSA-N 0 0 296.414 3.896 50 0 CHAARN Cc1cccnc1C[C@H](C)Nc1nccc(C2CCCC2)n1 ZINC000071748228 176258757 /nfs/dbraw/zinc/25/87/57/176258757.db2.gz MIZDUAPPJHOXPW-AWEZNQCLSA-N 0 0 296.418 3.881 50 0 CHAARN CC(C)c1nnc2sc(C[C@H]3CCc4ccccc43)nn21 ZINC000071759430 176261405 /nfs/dbraw/zinc/26/14/05/176261405.db2.gz IRAIVIPJVBNMKL-GFCCVEGCSA-N 0 0 298.415 3.582 50 0 CHAARN CN(Cc1ccc(F)cc1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000071803334 176266525 /nfs/dbraw/zinc/26/65/25/176266525.db2.gz NWGZDTHRUQOCMX-UHFFFAOYSA-N 0 0 297.333 3.971 50 0 CHAARN Cc1c(C(=O)N2CC[C@H]2c2ccccc2)cnn1C(C)(C)C ZINC000071820894 176270811 /nfs/dbraw/zinc/27/08/11/176270811.db2.gz YNHASOFHKVTHKC-INIZCTEOSA-N 0 0 297.402 3.534 50 0 CHAARN C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000071840047 176274541 /nfs/dbraw/zinc/27/45/41/176274541.db2.gz WTSPGRKRJWUKPT-IUODEOHRSA-N 0 0 282.387 3.530 50 0 CHAARN C[C@H](Sc1ccccn1)C(=O)NCCC1=CCCCC1 ZINC000071877676 176286617 /nfs/dbraw/zinc/28/66/17/176286617.db2.gz NCOTTZVIAWVONW-ZDUSSCGKSA-N 0 0 290.432 3.569 50 0 CHAARN C[C@@H](NC(=O)C1CCCC1)c1nc(C(C)(C)C)cs1 ZINC000071882935 176289135 /nfs/dbraw/zinc/28/91/35/176289135.db2.gz UFCJXEFLSSWAAA-SNVBAGLBSA-N 0 0 280.437 3.808 50 0 CHAARN Cc1noc(C)c1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000071888050 176290568 /nfs/dbraw/zinc/29/05/68/176290568.db2.gz MMWXOXRULZIIIJ-CQSZACIVSA-N 0 0 284.359 3.740 50 0 CHAARN COCCCCC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000071915259 176298416 /nfs/dbraw/zinc/29/84/16/176298416.db2.gz XYWQAUQCTWRGER-HOTGVXAUSA-N 0 0 289.419 3.516 50 0 CHAARN COc1cc(F)ccc1NC(=O)c1c(C)cccc1C ZINC000071916480 176299671 /nfs/dbraw/zinc/29/96/71/176299671.db2.gz ZZROBWJHGQCCJB-UHFFFAOYSA-N 0 0 273.307 3.703 50 0 CHAARN C[C@@H]1CCCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000072115810 176318825 /nfs/dbraw/zinc/31/88/25/176318825.db2.gz HTMQEIDXUDNNAE-OAHLLOKOSA-N 0 0 271.404 3.757 50 0 CHAARN CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)sc1C ZINC000072119991 176319614 /nfs/dbraw/zinc/31/96/14/176319614.db2.gz JOJFJMZETNUFEP-UHFFFAOYSA-N 0 0 295.791 3.878 50 0 CHAARN COCc1noc(-c2ccc(-c3cc(C)cc(C)c3)nc2)n1 ZINC000072128444 176320975 /nfs/dbraw/zinc/32/09/75/176320975.db2.gz PLPOVWGNVWWEHJ-UHFFFAOYSA-N 0 0 295.342 3.562 50 0 CHAARN Clc1nnc(Cl)c2cc(Br)ccc12 ZINC000072194085 176337275 /nfs/dbraw/zinc/33/72/75/176337275.db2.gz MRUUOENIWOPHLR-UHFFFAOYSA-N 0 0 277.936 3.699 50 0 CHAARN CCOc1cc(C(=O)N2CCCCCC2)cc2occc21 ZINC000072240156 176348035 /nfs/dbraw/zinc/34/80/35/176348035.db2.gz IOWIUTSZOWQSRU-UHFFFAOYSA-N 0 0 287.359 3.848 50 0 CHAARN Cc1c2ccc(C)cc2oc1C(=O)N(C)CC1CC1 ZINC000072251224 176349888 /nfs/dbraw/zinc/34/98/88/176349888.db2.gz YVBVTAQADOHTOQ-UHFFFAOYSA-N 0 0 257.333 3.532 50 0 CHAARN Cc1ccc(Oc2ccc(C(=O)NC(C)C)o2)cc1 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177250984 /nfs/dbraw/zinc/25/09/84/177250984.db2.gz GEEXGTPBIRRBJJ-UHFFFAOYSA-N 0 0 297.333 3.527 50 0 CHAARN Cc1csc(N(C)Cc2cc(-c3ccccc3)no2)n1 ZINC000077321919 177252339 /nfs/dbraw/zinc/25/23/39/177252339.db2.gz SVLHYYNCHDTPIM-UHFFFAOYSA-N 0 0 285.372 3.743 50 0 CHAARN Cc1nc([C@H](C)N(C)Cc2c(C)noc2C)c(C)s1 ZINC000077320587 177252556 /nfs/dbraw/zinc/25/25/56/177252556.db2.gz BNDNOODJPWBRDB-VIFPVBQESA-N 0 0 279.409 3.558 50 0 CHAARN C[C@H](S[C@@H](C(N)=O)c1ccccc1)c1cccs1 ZINC000077961492 177313210 /nfs/dbraw/zinc/31/32/10/177313210.db2.gz FMMKFWGLDKDKTN-GXFFZTMASA-N 0 0 277.414 3.769 50 0 CHAARN O=C1N[C@H](c2nc(-c3ccccc3)cs2)N2CCCC[C@@H]12 ZINC000078759003 177382990 /nfs/dbraw/zinc/38/29/90/177382990.db2.gz YCOVPTWWRJLCTA-KBPBESRZSA-N 0 0 299.399 3.633 50 0 CHAARN Cc1cc2cc(NC(=O)c3n[nH]c4ccccc43)ccc2[nH]1 ZINC000032828573 260146210 /nfs/dbraw/zinc/14/62/10/260146210.db2.gz MUDFVAWDEODKKM-UHFFFAOYSA-N 0 0 290.326 3.605 50 0 CHAARN O=C(c1ccccc1)N1CC=C(c2ccccc2)CC1 ZINC000044671038 260646992 /nfs/dbraw/zinc/64/69/92/260646992.db2.gz CNFUXJHCOAYGKW-UHFFFAOYSA-N 0 0 263.340 3.616 50 0 CHAARN Cc1ccc(C)c(NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000002620589 261287877 /nfs/dbraw/zinc/28/78/77/261287877.db2.gz MOOLGWYGZJGVCW-UHFFFAOYSA-N 0 0 278.355 3.966 50 0 CHAARN Cc1cc2ccccc2n1CC(=O)Nc1ccccc1C ZINC000006256942 261367800 /nfs/dbraw/zinc/36/78/00/261367800.db2.gz BIHYKPYKLSJFAP-UHFFFAOYSA-N 0 0 278.355 3.897 50 0 CHAARN Cc1cc(COc2ccc(C)cc2Br)no1 ZINC000020253950 262210931 /nfs/dbraw/zinc/21/09/31/262210931.db2.gz IOEDGXLCFNVRSS-UHFFFAOYSA-N 0 0 282.137 3.633 50 0 CHAARN O=C(Nc1cc(CC2CCCCC2)[nH]n1)Nc1cccnc1 ZINC000192225165 335090304 /nfs/dbraw/zinc/09/03/04/335090304.db2.gz WMYKKFLSTYYATA-UHFFFAOYSA-N 0 0 299.378 3.572 50 0 CHAARN Cc1ccc2cnn(C(=O)Nc3cc(F)ccc3F)c2c1 ZINC000064472962 327792613 /nfs/dbraw/zinc/79/26/13/327792613.db2.gz DBOTVBITPJRFBU-UHFFFAOYSA-N 0 0 287.269 3.703 50 0 CHAARN Cc1ccc2[nH]cc(-c3cc(N4CCCCC4)ncn3)c2c1 ZINC000534656017 328339784 /nfs/dbraw/zinc/33/97/84/328339784.db2.gz HRSJGPVCOILLBV-UHFFFAOYSA-N 0 0 292.386 3.924 50 0 CHAARN CCn1nccc1-c1ccc2oc(C3CC3)nc2c1 ZINC000534658190 328341444 /nfs/dbraw/zinc/34/14/44/328341444.db2.gz GUBSGMWXLXJIJC-UHFFFAOYSA-N 0 0 253.305 3.589 50 0 CHAARN CC(C)[C@@H](NC(=O)c1sccc1Cl)c1cccnc1 ZINC000534649336 328343976 /nfs/dbraw/zinc/34/39/76/328343976.db2.gz YDMODYCLOXOARB-GFCCVEGCSA-N 0 0 294.807 3.924 50 0 CHAARN Nc1nnc(SCc2ccc(Cl)c(Cl)c2)s1 ZINC000000153679 326789772 /nfs/dbraw/zinc/78/97/72/326789772.db2.gz CWHKSVGUSBSCQP-UHFFFAOYSA-N 0 0 292.216 3.719 50 0 CHAARN Cc1ccccc1CNC(=O)[C@@H](C)Sc1ccccc1 ZINC000000329214 326791523 /nfs/dbraw/zinc/79/15/23/326791523.db2.gz VPNLESDCYCHZCT-CQSZACIVSA-N 0 0 285.412 3.792 50 0 CHAARN Cc1ccc(SCC(=O)NC2CCCCCC2)cc1 ZINC000000472963 326792409 /nfs/dbraw/zinc/79/24/09/326792409.db2.gz AZFLZKNTUBLTDF-UHFFFAOYSA-N 0 0 277.433 3.926 50 0 CHAARN CC(=O)c1cccc(NC(=S)Nc2cc(C)cc(C)n2)c1 ZINC000000610325 326792545 /nfs/dbraw/zinc/79/25/45/326792545.db2.gz OKZYPQYOMVIZQT-UHFFFAOYSA-N 0 0 299.399 3.710 50 0 CHAARN Cc1ccccc1-c1cc(N)n(-c2ccccc2C)n1 ZINC000002532591 326797587 /nfs/dbraw/zinc/79/75/87/326797587.db2.gz ROAZZHQFDNRZDD-UHFFFAOYSA-N 0 0 263.344 3.738 50 0 CHAARN CCCS[C@H]1C(C)=C(C)C(=O)N1Cc1ccccc1 ZINC000012489743 326833430 /nfs/dbraw/zinc/83/34/30/326833430.db2.gz DBIPUVITQZPOAP-INIZCTEOSA-N 0 0 275.417 3.835 50 0 CHAARN O=C(c1ccc(F)c(F)c1)c1cc(F)c(F)c(F)c1 ZINC000043210252 326934840 /nfs/dbraw/zinc/93/48/40/326934840.db2.gz IEBDIDHXDAZTNS-UHFFFAOYSA-N 0 0 272.172 3.613 50 0 CHAARN C[C@H](c1cccc(O)c1)N(C)C(=O)c1cccc2cc[nH]c21 ZINC000095972107 327079244 /nfs/dbraw/zinc/07/92/44/327079244.db2.gz VDSJQKPZLUMKQN-GFCCVEGCSA-N 0 0 294.354 3.707 50 0 CHAARN CC(C)(C)c1cnc(CNC2(c3ccccc3)CC2)o1 ZINC000069623058 327100306 /nfs/dbraw/zinc/10/03/06/327100306.db2.gz RKODCHLPHSADGM-UHFFFAOYSA-N 0 0 270.376 3.751 50 0 CHAARN CC(C)CC(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000071909287 327106368 /nfs/dbraw/zinc/10/63/68/327106368.db2.gz PJMWDCQFCXDULD-FQEVSTJZSA-N 0 0 295.448 3.718 50 0 CHAARN Cc1ccc(CC(=O)Nc2ccccc2F)c(C)c1 ZINC000072437728 327110522 /nfs/dbraw/zinc/11/05/22/327110522.db2.gz WFXPDVWLAKZPLP-UHFFFAOYSA-N 0 0 257.308 3.624 50 0 CHAARN O=C(Cc1cc2ccccc2s1)NC1CCCCC1 ZINC000045068744 328754618 /nfs/dbraw/zinc/75/46/18/328754618.db2.gz BPIGRTVNDCLMTJ-UHFFFAOYSA-N 0 0 273.401 3.893 50 0 CHAARN Cc1ccc(C(C)(C)NC(=O)c2ccc3[nH]ccc3c2)cn1 ZINC000390834484 328973749 /nfs/dbraw/zinc/97/37/49/328973749.db2.gz ZOJLJNRMFROPQM-UHFFFAOYSA-N 0 0 293.370 3.536 50 0 CHAARN O=C(Cc1cccc2cccnc21)Nc1ccc(F)cc1 ZINC000032874037 329544134 /nfs/dbraw/zinc/54/41/34/329544134.db2.gz MZSUPHUIDGDNQE-UHFFFAOYSA-N 0 0 280.302 3.555 50 0 CHAARN O=C(Nc1ccccc1F)N1CC[C@H](c2ccccc2)C1 ZINC000038567328 329551684 /nfs/dbraw/zinc/55/16/84/329551684.db2.gz RONRYNYKNSIPBT-AWEZNQCLSA-N 0 0 284.334 3.847 50 0 CHAARN CC1(C)COc2cc(NCc3ccc4[nH]cnc4c3)ccc21 ZINC000527745435 330280482 /nfs/dbraw/zinc/28/04/82/330280482.db2.gz QPTBIHHLBBANDR-UHFFFAOYSA-N 0 0 293.370 3.845 50 0 CHAARN COC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccccc2)n1 ZINC000096517671 333238761 /nfs/dbraw/zinc/23/87/61/333238761.db2.gz IYRZVLRGARAAIN-UHFFFAOYSA-N 0 0 292.338 3.634 50 0 CHAARN CCc1c(C(C)=O)oc2ccc3c(C)cc(=O)oc3c21 ZINC000000452131 336108392 /nfs/dbraw/zinc/10/83/92/336108392.db2.gz YQPFMLGSSPWXGT-UHFFFAOYSA-N 0 0 270.284 3.613 50 0 biogenic CHAARN CS[C@H](C)c1nc(-c2ccc(Br)o2)no1 ZINC000098016370 534062217 /nfs/dbraw/zinc/06/22/17/534062217.db2.gz LPMAVJQJZKGPMV-RXMQYKEDSA-N 0 0 289.154 3.516 50 0 CHAARN COc1ccccc1NC(=O)/C=C\c1ccccc1C ZINC000096557058 534164171 /nfs/dbraw/zinc/16/41/71/534164171.db2.gz PEDLWEIFPVITTC-QXMHVHEDSA-N 0 0 267.328 3.656 50 0 CHAARN Cc1cccc(NC(=O)[C@H](C)Oc2ccccc2F)c1 ZINC000000460766 518190509 /nfs/dbraw/zinc/19/05/09/518190509.db2.gz OLEHWHDFLKTINS-LBPRGKRZSA-N 0 0 273.307 3.540 50 0 CHAARN Cc1ccnc(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000115128941 534374485 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566912279 /nfs/dbraw/zinc/91/22/79/566912279.db2.gz KIMCYFCQLJVTBG-UHFFFAOYSA-N 0 0 279.698 3.740 50 0 CHAARN CCCCCCOC(=O)Cc1c[nH]c2ccccc12 ZINC000001626864 566912504 /nfs/dbraw/zinc/91/25/04/566912504.db2.gz KDMAWFBFPMXBLI-UHFFFAOYSA-N 0 0 259.349 3.834 50 0 CHAARN O=C(CCc1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000015836021 566919790 /nfs/dbraw/zinc/91/97/90/566919790.db2.gz ISEVADQFHFGBPG-HNNXBMFYSA-N 0 0 269.344 3.576 50 0 CHAARN Cc1ccccc1C(=O)N1CCc2cc3ccccc3nc21 ZINC000015841741 566924188 /nfs/dbraw/zinc/92/41/88/566924188.db2.gz OBIDBDDQUXCXEN-UHFFFAOYSA-N 0 0 288.350 3.746 50 0 CHAARN Cc1ccc(F)cc1NC(=O)c1ccc2c(c1)CCC2 ZINC000012903720 566926803 /nfs/dbraw/zinc/92/68/03/566926803.db2.gz XEWMHDALGHALQE-UHFFFAOYSA-N 0 0 269.319 3.875 50 0 CHAARN C[C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c3ccccc23)[C@@H]1C ZINC000012921367 566927644 /nfs/dbraw/zinc/92/76/44/566927644.db2.gz IEEWYRIOJGULGV-IOASZLSFSA-N 0 0 284.403 3.651 50 0 CHAARN C[C@@H](Sc1ccc(F)c(Cl)c1)C(=O)NC(C)(C)C ZINC000012920404 566927677 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/nfs/dbraw/zinc/96/06/94/566960694.db2.gz IYIRMLRXBRKTGA-UHFFFAOYSA-N 0 0 298.367 3.599 50 0 CHAARN CCCCCSc1nnc(-c2ccccc2Cl)n1N ZINC000001789704 566963972 /nfs/dbraw/zinc/96/39/72/566963972.db2.gz AKIOQLILOQRCEH-UHFFFAOYSA-N 0 0 296.827 3.595 50 0 CHAARN c1csc(-c2nccn2CCCO[C@@H]2CCCCO2)c1 ZINC000191746898 566963709 /nfs/dbraw/zinc/96/37/09/566963709.db2.gz KEZXEKIKPDGROA-CQSZACIVSA-N 0 0 292.404 3.545 50 0 CHAARN COc1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000483742 566964617 /nfs/dbraw/zinc/96/46/17/566964617.db2.gz AUTYLIQVOFZJIL-UHFFFAOYSA-N 0 0 289.762 3.920 50 0 CHAARN C[C@@H]1[C@@H](C(=O)c2ccccc2)[C@H]1C(=O)c1ccccc1 ZINC000239306275 566965837 /nfs/dbraw/zinc/96/58/37/566965837.db2.gz GQQMNGZUUPRBMD-DVSIDAKKSA-N 0 0 264.324 3.634 50 0 CHAARN C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)[C@H]1C ZINC000239046887 566965882 /nfs/dbraw/zinc/96/58/82/566965882.db2.gz FYNCDKRQFLAWQU-FYLLDIAZSA-N 0 0 278.223 3.511 50 0 CHAARN C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]3CCCC[C@H]32)[C@H](C)C1 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566987842 /nfs/dbraw/zinc/98/78/42/566987842.db2.gz HAIOHDMNPXSTHB-GFCCVEGCSA-N 0 0 256.349 3.804 50 0 CHAARN CCCCc1ccc(-c2cnn3cccnc23)cc1 ZINC000426432051 566988400 /nfs/dbraw/zinc/98/84/00/566988400.db2.gz SKNZVMWIUJEMKZ-UHFFFAOYSA-N 0 0 251.333 3.739 50 0 CHAARN CCC(CC)C(=O)N1CC(OCc2ccc(Cl)cc2)C1 ZINC000064665865 566990567 /nfs/dbraw/zinc/99/05/67/566990567.db2.gz FOUYXCOYYHGHGG-UHFFFAOYSA-N 0 0 295.810 3.504 50 0 CHAARN Cc1ccccc1NC(=O)c1cccn1-c1cccnc1C ZINC000064839219 566994719 /nfs/dbraw/zinc/99/47/19/566994719.db2.gz QKBWTKCIMYFKHN-UHFFFAOYSA-N 0 0 291.354 3.741 50 0 CHAARN Cc1noc(-c2sccc2NC(=O)c2ccccc2C)n1 ZINC000207958634 566996381 /nfs/dbraw/zinc/99/63/81/566996381.db2.gz NEDONGJNLPUVER-UHFFFAOYSA-N 0 0 299.355 3.667 50 0 CHAARN Cc1ccc(C)c(-c2cncc(C(=O)NC(C)C)c2)c1 ZINC000036346948 566996436 /nfs/dbraw/zinc/99/64/36/566996436.db2.gz KNICVGCIXHOKFH-UHFFFAOYSA-N 0 0 268.360 3.504 50 0 CHAARN Cc1ccccc1-c1cncc(C(=O)NCCC(C)C)c1 ZINC000036346860 566996820 /nfs/dbraw/zinc/99/68/20/566996820.db2.gz CGURJHRGUPTSTI-UHFFFAOYSA-N 0 0 282.387 3.833 50 0 CHAARN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000036398677 567000793 /nfs/dbraw/zinc/00/07/93/567000793.db2.gz RTEIQSVFHYOUJW-QCZZGDTMSA-N 0 0 297.320 3.724 50 0 CHAARN c1csc([C@H](N[C@@H]2CCCc3occc32)C2CC2)n1 ZINC000192903819 567001577 /nfs/dbraw/zinc/00/15/77/567001577.db2.gz SICGSGZFDXLPNE-TZMCWYRMSA-N 0 0 274.389 3.854 50 0 CHAARN C[C@H](Sc1ccccn1)c1nnc(-c2ccccc2)o1 ZINC000036397663 567001920 /nfs/dbraw/zinc/00/19/20/567001920.db2.gz QKDJCGFPOFOIBM-NSHDSACASA-N 0 0 283.356 3.985 50 0 CHAARN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OCc1ccccc1 ZINC000036393883 567002390 /nfs/dbraw/zinc/00/23/90/567002390.db2.gz BGNJFFDMGYHCJT-JKSUJKDBSA-N 0 0 297.398 3.778 50 0 CHAARN O=C([O-])c1ccc(C[NH2+]Cc2csc3ccccc23)cc1 ZINC000170090879 567005372 /nfs/dbraw/zinc/00/53/72/567005372.db2.gz HCMKFKIYRRFGJO-UHFFFAOYSA-N 0 0 297.379 3.889 50 0 CHAARN Cc1ccc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)o1 ZINC000065512494 567008283 /nfs/dbraw/zinc/00/82/83/567008283.db2.gz RIWZTDYFQIUMLG-AWEZNQCLSA-N 0 0 298.386 3.566 50 0 CHAARN Fc1cc2c(c(F)c1)CCN2Cc1cnc(C2CC2)s1 ZINC000170599889 567011741 /nfs/dbraw/zinc/01/17/41/567011741.db2.gz PWLMSHFHRMYCQR-UHFFFAOYSA-N 0 0 292.354 3.861 50 0 CHAARN C[C@H](c1ccccc1F)N(Cc1ccc(CO)o1)C1CC1 ZINC000170591336 567012488 /nfs/dbraw/zinc/01/24/88/567012488.db2.gz LHDUEPUWYXZBLX-GFCCVEGCSA-N 0 0 289.350 3.637 50 0 CHAARN O=C(Nc1ccc(O)cc1)Nc1ccc(-c2ncco2)cc1 ZINC000170604288 567013413 /nfs/dbraw/zinc/01/34/13/567013413.db2.gz FGRPHPYLSZTAKG-UHFFFAOYSA-N 0 0 295.298 3.691 50 0 CHAARN CC[C@H]1CCCCN1C(=O)Nc1cc(OC)ccc1OC ZINC000013320380 567017018 /nfs/dbraw/zinc/01/70/18/567017018.db2.gz FJPDGYOQBLRWTB-LBPRGKRZSA-N 0 0 292.379 3.500 50 0 CHAARN CC[C@@H]1CCCCN1C(=O)Nc1ccc(C)c(F)c1 ZINC000013320541 567017317 /nfs/dbraw/zinc/01/73/17/567017317.db2.gz HTZOMWNIXNSFJW-CYBMUJFWSA-N 0 0 264.344 3.931 50 0 CHAARN O=C(NCc1ccsc1)c1cc2ccccc2s1 ZINC000042936428 567017998 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/nfs/dbraw/zinc/02/04/66/567020466.db2.gz AOKBCXSLXGRHMD-HIFRSBDPSA-N 0 0 262.397 3.852 50 0 CHAARN O=C(NCCc1ccsc1)c1ccc(F)cc1Cl ZINC000013698202 567021002 /nfs/dbraw/zinc/02/10/02/567021002.db2.gz NMAPKSDFFDEWFC-UHFFFAOYSA-N 0 0 283.755 3.513 50 0 CHAARN CC[C@@H](C)NC(=O)NCc1ccc(Cl)cc1Cl ZINC000013746295 567021415 /nfs/dbraw/zinc/02/14/15/567021415.db2.gz KPSNPNRRBUDPLD-MRVPVSSYSA-N 0 0 275.179 3.591 50 0 CHAARN Cc1ccc(C2=N/C(=C\c3ccc(F)cc3F)C(=O)O2)cc1 ZINC000014229278 567022818 /nfs/dbraw/zinc/02/28/18/567022818.db2.gz LUORTUJZTRAEPP-NVNXTCNLSA-N 0 0 299.276 3.618 50 0 CHAARN COCCn1c2ccccc2nc1-c1cccc(C)c1C ZINC000089688773 567024578 /nfs/dbraw/zinc/02/45/78/567024578.db2.gz PWSKRJPEJLXSKL-UHFFFAOYSA-N 0 0 280.371 3.967 50 0 CHAARN CC(=O)c1ccc(OC(=O)C2(c3ccccc3)CCC2)cc1 ZINC000016959425 567029942 /nfs/dbraw/zinc/02/99/42/567029942.db2.gz QRBCUKRXILOBNO-UHFFFAOYSA-N 0 0 294.350 3.917 50 0 CHAARN NC(=O)Nc1ccc(/C=C2/C=Cc3ccccc32)cc1 ZINC000016951237 567030493 /nfs/dbraw/zinc/03/04/93/567030493.db2.gz IHCKIQWKCHGQNB-KAMYIIQDSA-N 0 0 262.312 3.745 50 0 CHAARN Cc1noc(C)c1N(C)C(=O)Nc1ccccc1Cl ZINC000084059752 567030611 /nfs/dbraw/zinc/03/06/11/567030611.db2.gz XWBSIGQQEDKJIE-UHFFFAOYSA-N 0 0 279.727 3.613 50 0 CHAARN CCOc1ccc(N(C)C(=O)C[C@@H](C)n2cccc2)cc1 ZINC000089991119 567033599 /nfs/dbraw/zinc/03/35/99/567033599.db2.gz CDFTVRNCYILOOC-CQSZACIVSA-N 0 0 286.375 3.501 50 0 CHAARN CC[C@@H](Cc1ccccc1)NC(=O)C1CCCCC1 ZINC000002873679 567037122 /nfs/dbraw/zinc/03/71/22/567037122.db2.gz CJVSMQUQSJMRCR-INIZCTEOSA-N 0 0 259.393 3.704 50 0 CHAARN O=c1[nH]c2ccccc2nc1/C=C/c1ccccc1Cl ZINC000017290174 567041077 /nfs/dbraw/zinc/04/10/77/567041077.db2.gz XWFRGZASARPFOI-MDZDMXLPSA-N 0 0 282.730 3.747 50 0 CHAARN CCS[C@@H]1CCCCN(C(=O)[C@H]2CCC[C@H](C)C2)C1 ZINC000170638593 567042245 /nfs/dbraw/zinc/04/22/45/567042245.db2.gz NDPOELAJJWJQHP-SOUVJXGZSA-N 0 0 283.481 3.947 50 0 CHAARN C[C@@H]1CCC[C@@H](C)N(C(=O)CC2CCCCC2)C1 ZINC000170638694 567042517 /nfs/dbraw/zinc/04/25/17/567042517.db2.gz ZDBPECIHJJYRFF-ZIAGYGMSSA-N 0 0 251.414 3.994 50 0 CHAARN C[C@@H]1CCC[C@H](C)N(C(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000170639046 567042545 /nfs/dbraw/zinc/04/25/45/567042545.db2.gz UDOJEJIANPNXBI-KGLIPLIRSA-N 0 0 297.402 3.727 50 0 CHAARN CC(=O)NCC[C@@H]1[C@H](c2c(C)n(C)c3ccccc32)C1(C)C ZINC000002109178 567044473 /nfs/dbraw/zinc/04/44/73/567044473.db2.gz BGICSBMBQSLWQY-CRAIPNDOSA-N 0 0 298.430 3.753 50 0 biogenic CHAARN OC(c1ccccc1)(c1ccccc1)C(F)(F)Cl ZINC000001675472 567056791 /nfs/dbraw/zinc/05/67/91/567056791.db2.gz UAEGZMZTWOOTCY-UHFFFAOYSA-N 0 0 268.690 3.754 50 0 CHAARN CN(C[C@H]1CC=CCC1)C(=O)c1ccncc1C(F)(F)F ZINC000252482543 567057678 /nfs/dbraw/zinc/05/76/78/567057678.db2.gz DIVPFKCJXSYZEU-NSHDSACASA-N 0 0 298.308 3.529 50 0 CHAARN c1nnc(SCCCC2CCCC2)n1C1CC1 ZINC000170647447 567062598 /nfs/dbraw/zinc/06/25/98/567062598.db2.gz WCZNLMNDKOZBPM-UHFFFAOYSA-N 0 0 251.399 3.676 50 0 CHAARN CSc1ccccc1[C@H](C)NCc1nccn1C(F)F ZINC000194872038 567068063 /nfs/dbraw/zinc/06/80/63/567068063.db2.gz IMHUKZARRDCAAR-JTQLQIEISA-N 0 0 297.374 3.851 50 0 CHAARN CN(Cc1ccco1)Cc1cncc(-c2ccccc2)c1 ZINC000037554003 567068207 /nfs/dbraw/zinc/06/82/07/567068207.db2.gz JNKOLJVYTFWQFB-UHFFFAOYSA-N 0 0 278.355 3.974 50 0 CHAARN CC(C)CNP(=O)(OCC(C)C)OCC(C)C ZINC000002256291 567073646 /nfs/dbraw/zinc/07/36/46/567073646.db2.gz WTRCTKPAXDKBML-UHFFFAOYSA-N 0 0 265.334 3.685 50 0 CHAARN COc1cc([N+](=O)[O-])c(Br)cc1C(C)(C)C ZINC000088259935 567091640 /nfs/dbraw/zinc/09/16/40/567091640.db2.gz ZOTIDWQSNCWGRN-UHFFFAOYSA-N 0 0 288.141 3.663 50 0 CHAARN Cc1ccccc1-c1csc(=N)n1-c1ccccc1 ZINC000138034242 567093033 /nfs/dbraw/zinc/09/30/33/567093033.db2.gz XGOWMHBLKLLWSH-UHFFFAOYSA-N 0 0 266.369 3.994 50 0 CHAARN Cc1ccc(OCCNC(=O)c2cc3ccccc3o2)cc1 ZINC000002343917 567099724 /nfs/dbraw/zinc/09/97/24/567099724.db2.gz GCWBRXAGGBNLBB-UHFFFAOYSA-N 0 0 295.338 3.550 50 0 CHAARN CCCCNc1ncnc2c3cc(OCC)ccc3[nH]c21 ZINC000002329630 567100461 /nfs/dbraw/zinc/10/04/61/567100461.db2.gz HZKNHIYJPDKEMO-UHFFFAOYSA-N 0 0 284.363 3.722 50 0 CHAARN Cc1cccc2ncnc(Oc3cncc(Cl)c3)c12 ZINC000301559767 567100664 /nfs/dbraw/zinc/10/06/64/567100664.db2.gz UBHMPSLUMICVBO-UHFFFAOYSA-N 0 0 271.707 3.779 50 0 CHAARN FC(F)COCCSC1=Nc2ccccc2CS1 ZINC000225439087 567112545 /nfs/dbraw/zinc/11/25/45/567112545.db2.gz OKKNXTLKVGTOJP-UHFFFAOYSA-N 0 0 289.372 3.936 50 0 CHAARN Fc1c2cnn([C@H]3CCCCO3)c2ccc1Br ZINC000114546317 567113206 /nfs/dbraw/zinc/11/32/06/567113206.db2.gz DRLHSRHZYBZJMB-LLVKDONJSA-N 0 0 299.143 3.637 50 0 CHAARN COc1cc(-n2cc[nH]c2=S)c(Cl)cc1Cl ZINC000013142702 567115695 /nfs/dbraw/zinc/11/56/95/567115695.db2.gz ASANWRAIXDBKEM-UHFFFAOYSA-N 0 0 275.160 3.850 50 0 CHAARN C[C@H](CCc1ccccc1)NC(=O)c1c[nH]c2ccccc12 ZINC000012891795 567116799 /nfs/dbraw/zinc/11/67/99/567116799.db2.gz PBNNWWVEXOIYJZ-CQSZACIVSA-N 0 0 292.382 3.919 50 0 biogenic CHAARN CCCc1c(C)nc2ncnn2c1Nc1ccc(C)c(C)c1 ZINC000013364953 567118578 /nfs/dbraw/zinc/11/85/78/567118578.db2.gz OLLLCOXOPADFCC-UHFFFAOYSA-N 0 0 295.390 3.746 50 0 CHAARN CC(C)CCOc1ccc(Cl)cc1CN1CCOCC1 ZINC000019809178 567122061 /nfs/dbraw/zinc/12/20/61/567122061.db2.gz BCUSJEBDSGZLBB-UHFFFAOYSA-N 0 0 297.826 3.597 50 0 CHAARN Cc1cncc(C(=O)N[C@H](C)c2cc3ccccc3o2)c1 ZINC000079321928 567123826 /nfs/dbraw/zinc/12/38/26/567123826.db2.gz CTSRQNBMUPWTOX-GFCCVEGCSA-N 0 0 280.327 3.627 50 0 CHAARN O=C(CSc1ccncc1)NCC1CCCCCCC1 ZINC000079179486 567123877 /nfs/dbraw/zinc/12/38/77/567123877.db2.gz IZRXLNUWTYVOHO-UHFFFAOYSA-N 0 0 292.448 3.650 50 0 CHAARN CC[C@@H](NCc1cc2ccccc2s1)c1noc(C)n1 ZINC000095412278 567129357 /nfs/dbraw/zinc/12/93/57/567129357.db2.gz YWQPVRJDXXSAOQ-CYBMUJFWSA-N 0 0 287.388 3.834 50 0 CHAARN CC(C)C[C@@H](NCc1ccsc1)C(=O)OC(C)(C)C ZINC000095414168 567129380 /nfs/dbraw/zinc/12/93/80/567129380.db2.gz TUUIZHCAZATJEU-CYBMUJFWSA-N 0 0 283.437 3.594 50 0 CHAARN C[C@H](N[C@H](c1ccccc1)c1ccccn1)c1ccccn1 ZINC000095349352 567129425 /nfs/dbraw/zinc/12/94/25/567129425.db2.gz RDOQRUWYOYYMFD-HNAYVOBHSA-N 0 0 289.382 3.917 50 0 CHAARN COc1cccc2c1OC[C@@H](Cc1ccc(C)nc1C)C2 ZINC000095370074 567129644 /nfs/dbraw/zinc/12/96/44/567129644.db2.gz LILUMHOMQZVZCT-AWEZNQCLSA-N 0 0 283.371 3.501 50 0 CHAARN Cc1n[nH]cc1CNc1cccc(CSC(C)C)c1 ZINC000095429266 567130680 /nfs/dbraw/zinc/13/06/80/567130680.db2.gz SRWQTXKIKIIACW-UHFFFAOYSA-N 0 0 275.421 3.972 50 0 CHAARN C[C@H](c1cccc(Cl)c1)[S@@](=O)CC1CCOCC1 ZINC000095439196 567133657 /nfs/dbraw/zinc/13/36/57/567133657.db2.gz DLZSBZWJRXQXOD-ADLMAVQZSA-N 0 0 286.824 3.576 50 0 CHAARN c1cc2c(cccc2CNc2cccc(-c3nc[nH]n3)c2)[nH]1 ZINC000095431145 567134441 /nfs/dbraw/zinc/13/44/41/567134441.db2.gz OIPSYXZSHLAPIM-UHFFFAOYSA-N 0 0 289.342 3.565 50 0 CHAARN O=C(CC1=CCCCC1)NCC1(c2ccncc2)CCCC1 ZINC000095453016 567134513 /nfs/dbraw/zinc/13/45/13/567134513.db2.gz FWRQENYGKWFZHB-UHFFFAOYSA-N 0 0 298.430 3.900 50 0 CHAARN Cc1nc(C(C)(C)NCc2ncc(C3CC3)o2)sc1C ZINC000095444974 567134609 /nfs/dbraw/zinc/13/46/09/567134609.db2.gz VVYWDWXBFDQLSD-UHFFFAOYSA-N 0 0 291.420 3.650 50 0 CHAARN CC[C@H](C)[C@H]1CCCCN1c1ccc(C(F)(F)F)nn1 ZINC000095985535 567136239 /nfs/dbraw/zinc/13/62/39/567136239.db2.gz WBBSHRGEYHVTAG-WDEREUQCSA-N 0 0 287.329 3.900 50 0 CHAARN c1cn(CCCc2ccccc2)c(-c2ccncc2)n1 ZINC000095464709 567136552 /nfs/dbraw/zinc/13/65/52/567136552.db2.gz KVPIYDXCMPYVAI-UHFFFAOYSA-N 0 0 263.344 3.578 50 0 CHAARN C(=C\c1ccc2ccccc2n1)\c1cn(-c2ccccc2)nn1 ZINC000096316190 567141837 /nfs/dbraw/zinc/14/18/37/567141837.db2.gz LVQYNIYKJOVQCF-SEYXRHQNSA-N 0 0 298.349 3.986 50 0 CHAARN Cc1noc(-c2ccccc2)c1C(=O)N1CCC2(CCC2)C1 ZINC000097108236 567142805 /nfs/dbraw/zinc/14/28/05/567142805.db2.gz FBRVSZNEWGCBAG-UHFFFAOYSA-N 0 0 296.370 3.666 50 0 CHAARN Cc1cccnc1[C@@H](NC(=O)[C@H]1CC=CCC1)C(C)C ZINC000096406301 567143261 /nfs/dbraw/zinc/14/32/61/567143261.db2.gz RYXIOAMFPZELDO-GJZGRUSLSA-N 0 0 272.392 3.560 50 0 CHAARN CSc1nnc(CSc2cccs2)s1 ZINC000096409139 567143416 /nfs/dbraw/zinc/14/34/16/567143416.db2.gz GFYIWQIXRPINRA-UHFFFAOYSA-N 0 0 260.434 3.614 50 0 CHAARN C[C@@H](c1ccccc1)N1c2ccccc2N[C@@H](C)CC1=O ZINC000021793494 567143556 /nfs/dbraw/zinc/14/35/56/567143556.db2.gz OHQJISVYTMUQDN-KBPBESRZSA-N 0 0 280.371 3.985 50 0 CHAARN CCN(C(=O)c1ccco1)c1ccc(Cl)cc1F ZINC000225656893 567145468 /nfs/dbraw/zinc/14/54/68/567145468.db2.gz AWCOOMQQEAAUIF-UHFFFAOYSA-N 0 0 267.687 3.739 50 0 CHAARN Cc1nccc(NC(=O)Nc2ccsc2)c1Cl ZINC000225551486 567146085 /nfs/dbraw/zinc/14/60/85/567146085.db2.gz SZSHHXXOCDKIJC-UHFFFAOYSA-N 0 0 267.741 3.749 50 0 CHAARN Cc1noc(C)c1CNc1cc(NC(=O)C2CC2)ccc1C ZINC000055849276 567150271 /nfs/dbraw/zinc/15/02/71/567150271.db2.gz VZSWIKZGZZHQPI-UHFFFAOYSA-N 0 0 299.374 3.560 50 0 CHAARN Cc1ccccc1NC(=O)Cc1ccc(-n2cccc2)cc1 ZINC000002928347 567156211 /nfs/dbraw/zinc/15/62/11/567156211.db2.gz RKOSRPFRQDFENB-UHFFFAOYSA-N 0 0 290.366 3.967 50 0 CHAARN CC(C)(C)[P@](=O)(c1ccncc1)N1CCCCCC1 ZINC000003173767 567162713 /nfs/dbraw/zinc/16/27/13/567162713.db2.gz ZECLZBAERKGWPR-LJQANCHMSA-N 0 0 280.352 3.660 50 0 CHAARN CCCCCc1nnc(NC(=O)c2cccc(C)c2)s1 ZINC000003154221 567162811 /nfs/dbraw/zinc/16/28/11/567162811.db2.gz KMDLIAQUKRQWEG-UHFFFAOYSA-N 0 0 289.404 3.832 50 0 CHAARN COC(=O)c1cc2ccccc2nc1-c1ccc(F)cc1 ZINC000003187186 567163778 /nfs/dbraw/zinc/16/37/78/567163778.db2.gz NCKUCSMXSVWGFM-UHFFFAOYSA-N 0 0 281.286 3.828 50 0 CHAARN O=C(OCc1ccc(Cl)cc1)c1cccnc1Cl ZINC000003280921 567167032 /nfs/dbraw/zinc/16/70/32/567167032.db2.gz QESJITPKJNLIIW-UHFFFAOYSA-N 0 0 282.126 3.745 50 0 CHAARN Cc1ccc(CNC(=O)c2cccc(OC(F)F)c2)cc1 ZINC000003279569 567167061 /nfs/dbraw/zinc/16/70/61/567167061.db2.gz XTZKORXMLOZQAN-UHFFFAOYSA-N 0 0 291.297 3.526 50 0 CHAARN c1coc(-c2nc(C3CC3)nn2C2CCCCC2)c1 ZINC000670435279 567168765 /nfs/dbraw/zinc/16/87/65/567168765.db2.gz SVKDXQZSIYRABO-UHFFFAOYSA-N 0 0 257.337 3.921 50 0 CHAARN CCOc1ccccc1C(=O)Nc1ccccc1C(C)=O ZINC000003336457 567169619 /nfs/dbraw/zinc/16/96/19/567169619.db2.gz UGQWGGMGBXVMQF-UHFFFAOYSA-N 0 0 283.327 3.540 50 0 CHAARN O=C(Nc1ccccc1F)c1nc(Cl)ccc1Cl ZINC000003359808 567171341 /nfs/dbraw/zinc/17/13/41/567171341.db2.gz KECUZSWXNPGKSC-UHFFFAOYSA-N 0 0 285.105 3.780 50 0 CHAARN S=c1oc2ccc(Cl)cc2n1CN1CCCC1 ZINC000003369177 567172405 /nfs/dbraw/zinc/17/24/05/567172405.db2.gz CQCNVUDRMWEEOF-UHFFFAOYSA-N 0 0 268.769 3.670 50 0 CHAARN CC(=O)c1ccc(OC(=O)c2cc3c(s2)CCC3)cc1 ZINC000003425178 567173893 /nfs/dbraw/zinc/17/38/93/567173893.db2.gz QIESPHGJAZYDGC-UHFFFAOYSA-N 0 0 286.352 3.659 50 0 CHAARN CCc1sc(C(=O)NCc2ccccc2)cc1C ZINC000003426562 567174178 /nfs/dbraw/zinc/17/41/78/567174178.db2.gz LOWMUVRHCWXGNS-UHFFFAOYSA-N 0 0 259.374 3.549 50 0 CHAARN Cc1ccc(NC(=O)Cc2cccs2)c2cccnc12 ZINC000031091693 567174992 /nfs/dbraw/zinc/17/49/92/567174992.db2.gz CEMZGIQJPVIFMM-UHFFFAOYSA-N 0 0 282.368 3.786 50 0 CHAARN Cc1ccc(NC(=O)c2ccccc2F)c2cccnc12 ZINC000031091793 567175610 /nfs/dbraw/zinc/17/56/10/567175610.db2.gz PVWVINAIBYHOBM-UHFFFAOYSA-N 0 0 280.302 3.935 50 0 CHAARN Cc1cc(F)ccc1NC(=O)COc1ccc(Cl)cc1 ZINC000003559024 567177735 /nfs/dbraw/zinc/17/77/35/567177735.db2.gz WHHBRBXSEFUGDY-UHFFFAOYSA-N 0 0 293.725 3.805 50 0 CHAARN Cc1csc(NC(=O)COc2cccc3ccccc32)n1 ZINC000003561897 567178419 /nfs/dbraw/zinc/17/84/19/567178419.db2.gz XHXGQUOOQMESRZ-UHFFFAOYSA-N 0 0 298.367 3.622 50 0 CHAARN Cc1sc2ncnc(N3CCCC[C@@H]3C)c2c1C ZINC000003568811 567178930 /nfs/dbraw/zinc/17/89/30/567178930.db2.gz BLGKFXIJYTUSTC-VIFPVBQESA-N 0 0 261.394 3.687 50 0 CHAARN Cc1ccc(F)cc1NC(=O)CCCOc1ccccc1 ZINC000003566293 567179039 /nfs/dbraw/zinc/17/90/39/567179039.db2.gz OLQNEPYHLPVZEV-UHFFFAOYSA-N 0 0 287.334 3.932 50 0 CHAARN C[C@@]12CCO[C@H]1N(Cc1ccccc1)c1ccccc12 ZINC000003999285 567182343 /nfs/dbraw/zinc/18/23/43/567182343.db2.gz NCMVPGABXJTSGZ-MSOLQXFVSA-N 0 0 265.356 3.711 50 0 biogenic CHAARN CC[C@@H](C)NC(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000003908259 567182893 /nfs/dbraw/zinc/18/28/93/567182893.db2.gz GIMKBTXTVQZNOF-SECBINFHSA-N 0 0 278.739 3.523 50 0 CHAARN COc1ccc(Cn2c(=O)cccc2-c2ccccc2)cc1 ZINC000004041254 567185091 /nfs/dbraw/zinc/18/50/91/567185091.db2.gz AFLHLELCGQXAFK-UHFFFAOYSA-N 0 0 291.350 3.572 50 0 CHAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1 ZINC000004090373 567186885 /nfs/dbraw/zinc/18/68/85/567186885.db2.gz PKZVPYDVEFVVAR-UHFFFAOYSA-N 0 0 295.367 3.766 50 0 CHAARN C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc(Cl)s1 ZINC000032037636 567187219 /nfs/dbraw/zinc/18/72/19/567187219.db2.gz GTRHXQVIOZAYSO-UWVGGRQHSA-N 0 0 269.797 3.935 50 0 CHAARN CC(C)CNC(=O)c1ccccc1SCc1ccco1 ZINC000032196883 567188855 /nfs/dbraw/zinc/18/88/55/567188855.db2.gz VNGHBZJYTRCBJA-UHFFFAOYSA-N 0 0 289.400 3.958 50 0 CHAARN Fc1cccc2sc(N3CCc4ccccc4C3)nc21 ZINC000004137852 567189400 /nfs/dbraw/zinc/18/94/00/567189400.db2.gz WLBODKXLWCIWJY-UHFFFAOYSA-N 0 0 284.359 3.998 50 0 CHAARN COC(=O)Nc1cc(NC(=O)C2(C)CCCC2)ccc1F ZINC000066489093 567195135 /nfs/dbraw/zinc/19/51/35/567195135.db2.gz RTPSCXSIYZEMLI-UHFFFAOYSA-N 0 0 294.326 3.523 50 0 CHAARN CC(C)(C)c1ccc(C2=NC3(CCCCC3)NC2=O)cc1 ZINC000067240484 567195189 /nfs/dbraw/zinc/19/51/89/567195189.db2.gz AECIPZHJOBSGCD-UHFFFAOYSA-N 0 0 284.403 3.563 50 0 CHAARN CS[C@@H](C)c1cccc(NC(=O)c2ccnc(F)c2)c1 ZINC000067237198 567195397 /nfs/dbraw/zinc/19/53/97/567195397.db2.gz WMCCFTVEPZMUDH-JTQLQIEISA-N 0 0 290.363 3.897 50 0 CHAARN Cc1cccc(C)c1NC(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000015992388 567196815 /nfs/dbraw/zinc/19/68/15/567196815.db2.gz SXSYGZPAQBZQJW-OAHLLOKOSA-N 0 0 295.338 3.544 50 0 CHAARN Cc1csc(-c2ccc(C(=O)N(C)CC3CC3)cc2)n1 ZINC000069516735 567200065 /nfs/dbraw/zinc/20/00/65/567200065.db2.gz UAXAHYVYZSMNLM-UHFFFAOYSA-N 0 0 286.400 3.601 50 0 CHAARN CCC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000069456460 567200349 /nfs/dbraw/zinc/20/03/49/567200349.db2.gz SNUMXPABVABWOK-GFCCVEGCSA-N 0 0 271.282 3.779 50 0 CHAARN C[C@@H]1CCN(C(=O)CC[C@H]2CCCO2)[C@H](c2ccco2)C1 ZINC000245316708 567200544 /nfs/dbraw/zinc/20/05/44/567200544.db2.gz KFKLXQUBBKVNPA-KFWWJZLASA-N 0 0 291.391 3.538 50 0 CHAARN CCCCc1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000010214297 567205128 /nfs/dbraw/zinc/20/51/28/567205128.db2.gz SBBVJPFXYGYNDB-UHFFFAOYSA-N 0 0 295.795 3.786 50 0 CHAARN O=C(CCc1ccco1)Nc1ccc(F)c(Cl)c1 ZINC000010490893 567206930 /nfs/dbraw/zinc/20/69/30/567206930.db2.gz IUKGFJAPMJCMAT-UHFFFAOYSA-N 0 0 267.687 3.643 50 0 CHAARN Cc1ccc(CNC(=O)NCC2(c3ccccc3)CC2)cc1 ZINC000010496499 567207310 /nfs/dbraw/zinc/20/73/10/567207310.db2.gz SPOZQOWVEMLDQK-UHFFFAOYSA-N 0 0 294.398 3.526 50 0 CHAARN O=C(C1CCCCC1)N1CCC[C@H]1c1cccs1 ZINC000033028511 567214965 /nfs/dbraw/zinc/21/49/65/567214965.db2.gz OZHHRRFEGDXKQQ-ZDUSSCGKSA-N 0 0 263.406 3.992 50 0 CHAARN COc1cccc(-c2cccc(C(C)=O)c2)c1OC ZINC000212937292 567219830 /nfs/dbraw/zinc/21/98/30/567219830.db2.gz MFVVNULLKGVGDF-UHFFFAOYSA-N 0 0 256.301 3.573 50 0 CHAARN O=c1cc(C(F)(F)C(F)F)oc2ccc(Cl)cc12 ZINC000000112343 567818746 /nfs/dbraw/zinc/81/87/46/567818746.db2.gz UHWSPHBDHYBDDQ-UHFFFAOYSA-N 0 0 280.604 3.803 50 0 CHAARN O=C(NCc1ccccc1)c1cccc2ccccc21 ZINC000000028394 567816590 /nfs/dbraw/zinc/81/65/90/567816590.db2.gz BLJPNWILUJTDPJ-UHFFFAOYSA-N 0 0 261.324 3.770 50 0 CHAARN CCc1ccc(OC(=O)COc2ccc(C)cc2)cc1 ZINC000000038621 567816735 /nfs/dbraw/zinc/81/67/35/567816735.db2.gz DIFSIYMMKRLGCT-UHFFFAOYSA-N 0 0 270.328 3.542 50 0 CHAARN C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000000038748 567816762 /nfs/dbraw/zinc/81/67/62/567816762.db2.gz AIPPIGGRNVDNII-NSHDSACASA-N 0 0 259.736 3.831 50 0 CHAARN Cc1cc(C)c(C(=O)COc2ccccc2O)cc1C ZINC000000043980 567816956 /nfs/dbraw/zinc/81/69/56/567816956.db2.gz ZLOHALZUBUMOCX-UHFFFAOYSA-N 0 0 270.328 3.579 50 0 CHAARN Cc1ccc(-c2nnc(Cc3ccccc3)o2)cc1 ZINC000000042625 567817026 /nfs/dbraw/zinc/81/70/26/567817026.db2.gz ONUKQDKAGUCCKD-UHFFFAOYSA-N 0 0 250.301 3.636 50 0 CHAARN Cc1cccc(NC(=O)COc2c(C)cc(C)cc2C)c1 ZINC000000050290 567817145 /nfs/dbraw/zinc/81/71/45/567817145.db2.gz MQQPBSNFHGNZNY-UHFFFAOYSA-N 0 0 283.371 3.938 50 0 CHAARN O=C(c1ccc(N2CCCC2)cc1)c1cccc(F)c1 ZINC000000054208 567817264 /nfs/dbraw/zinc/81/72/64/567817264.db2.gz UBVVSAVQIYNFQC-UHFFFAOYSA-N 0 0 269.319 3.657 50 0 CHAARN Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1 ZINC000000059471 567817401 /nfs/dbraw/zinc/81/74/01/567817401.db2.gz WNUOSDMLWUGJLZ-MRXNPFEDSA-N 0 0 269.369 3.774 50 0 CHAARN CC(C)CNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000000067021 567817645 /nfs/dbraw/zinc/81/76/45/567817645.db2.gz WDHXSUPDUPQKKE-AWEZNQCLSA-N 0 0 261.409 3.761 50 0 CHAARN CCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000000087982 567817728 /nfs/dbraw/zinc/81/77/28/567817728.db2.gz ZPFLSPBYGZXWKJ-UHFFFAOYSA-N 0 0 264.325 3.688 50 0 CHAARN COc1ccc(NC(=O)c2c(C)oc3c2CCCC3)cc1 ZINC000000086417 567817741 /nfs/dbraw/zinc/81/77/41/567817741.db2.gz ZPQMSAHRWBOMHB-UHFFFAOYSA-N 0 0 285.343 3.728 50 0 CHAARN Cc1cc(C)n(-c2ncnc3sc4c(c32)CC[C@@H](C)C4)n1 ZINC000000087201 567817871 /nfs/dbraw/zinc/81/78/71/567817871.db2.gz UDRRUMXXVNYHDY-SECBINFHSA-N 0 0 298.415 3.619 50 0 CHAARN O=C(/C=C/c1ccccc1)Oc1cccc2cccnc21 ZINC000000083263 567817900 /nfs/dbraw/zinc/81/79/00/567817900.db2.gz MGYIGSPQIHQSAA-VAWYXSNFSA-N 0 0 275.307 3.854 50 0 CHAARN O=C(c1ccc(F)cc1)c1ccc(N2CCCC2)cc1 ZINC000000088371 567817954 /nfs/dbraw/zinc/81/79/54/567817954.db2.gz DTDDIRRGKRCIBU-UHFFFAOYSA-N 0 0 269.319 3.657 50 0 CHAARN O=C1C[C@@H](c2ccccc2F)c2cc3c(cc2N1)CCC3 ZINC000000094872 567817976 /nfs/dbraw/zinc/81/79/76/567817976.db2.gz YDRIYWMIRZADEV-AWEZNQCLSA-N 0 0 281.330 3.789 50 0 CHAARN O=C1c2cccc3cccc(c32)C(=O)N1c1ccccc1 ZINC000000089855 567818084 /nfs/dbraw/zinc/81/80/84/567818084.db2.gz HWWBUBSEWUZCOC-UHFFFAOYSA-N 0 0 273.291 3.640 50 0 CHAARN O=C(Oc1cccc2cccnc21)c1ccccc1F ZINC000000097722 567818311 /nfs/dbraw/zinc/81/83/11/567818311.db2.gz AARLUPJXIMXZGP-UHFFFAOYSA-N 0 0 267.259 3.593 50 0 CHAARN C/C(=C\C(=O)N[C@@H](C)Cc1ccccc1)c1ccccc1 ZINC000000098393 567818370 /nfs/dbraw/zinc/81/83/70/567818370.db2.gz IHORYMULLKVGHT-MDJJKAFGSA-N 0 0 279.383 3.837 50 0 biogenic CHAARN O=C(NCc1ccccc1)c1cc2sccc2s1 ZINC000000108363 567818401 /nfs/dbraw/zinc/81/84/01/567818401.db2.gz UOUXYTDNAVQXNV-UHFFFAOYSA-N 0 0 273.382 3.893 50 0 CHAARN O=C(Nc1cccc(F)c1)c1ccc2ncsc2c1 ZINC000000105415 567818508 /nfs/dbraw/zinc/81/85/08/567818508.db2.gz CJCANTYTSYHSEF-UHFFFAOYSA-N 0 0 272.304 3.688 50 0 CHAARN CCOC(=O)C1=C(Nc2ccc(C)cc2)CCCC1 ZINC000000106687 567818519 /nfs/dbraw/zinc/81/85/19/567818519.db2.gz IOXSBEMQDJJFLB-UHFFFAOYSA-N 0 0 259.349 3.798 50 0 CHAARN CC1(C)C(=O)O[C@H](c2cccs2)C2(CCCCC2)C1=O ZINC000000111961 567818547 /nfs/dbraw/zinc/81/85/47/567818547.db2.gz VNSWWVDURHMVMH-GFCCVEGCSA-N 0 0 292.400 3.892 50 0 CHAARN COC(=O)c1c(C)noc1-c1cc(Cl)cc(Cl)c1 ZINC000000120980 567818634 /nfs/dbraw/zinc/81/86/34/567818634.db2.gz XNMMJXPLCIFNDV-UHFFFAOYSA-N 0 0 286.114 3.743 50 0 CHAARN Cc1noc(C)c1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000000112173 567818737 /nfs/dbraw/zinc/81/87/37/567818737.db2.gz PPCRCKMFMDOUQT-UHFFFAOYSA-N 0 0 275.695 3.662 50 0 CHAARN COc1cc(/C=C/c2ccccc2)ccc1OC(C)=O ZINC000000118458 567818777 /nfs/dbraw/zinc/81/87/77/567818777.db2.gz XPWHFTQUOIMIEH-CMDGGOBGSA-N 0 0 268.312 3.791 50 0 CHAARN CCCN(CC1CC1)C(=S)Nc1ccccc1OC ZINC000000112107 567818824 /nfs/dbraw/zinc/81/88/24/567818824.db2.gz VPDWJDMHELKWDS-UHFFFAOYSA-N 0 0 278.421 3.514 50 0 CHAARN Cc1ccc(-c2csc3nnc(C(F)(F)F)n23)cc1 ZINC000000120432 567818871 /nfs/dbraw/zinc/81/88/71/567818871.db2.gz PVDCXMQGMDYKLE-UHFFFAOYSA-N 0 0 283.278 3.785 50 0 CHAARN CCCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C ZINC000000118164 567818900 /nfs/dbraw/zinc/81/89/00/567818900.db2.gz QSFSZRNZJAHUMO-UHFFFAOYSA-N 0 0 295.342 3.937 50 0 CHAARN COc1ccccc1NC(=O)c1ccccc1Cl ZINC000000126130 567818927 /nfs/dbraw/zinc/81/89/27/567818927.db2.gz SAIVJSRZVKHIIB-UHFFFAOYSA-N 0 0 261.708 3.601 50 0 CHAARN CC1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000000127943 567818972 /nfs/dbraw/zinc/81/89/72/567818972.db2.gz UXOWNTRYVBIBRN-UHFFFAOYSA-N 0 0 287.432 3.806 50 0 CHAARN CCC(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000000123391 567819023 /nfs/dbraw/zinc/81/90/23/567819023.db2.gz CJSWPAIDRBIZQZ-UHFFFAOYSA-N 0 0 294.306 3.775 50 0 biogenic CHAARN CC(C)c1ccc(OC(=O)COc2ccccc2)cc1 ZINC000000129612 567819352 /nfs/dbraw/zinc/81/93/52/567819352.db2.gz WQJCITCWMUXGSC-UHFFFAOYSA-N 0 0 270.328 3.794 50 0 CHAARN CCOc1ccccc1C(=O)Nc1ccc(C)cc1C ZINC000000128781 567819370 /nfs/dbraw/zinc/81/93/70/567819370.db2.gz LCDOJJPDVWLOQR-UHFFFAOYSA-N 0 0 269.344 3.954 50 0 CHAARN CCc1cccc(C)c1NS(=O)(=O)c1ccc(C)cc1 ZINC000000130320 567819382 /nfs/dbraw/zinc/81/93/82/567819382.db2.gz YNCQUZFZSSIMQF-UHFFFAOYSA-N 0 0 289.400 3.667 50 0 CHAARN Brc1ccc2nc(-c3ccccc3)cn2c1 ZINC000000134520 567819743 /nfs/dbraw/zinc/81/97/43/567819743.db2.gz JECUQJPFGTUNCJ-UHFFFAOYSA-N 0 0 273.133 3.764 50 0 CHAARN C[C@H]1CN=C(Nc2cccc(C(F)(F)F)c2)S1 ZINC000000134995 567819845 /nfs/dbraw/zinc/81/98/45/567819845.db2.gz DCKNPUPMYYQONS-ZETCQYMHSA-N 0 0 260.284 3.609 50 0 CHAARN CCOC(=O)c1c(N)scc1-c1ccc(C)c(C)c1 ZINC000000137123 567819865 /nfs/dbraw/zinc/81/98/65/567819865.db2.gz KLIHUUITIBDJMQ-UHFFFAOYSA-N 0 0 275.373 3.791 50 0 CHAARN Cc1nn(-c2ccccc2C)c2c1C(=O)CC(C)(C)C2 ZINC000000140641 567820060 /nfs/dbraw/zinc/82/00/60/567820060.db2.gz CEQHOPZYRCRTMN-UHFFFAOYSA-N 0 0 268.360 3.644 50 0 CHAARN Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 ZINC000000146390 567820269 /nfs/dbraw/zinc/82/02/69/567820269.db2.gz TXWHLSLBDQJHHF-UHFFFAOYSA-N 0 0 259.161 3.623 50 0 CHAARN COC(=O)c1sccc1OCc1ccc(Cl)cc1 ZINC000000146473 567820314 /nfs/dbraw/zinc/82/03/14/567820314.db2.gz DUVIRIQWBNKRPB-UHFFFAOYSA-N 0 0 282.748 3.767 50 0 CHAARN O=Cc1cc(Br)ccc1OCc1ccccc1 ZINC000000147912 567820334 /nfs/dbraw/zinc/82/03/34/567820334.db2.gz LXYOEDGDQBDZFK-UHFFFAOYSA-N 0 0 291.144 3.841 50 0 CHAARN CC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000000146637 567820511 /nfs/dbraw/zinc/82/05/11/567820511.db2.gz ZONNVJGZQKZEGK-UHFFFAOYSA-N 0 0 273.719 3.795 50 0 CHAARN Clc1ccc2nc3c(nc2c1)Nc1ncccc1O3 ZINC000000161617 567820583 /nfs/dbraw/zinc/82/05/83/567820583.db2.gz HPSHMCMVFDSXKI-UHFFFAOYSA-N 0 0 270.679 3.528 50 0 CHAARN O=C(c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000000155232 567820795 /nfs/dbraw/zinc/82/07/95/567820795.db2.gz IOXDAYKKVHAKSX-UHFFFAOYSA-N 0 0 250.219 3.936 50 0 CHAARN O=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000000169953 567820980 /nfs/dbraw/zinc/82/09/80/567820980.db2.gz WYJJMTQGJWFVPV-UHFFFAOYSA-N 0 0 257.676 3.961 50 0 CHAARN CC(=O)c1ccccc1OCc1cnc(Cl)s1 ZINC000000167673 567821126 /nfs/dbraw/zinc/82/11/26/567821126.db2.gz CJOFVPPYQGMNCL-UHFFFAOYSA-N 0 0 267.737 3.578 50 0 CHAARN O=C(Oc1cccc2cccnc21)c1cccc(F)c1 ZINC000000177907 567821609 /nfs/dbraw/zinc/82/16/09/567821609.db2.gz MOHPFGWDSJMANW-UHFFFAOYSA-N 0 0 267.259 3.593 50 0 CHAARN O=C(c1ccccc1)N(Cc1ccccc1)c1ccccn1 ZINC000000183052 567821787 /nfs/dbraw/zinc/82/17/87/567821787.db2.gz RQQKNGSEULEQHA-UHFFFAOYSA-N 0 0 288.350 3.929 50 0 CHAARN COc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1 ZINC000000185686 567821849 /nfs/dbraw/zinc/82/18/49/567821849.db2.gz ZACZBMSSWOKNMG-UHFFFAOYSA-N 0 0 285.343 3.735 50 0 CHAARN CC(=O)c1c(C)nc(-c2ccc(Cl)c(Cl)c2)n1O ZINC000000198007 567821968 /nfs/dbraw/zinc/82/19/68/567821968.db2.gz DIEDUXLLQSEJIU-UHFFFAOYSA-N 0 0 285.130 3.605 50 0 CHAARN Cc1cccc(Nc2nc(-c3ccc(O)cc3O)cs2)n1 ZINC000000202302 567822025 /nfs/dbraw/zinc/82/20/25/567822025.db2.gz QLYAYLLNMYASPE-UHFFFAOYSA-N 0 0 299.355 3.668 50 0 CHAARN c1ccc(CCSc2nc3ccccc3[nH]2)cc1 ZINC000000202635 567822068 /nfs/dbraw/zinc/82/20/68/567822068.db2.gz YXSILMYONHYNFY-UHFFFAOYSA-N 0 0 254.358 3.898 50 0 CHAARN FC(F)(F)c1cc(-c2ccco2)nc(N2CCCCC2)n1 ZINC000000213239 567822588 /nfs/dbraw/zinc/82/25/88/567822588.db2.gz FKISVTVJHQPRJF-UHFFFAOYSA-N 0 0 297.280 3.746 50 0 CHAARN CCc1ccc(C(=O)c2cnc3ccc(C)cc3c2O)cc1 ZINC000000248781 567822991 /nfs/dbraw/zinc/82/29/91/567822991.db2.gz MCNFBRANSXLTNG-UHFFFAOYSA-N 0 0 291.350 3.630 50 0 CHAARN CCOC(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000000256656 567823094 /nfs/dbraw/zinc/82/30/94/567823094.db2.gz WOODPAWHQGLZAE-UHFFFAOYSA-N 0 0 256.305 3.999 50 0 CHAARN O=C(Nc1cccc2c1CCCC2)c1ccccc1O ZINC000000268381 567823102 /nfs/dbraw/zinc/82/31/02/567823102.db2.gz ZJGFUVXRYPHSOB-UHFFFAOYSA-N 0 0 267.328 3.523 50 0 CHAARN O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccco1 ZINC000000257201 567823239 /nfs/dbraw/zinc/82/32/39/567823239.db2.gz UHINWAUZILGLLU-UHFFFAOYSA-N 0 0 290.750 3.786 50 0 CHAARN CCC[C@H](C)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000000249728 567823377 /nfs/dbraw/zinc/82/33/77/567823377.db2.gz QUOSFWRFWKAFDT-JTQLQIEISA-N 0 0 281.425 3.961 50 0 CHAARN c1ccc(-c2nnc(-c3ccccc3)c3nsnc32)cc1 ZINC000000273605 567823758 /nfs/dbraw/zinc/82/37/58/567823758.db2.gz IMYCEEBOOINTSO-UHFFFAOYSA-N 0 0 290.351 3.815 50 0 CHAARN O=C(/C=C/c1ccccc1)Nc1ccc2ccccc2n1 ZINC000000284687 567823825 /nfs/dbraw/zinc/82/38/25/567823825.db2.gz WKZHLRLMXLKBNK-JLHYYAGUSA-N 0 0 274.323 3.887 50 0 CHAARN Cc1cc(C)c(C(=O)c2ccc(C(=O)N(C)C)cc2)c(C)c1 ZINC000000296468 567824379 /nfs/dbraw/zinc/82/43/79/567824379.db2.gz PBQNQTAIQVWPBA-UHFFFAOYSA-N 0 0 295.382 3.545 50 0 CHAARN Cc1cccc(NC(=S)NCCc2ccccc2)c1C ZINC000000306815 567824513 /nfs/dbraw/zinc/82/45/13/567824513.db2.gz XLDQBYVUDRXPOO-UHFFFAOYSA-N 0 0 284.428 3.833 50 0 CHAARN COc1ccc(OCC(=O)Sc2ccc(C)cc2)cc1 ZINC000000302137 567824514 /nfs/dbraw/zinc/82/45/14/567824514.db2.gz QTCZVBPJWUHMRY-UHFFFAOYSA-N 0 0 288.368 3.701 50 0 CHAARN Cc1cccc(OCC(=O)Nc2cccc3c2CCCC3)c1 ZINC000000299167 567824553 /nfs/dbraw/zinc/82/45/53/567824553.db2.gz QZYVPOVUSIDNLA-UHFFFAOYSA-N 0 0 295.382 3.891 50 0 CHAARN COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000000307186 567824587 /nfs/dbraw/zinc/82/45/87/567824587.db2.gz LAKYLQOLWMIUDK-NSHDSACASA-N 0 0 289.762 3.840 50 0 CHAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Br)cc2)C1 ZINC000000305145 567824607 /nfs/dbraw/zinc/82/46/07/567824607.db2.gz SHQPZCKEWINHER-QWRGUYRKSA-N 0 0 296.208 3.567 50 0 CHAARN COc1ccccc1CNC(=O)c1cccc2ccccc21 ZINC000000299340 567824688 /nfs/dbraw/zinc/82/46/88/567824688.db2.gz QUUDIPIXSHNDEL-UHFFFAOYSA-N 0 0 291.350 3.778 50 0 CHAARN Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000000299798 567824707 /nfs/dbraw/zinc/82/47/07/567824707.db2.gz IUIBQXIYGKBEJT-UHFFFAOYSA-N 0 0 295.791 3.758 50 0 CHAARN Cc1c(Cl)cccc1NS(=O)(=O)Cc1ccccc1 ZINC000000304081 567824725 /nfs/dbraw/zinc/82/47/25/567824725.db2.gz KEEXJKXMOPOAHK-UHFFFAOYSA-N 0 0 295.791 3.590 50 0 CHAARN Brc1ccc(Cn2cnc3ccccc32)cc1 ZINC000000305432 567824750 /nfs/dbraw/zinc/82/47/50/567824750.db2.gz WEFVHHCZEFZEPB-UHFFFAOYSA-N 0 0 287.160 3.847 50 0 CHAARN Cc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1C ZINC000000309452 567824852 /nfs/dbraw/zinc/82/48/52/567824852.db2.gz LIFPSWXLDNROQV-UHFFFAOYSA-N 0 0 298.411 3.739 50 0 CHAARN Cc1ccc(C)c(NC(=S)NC(=O)c2ccccc2C)c1 ZINC000000309455 567825014 /nfs/dbraw/zinc/82/50/14/567825014.db2.gz ISCMVXDYCWGKHP-UHFFFAOYSA-N 0 0 298.411 3.739 50 0 CHAARN O=C(/C=C/c1ccco1)Nc1ccc(F)c(Cl)c1 ZINC000000310641 567825023 /nfs/dbraw/zinc/82/50/23/567825023.db2.gz ITDUADYMCKVROO-GQCTYLIASA-N 0 0 265.671 3.724 50 0 CHAARN Cc1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1 ZINC000000309916 567825027 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Cc1nc(Br)c(Br)c(C)c1C ZINC000000480689 567832590 /nfs/dbraw/zinc/83/25/90/567832590.db2.gz AGKZMFVFQKVRJQ-UHFFFAOYSA-N 0 0 278.975 3.532 50 0 CHAARN CCN(C(=O)OC)[C@@H](c1ccccc1)[C@@H]1CCCCC1=O ZINC000000478181 567832773 /nfs/dbraw/zinc/83/27/73/567832773.db2.gz BVPOVRXTVIIQRZ-ZBFHGGJFSA-N 0 0 289.375 3.575 50 0 CHAARN COc1cccc(C(=O)Nc2cc(C)cc(C)c2)c1OC ZINC000000496531 567833040 /nfs/dbraw/zinc/83/30/40/567833040.db2.gz MNFQYXWXKVSEOI-UHFFFAOYSA-N 0 0 285.343 3.573 50 0 CHAARN COc1nc(-c2ccccc2)ccc1-c1noc(C(C)C)n1 ZINC000000498664 567833065 /nfs/dbraw/zinc/83/30/65/567833065.db2.gz OREOVHBLOLXNAL-UHFFFAOYSA-N 0 0 295.342 3.931 50 0 CHAARN Cc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000000514226 567833071 /nfs/dbraw/zinc/83/30/71/567833071.db2.gz ANVUKJDKJYJFNE-UHFFFAOYSA-N 0 0 289.400 3.721 50 0 CHAARN CCc1nc2c3ccccc3oc2c(NC[C@@H]2CCCO2)n1 ZINC000000542851 567833209 /nfs/dbraw/zinc/83/32/09/567833209.db2.gz AMPDMRCJIODYTI-NSHDSACASA-N 0 0 297.358 3.529 50 0 CHAARN CC(C)(C)C1=CSc2nnc(C3CCCCC3)n2N1 ZINC000000534082 567833226 /nfs/dbraw/zinc/83/32/26/567833226.db2.gz XJRBAZDZCXFLBD-UHFFFAOYSA-N 0 0 278.425 3.682 50 0 CHAARN c1nc2ccccc2n1CCOc1ccc2c(c1)CCC2 ZINC000000527786 567833431 /nfs/dbraw/zinc/83/34/31/567833431.db2.gz OERFBJBJQWRHQD-UHFFFAOYSA-N 0 0 278.355 3.604 50 0 CHAARN Cc1ccccc1-c1nnc2sc(-c3ccccc3)nn21 ZINC000000529622 567833505 /nfs/dbraw/zinc/83/35/05/567833505.db2.gz VZJDTUZDWAZIMZ-UHFFFAOYSA-N 0 0 292.367 3.828 50 0 CHAARN COc1c(C)cccc1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000000568778 567833751 /nfs/dbraw/zinc/83/37/51/567833751.db2.gz CFHXMPKRUXCIHQ-UHFFFAOYSA-N 0 0 299.414 3.558 50 0 CHAARN O=C(NCc1ccncc1)Nc1cccc(Cl)c1Cl ZINC000000611468 567833893 /nfs/dbraw/zinc/83/38/93/567833893.db2.gz DEQBPINVLAPOLN-UHFFFAOYSA-N 0 0 296.157 3.710 50 0 CHAARN Cc1cc(C)cc(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000000574437 567834062 /nfs/dbraw/zinc/83/40/62/567834062.db2.gz OOACZPRGBSIWTQ-UHFFFAOYSA-N 0 0 289.762 3.974 50 0 CHAARN c1nc2sc3c(c2c(NC2CCCC2)n1)CCC3 ZINC000000572949 567834083 /nfs/dbraw/zinc/83/40/83/567834083.db2.gz BURZCHJJCYVNPF-UHFFFAOYSA-N 0 0 259.378 3.535 50 0 CHAARN CC(C)=CCOc1cc(C)cc2oc(=O)cc(C)c12 ZINC000000608827 567834145 /nfs/dbraw/zinc/83/41/45/567834145.db2.gz PPRFZJGXWQZWSI-UHFFFAOYSA-N 0 0 258.317 3.755 50 0 biogenic CHAARN COc1ccc([C@H](C)NC(=O)[C@H](C)c2ccccc2)cc1 ZINC000000613030 567834191 /nfs/dbraw/zinc/83/41/91/567834191.db2.gz IHDAWOAPIODBBT-KGLIPLIRSA-N 0 0 283.371 3.676 50 0 CHAARN C[C@@H](Sc1ccccn1)C(=O)Nc1cccc(Cl)c1 ZINC000000611703 567834300 /nfs/dbraw/zinc/83/43/00/567834300.db2.gz YRLNKYNUUCOZJH-SNVBAGLBSA-N 0 0 292.791 3.854 50 0 CHAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000000616238 567834425 /nfs/dbraw/zinc/83/44/25/567834425.db2.gz XNQUMDOBRJJVEL-UHFFFAOYSA-N 0 0 295.791 3.758 50 0 CHAARN Cc1nc2ccc(NC(=O)N3CCCCC3)cc2s1 ZINC000000612982 567834484 /nfs/dbraw/zinc/83/44/84/567834484.db2.gz UEULPQSWNYNREC-UHFFFAOYSA-N 0 0 275.377 3.623 50 0 CHAARN O=C(Nc1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000000616975 567834499 /nfs/dbraw/zinc/83/44/99/567834499.db2.gz STULBSMHHJBNCE-UHFFFAOYSA-N 0 0 267.662 3.871 50 0 CHAARN CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000000612721 567834513 /nfs/dbraw/zinc/83/45/13/567834513.db2.gz OJDHMRKKGZRWRO-KRWDZBQOSA-N 0 0 296.345 3.913 50 0 CHAARN O=Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1 ZINC000000732169 567834555 /nfs/dbraw/zinc/83/45/55/567834555.db2.gz JNXPOQMTTAUBOY-UHFFFAOYSA-N 0 0 284.265 3.630 50 0 CHAARN CN(C)c1ccc(NC(=S)Nc2ccccc2F)cc1 ZINC000000618763 567834581 /nfs/dbraw/zinc/83/45/81/567834581.db2.gz WSMBASXDPVGESL-UHFFFAOYSA-N 0 0 289.379 3.701 50 0 CHAARN O=C(NCc1cccnc1)c1ccccc1-c1ccccc1 ZINC000000618114 567834670 /nfs/dbraw/zinc/83/46/70/567834670.db2.gz MVLYGYPLWBFUJP-UHFFFAOYSA-N 0 0 288.350 3.679 50 0 CHAARN CCSc1ccccc1C(=O)NC1CCCCC1 ZINC000000621388 567834760 /nfs/dbraw/zinc/83/47/60/567834760.db2.gz XVKMIIQRPVIAAJ-UHFFFAOYSA-N 0 0 263.406 3.861 50 0 CHAARN COc1ccc(C(=O)Nc2cccc(SC)c2)cc1C ZINC000014292015 567834799 /nfs/dbraw/zinc/83/47/99/567834799.db2.gz XVLHUNYGNXAAHM-UHFFFAOYSA-N 0 0 287.384 3.978 50 0 CHAARN COc1cccc2c(C)cc(NC3CCCC3)nc12 ZINC000000758868 567834849 /nfs/dbraw/zinc/83/48/49/567834849.db2.gz YYZSMARFVNEQLC-UHFFFAOYSA-N 0 0 256.349 3.906 50 0 CHAARN Nc1c2ccccc2oc1C(=O)Nc1ccc(Cl)cc1 ZINC000000798969 567834913 /nfs/dbraw/zinc/83/49/13/567834913.db2.gz JNELGAWRFWUJKS-UHFFFAOYSA-N 0 0 286.718 3.921 50 0 CHAARN O=C(NC1CCCCC1)c1ccc(CNc2ccccc2)o1 ZINC000000812239 567834959 /nfs/dbraw/zinc/83/49/59/567834959.db2.gz LMPYIFVYUWGIHC-UHFFFAOYSA-N 0 0 298.386 3.954 50 0 CHAARN CCCOC(=O)[C@H](c1ccccc1Cl)N1CCCCC1 ZINC000096026430 567835022 /nfs/dbraw/zinc/83/50/22/567835022.db2.gz KAGTVSRHEOYTFB-HNNXBMFYSA-N 0 0 295.810 3.820 50 0 CHAARN Cc1ccc(C(=O)N2CCc3ccccc32)cc1Cl ZINC000000859417 567835101 /nfs/dbraw/zinc/83/51/01/567835101.db2.gz HDBINIJJZODGNR-UHFFFAOYSA-N 0 0 271.747 3.851 50 0 CHAARN COc1ccc2oc(C)c(C(=O)NC3CCCCC3)c2c1 ZINC000000870290 567835177 /nfs/dbraw/zinc/83/51/77/567835177.db2.gz ZGLXZFNEQVVYHJ-UHFFFAOYSA-N 0 0 287.359 3.812 50 0 CHAARN Cc1cc(OCc2ccc(C=O)o2)ccc1Cl ZINC000001009223 567835423 /nfs/dbraw/zinc/83/54/23/567835423.db2.gz YFCVKBSWUILOON-UHFFFAOYSA-N 0 0 250.681 3.633 50 0 CHAARN Cc1cccc(NC(=O)N2CCc3ccccc3C2)c1 ZINC000001002620 567835449 /nfs/dbraw/zinc/83/54/49/567835449.db2.gz LFYNZRPAOXYOKT-UHFFFAOYSA-N 0 0 266.344 3.585 50 0 CHAARN Cc1cc(C)n(-c2ncnc3sc4c(c32)CCCCC4)n1 ZINC000001004566 567835508 /nfs/dbraw/zinc/83/55/08/567835508.db2.gz ICLNBVJLMJKYDR-UHFFFAOYSA-N 0 0 298.415 3.763 50 0 CHAARN O=C(Nc1nc2c(s1)CCCC2)c1c(F)cccc1F ZINC000001054190 567835706 /nfs/dbraw/zinc/83/57/06/567835706.db2.gz JFCHBSCRPDXIEJ-UHFFFAOYSA-N 0 0 294.326 3.552 50 0 CHAARN CCCC(=O)Nc1ccc(NC(=O)CCC)c(Cl)c1 ZINC000001016973 567835760 /nfs/dbraw/zinc/83/57/60/567835760.db2.gz DPMMTTXHYDUDJO-UHFFFAOYSA-N 0 0 282.771 3.817 50 0 CHAARN O=C(c1ccccc1CCc1ccccc1)N1CCCC1 ZINC000001064924 567836236 /nfs/dbraw/zinc/83/62/36/567836236.db2.gz WTDATDWOGBLXCI-UHFFFAOYSA-N 0 0 279.383 3.708 50 0 CHAARN Cc1cccc(NC(=O)c2c(N)sc3c2CCCC3)c1 ZINC000001196454 567836603 /nfs/dbraw/zinc/83/66/03/567836603.db2.gz REZVJXLAYIAXCQ-UHFFFAOYSA-N 0 0 286.400 3.770 50 0 CHAARN Cc1nc2ccccn2c1C(=O)CSc1ccc(C)cc1 ZINC000001383983 567836897 /nfs/dbraw/zinc/83/68/97/567836897.db2.gz RMFPWYPUTRMOMU-UHFFFAOYSA-N 0 0 296.395 3.926 50 0 CHAARN Cc1ccccc1C(=O)N1c2ccccc2C[C@H]1C ZINC000001431562 567837288 /nfs/dbraw/zinc/83/72/88/567837288.db2.gz WUNMRVWPZMRLJQ-CYBMUJFWSA-N 0 0 251.329 3.586 50 0 CHAARN Cc1ccc(OCc2nc3ccccc3nc2C)cc1 ZINC000001425424 567837349 /nfs/dbraw/zinc/83/73/49/567837349.db2.gz PTWFDLZHFHXSOC-UHFFFAOYSA-N 0 0 264.328 3.826 50 0 CHAARN O=c1ccc2ccc(OCc3ccccc3F)cc2o1 ZINC000001465634 567837597 /nfs/dbraw/zinc/83/75/97/567837597.db2.gz ULPKRYYPVMQRFT-UHFFFAOYSA-N 0 0 270.259 3.511 50 0 biogenic CHAARN CCCOC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000001771277 567843523 /nfs/dbraw/zinc/84/35/23/567843523.db2.gz KLIDJDJLSWROCK-UHFFFAOYSA-N 0 0 297.354 3.814 50 0 CHAARN CCCCOC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000001770705 567843527 /nfs/dbraw/zinc/84/35/27/567843527.db2.gz LSNAWKABVSRULD-UHFFFAOYSA-N 0 0 287.743 3.706 50 0 CHAARN Cc1ccc(C)c(OCCCC(=O)Nc2nccs2)c1 ZINC000001779957 567843589 /nfs/dbraw/zinc/84/35/89/567843589.db2.gz XJQVIFHMRXBDMW-UHFFFAOYSA-N 0 0 290.388 3.558 50 0 CHAARN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2)cc1 ZINC000001867107 567843863 /nfs/dbraw/zinc/84/38/63/567843863.db2.gz CWCMQKWNHUXBFQ-UHFFFAOYSA-N 0 0 298.363 3.916 50 0 CHAARN C[C@@H](O)Cn1c2ccccc2c2cc(Cl)ccc21 ZINC000002023580 567844239 /nfs/dbraw/zinc/84/42/39/567844239.db2.gz HDRKRXOQDXXAMB-SNVBAGLBSA-N 0 0 259.736 3.829 50 0 CHAARN Cc1ccccc1S(=O)(=O)Oc1cccc2ccccc21 ZINC000002061774 567844464 /nfs/dbraw/zinc/84/44/64/567844464.db2.gz JGWZATHXBOWYDA-UHFFFAOYSA-N 0 0 298.363 3.916 50 0 CHAARN CCCCc1ccc(NC(=O)/C=C/c2cnn(C)c2C)cc1 ZINC000002089578 567844704 /nfs/dbraw/zinc/84/47/04/567844704.db2.gz MAQOVOVENFJHRE-FMIVXFBMSA-N 0 0 297.402 3.723 50 0 CHAARN CCCNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc21 ZINC000002095688 567844804 /nfs/dbraw/zinc/84/48/04/567844804.db2.gz YXNTVMXYHFXOEZ-UHFFFAOYSA-N 0 0 294.354 3.943 50 0 CHAARN CCCCN(CC)C(=O)Nc1ccc(Cl)cc1 ZINC000002161958 567844923 /nfs/dbraw/zinc/84/49/23/567844923.db2.gz GLSASHQEXSFDSG-UHFFFAOYSA-N 0 0 254.761 3.994 50 0 CHAARN CC(=O)NC[C@@H]1Cc2ccccc2Sc2ccccc21 ZINC000002193123 567845215 /nfs/dbraw/zinc/84/52/15/567845215.db2.gz LMJIXMAUKHYANX-AWEZNQCLSA-N 0 0 283.396 3.614 50 0 CHAARN CCC1=C[C@](C)(CC)N2C(=O)C(=O)c3cc(C)cc1c32 ZINC000002212001 567845250 /nfs/dbraw/zinc/84/52/50/567845250.db2.gz OBDZIFLHJDWJRF-KRWDZBQOSA-N 0 0 269.344 3.500 50 0 CHAARN CC(C)c1nnc2sc(Cc3ccc(Cl)cc3)nn21 ZINC000002360386 567845543 /nfs/dbraw/zinc/84/55/43/567845543.db2.gz GTVGZBCXYKGYPR-UHFFFAOYSA-N 0 0 292.795 3.553 50 0 CHAARN OCCCc1cn(Cc2ccccc2)c2ccccc12 ZINC000002464476 567845900 /nfs/dbraw/zinc/84/59/00/567845900.db2.gz DTPQJRUTRYGKPW-UHFFFAOYSA-N 0 0 265.356 3.615 50 0 CHAARN O=Cc1ccc(-c2ccc(Br)cc2F)o1 ZINC000002506919 567846392 /nfs/dbraw/zinc/84/63/92/567846392.db2.gz IMZTWHIJPAJPQE-UHFFFAOYSA-N 0 0 269.069 3.661 50 0 CHAARN COC(=O)c1ccc(COc2cc(C)c(Cl)c(C)c2)o1 ZINC000002506003 567846400 /nfs/dbraw/zinc/84/64/00/567846400.db2.gz LWRGYOFYRSGRHE-UHFFFAOYSA-N 0 0 294.734 3.915 50 0 CHAARN CC1(C)COC(CCCC(=O)c2ccc(F)cc2F)OC1 ZINC000002518079 567847423 /nfs/dbraw/zinc/84/74/23/567847423.db2.gz ZVDSLXCFTJCNCC-UHFFFAOYSA-N 0 0 298.329 3.717 50 0 CHAARN CCOP(OCC)OP(OCC)OCC ZINC000002534760 567847679 /nfs/dbraw/zinc/84/76/79/567847679.db2.gz RDXABLXNTVBVML-UHFFFAOYSA-N 0 0 258.191 3.603 50 0 CHAARN CC(C)(C)c1cc(N)n(-c2ccc(Br)cc2)n1 ZINC000002527281 567847690 /nfs/dbraw/zinc/84/76/90/567847690.db2.gz FCDQYVXCGSUWJN-UHFFFAOYSA-N 0 0 294.196 3.515 50 0 CHAARN Nc1ccc(N2CCc3ccccc3C2)c(C(F)(F)F)c1 ZINC000002529157 567847776 /nfs/dbraw/zinc/84/77/76/567847776.db2.gz KORPLZHXGJMWBO-UHFFFAOYSA-N 0 0 292.304 3.850 50 0 CHAARN CCCCc1c2nccnc2[nH]c1-c1ccc(O)cc1 ZINC000002540737 567847864 /nfs/dbraw/zinc/84/78/64/567847864.db2.gz PRIGRJPRGZCFAS-UHFFFAOYSA-N 0 0 267.332 3.673 50 0 in-vivo CHAARN COc1cccc(Cn2cc(C=O)c3ccccc32)c1 ZINC000002558365 567848011 /nfs/dbraw/zinc/84/80/11/567848011.db2.gz LUHVNBQTVLWMTH-UHFFFAOYSA-N 0 0 265.312 3.511 50 0 CHAARN O=Cc1ccccc1OCc1cccc(Br)c1 ZINC000002566617 567848014 /nfs/dbraw/zinc/84/80/14/567848014.db2.gz YASCLTFMVVWLAN-UHFFFAOYSA-N 0 0 291.144 3.841 50 0 CHAARN CCCCCOc1ccc(Br)cc1C=O ZINC000002558314 567848041 /nfs/dbraw/zinc/84/80/41/567848041.db2.gz QMRFMGRLOVYTAK-UHFFFAOYSA-N 0 0 271.154 3.831 50 0 CHAARN Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000002557124 567848237 /nfs/dbraw/zinc/84/82/37/567848237.db2.gz ZLGORAQNGFCUFU-UHFFFAOYSA-N 0 0 269.735 3.775 50 0 CHAARN O=C(CSc1ncccn1)c1ccc(Cl)cc1Cl ZINC000002570754 567848390 /nfs/dbraw/zinc/84/83/90/567848390.db2.gz NNJHGBUOGZRJEM-UHFFFAOYSA-N 0 0 299.182 3.758 50 0 CHAARN COc1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000002634497 567848829 /nfs/dbraw/zinc/84/88/29/567848829.db2.gz JXNQYPPACYIYCS-UHFFFAOYSA-N 0 0 285.343 3.735 50 0 CHAARN Fc1cc(C(F)(F)F)cc(F)c1Br ZINC000002598088 567848892 /nfs/dbraw/zinc/84/88/92/567848892.db2.gz MJDJSTBBLBVDDK-UHFFFAOYSA-N 0 0 260.987 3.746 50 0 CHAARN CC[C@H](C)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000002813100 567849576 /nfs/dbraw/zinc/84/95/76/567849576.db2.gz WXBZYWDWFAEFQT-SRXBQZRASA-N 0 0 259.393 3.912 50 0 CHAARN FC(F)(F)c1cccc(NC(=S)N2CCCCC2)c1 ZINC000002813936 567849625 /nfs/dbraw/zinc/84/96/25/567849625.db2.gz OGKWTMYAUYKZTI-UHFFFAOYSA-N 0 0 288.338 3.888 50 0 CHAARN CSc1ccccc1C(=O)NCc1ccccc1C ZINC000002870754 567849825 /nfs/dbraw/zinc/84/98/25/567849825.db2.gz VGYPKWOTGLVTCY-UHFFFAOYSA-N 0 0 271.385 3.647 50 0 CHAARN COc1ccccc1-c1noc(-c2ccccc2C)n1 ZINC000002885320 567850099 /nfs/dbraw/zinc/85/00/99/567850099.db2.gz LGNAEYFVFIFHAK-UHFFFAOYSA-N 0 0 266.300 3.721 50 0 CHAARN CCCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000002969002 567850627 /nfs/dbraw/zinc/85/06/27/567850627.db2.gz WHYNEMPNHGSVNO-UHFFFAOYSA-N 0 0 297.354 3.930 50 0 CHAARN CCOc1ccc(C(=O)c2ccccc2Cl)cc1 ZINC000003062281 567851152 /nfs/dbraw/zinc/85/11/52/567851152.db2.gz QCHLFZYUTATZMU-UHFFFAOYSA-N 0 0 260.720 3.970 50 0 CHAARN C[C@@H]1S[C@H](c2ccc(OCc3ccccc3)cc2)NC1=O ZINC000003098216 567851352 /nfs/dbraw/zinc/85/13/52/567851352.db2.gz RBSJVEAHHJUHJQ-YVEFUNNKSA-N 0 0 299.395 3.516 50 0 CHAARN Cc1ccc(NC(=O)COc2c(C)cc(C)cc2C)cc1 ZINC000003153551 567851753 /nfs/dbraw/zinc/85/17/53/567851753.db2.gz GAZVKFHPSGGYTA-UHFFFAOYSA-N 0 0 283.371 3.938 50 0 CHAARN CC(C)N(C(=O)c1cccc(Br)c1)C(C)C ZINC000003194695 567852096 /nfs/dbraw/zinc/85/20/96/567852096.db2.gz DBWZQUIZKNKCRM-UHFFFAOYSA-N 0 0 284.197 3.708 50 0 CHAARN CCOC(=O)c1c(N)sc(C)c1-c1ccc(C)cc1 ZINC000003277812 567852097 /nfs/dbraw/zinc/85/20/97/567852097.db2.gz UFBPTRLHPVERBQ-UHFFFAOYSA-N 0 0 275.373 3.791 50 0 CHAARN CCCCOc1ccc(NC(=O)c2ccccc2)cn1 ZINC000034839741 567852101 /nfs/dbraw/zinc/85/21/01/567852101.db2.gz OGMZWLWSHRHWOG-UHFFFAOYSA-N 0 0 270.332 3.513 50 0 CHAARN Cc1cc(OCC(=O)N2[C@H](C)CCC[C@H]2C)ccc1Cl ZINC000003366049 567852236 /nfs/dbraw/zinc/85/22/36/567852236.db2.gz PVJNYVBOFTZEBW-CHWSQXEVSA-N 0 0 295.810 3.817 50 0 CHAARN Fc1ccc(NCc2noc(-c3cccc(F)c3)n2)cc1 ZINC000034904563 567852368 /nfs/dbraw/zinc/85/23/68/567852368.db2.gz WXONORUGWVQBNM-UHFFFAOYSA-N 0 0 287.269 3.627 50 0 CHAARN Cc1cccc(C(=O)c2c(N)sc3c2CC[C@H](C)C3)c1 ZINC000003338708 567852427 /nfs/dbraw/zinc/85/24/27/567852427.db2.gz LVFUJBNKVVMXQX-NSHDSACASA-N 0 0 285.412 3.995 50 0 aggregator CHAARN CCc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(C)=O ZINC000034795758 567852502 /nfs/dbraw/zinc/85/25/02/567852502.db2.gz RFDMQEKHTBZGAC-UHFFFAOYSA-N 0 0 285.391 3.895 50 0 CHAARN Cc1ccc(F)cc1NC(=O)CSc1ccccc1 ZINC000003383220 567852831 /nfs/dbraw/zinc/85/28/31/567852831.db2.gz BQBPECDJHQGEEG-UHFFFAOYSA-N 0 0 275.348 3.865 50 0 CHAARN COc1ccc(Cl)cc1NC(=O)CC1CCCC1 ZINC000003549914 567853044 /nfs/dbraw/zinc/85/30/44/567853044.db2.gz RIYUXTHRAZAIHG-UHFFFAOYSA-N 0 0 267.756 3.867 50 0 CHAARN Cc1ccc(C2(c3ccc(C)o3)C(=O)Nc3ccccc32)o1 ZINC000003846759 567854064 /nfs/dbraw/zinc/85/40/64/567854064.db2.gz NVPFHVZAGXVHQF-UHFFFAOYSA-N 0 0 293.322 3.776 50 0 CHAARN C[C@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003895708 567854175 /nfs/dbraw/zinc/85/41/75/567854175.db2.gz IZKVSVLKCKASGW-RRCMXIFQSA-N 0 0 297.442 3.950 50 0 CHAARN O=C(Nc1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000003997244 567854799 /nfs/dbraw/zinc/85/47/99/567854799.db2.gz RIRIZBNSIWAXNX-UHFFFAOYSA-N 0 0 273.351 3.981 50 0 CHAARN O=C(Nc1ccccc1)Nc1ccccc1-n1ccnc1 ZINC000004025629 567854927 /nfs/dbraw/zinc/85/49/27/567854927.db2.gz PEAJMWRJVVMYPG-UHFFFAOYSA-N 0 0 278.315 3.516 50 0 CHAARN CCc1ccc(Nc2nc3ccccc3c(=O)s2)cc1 ZINC000004117067 567855404 /nfs/dbraw/zinc/85/54/04/567855404.db2.gz FSECYCJPCKJOTP-UHFFFAOYSA-N 0 0 282.368 3.963 50 0 CHAARN O=Cc1ccc(-c2cccc(Br)c2)s1 ZINC000004312926 567856573 /nfs/dbraw/zinc/85/65/73/567856573.db2.gz XZSNNXGBKLEJKK-UHFFFAOYSA-N 0 0 267.147 3.990 50 0 CHAARN 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567900337 /nfs/dbraw/zinc/90/03/37/567900337.db2.gz VMUXHLFZVAUKTP-UHFFFAOYSA-N 0 0 252.195 3.842 50 0 CHAARN CNC(=O)c1cc(-c2c(F)cccc2OC)ccc1Cl ZINC000067784044 567900531 /nfs/dbraw/zinc/90/05/31/567900531.db2.gz STFPYPVOZCQEQM-UHFFFAOYSA-N 0 0 293.725 3.514 50 0 CHAARN COc1cccc(CCn2ccnc2-c2cccc(O)c2)c1 ZINC000067789189 567900644 /nfs/dbraw/zinc/90/06/44/567900644.db2.gz UXYDREDFENRHBC-UHFFFAOYSA-N 0 0 294.354 3.507 50 0 CHAARN Cc1cc2ccccc2n1CC(=O)Nc1ccc(C)cc1 ZINC000004687665 567901776 /nfs/dbraw/zinc/90/17/76/567901776.db2.gz KCTCRWHSLOZZSC-UHFFFAOYSA-N 0 0 278.355 3.897 50 0 CHAARN C[C@H](Cc1cccs1)NC(=O)/C=C/c1ccccc1 ZINC000033203591 567901813 /nfs/dbraw/zinc/90/18/13/567901813.db2.gz FDTDXAZZFNOSOL-WTNCMQEWSA-N 0 0 271.385 3.509 50 0 CHAARN O=C1c2ccccc2/C(=C\Cl)N1c1ccccc1 ZINC000071777870 567902135 /nfs/dbraw/zinc/90/21/35/567902135.db2.gz WJMLAJRGJSNDFZ-GXDHUFHOSA-N 0 0 255.704 3.884 50 0 CHAARN CC(C)[C@@H]1COC(c2ccccc2C(F)(F)F)=N1 ZINC000071780988 567902161 /nfs/dbraw/zinc/90/21/61/567902161.db2.gz APIQTEZSTRRTIZ-NSHDSACASA-N 0 0 257.255 3.507 50 0 CHAARN CCc1cccc(NC(=O)c2cc(-c3cccnc3)on2)c1 ZINC000033250609 567902640 /nfs/dbraw/zinc/90/26/40/567902640.db2.gz YDXGHMKKMUAQHR-UHFFFAOYSA-N 0 0 293.326 3.551 50 0 CHAARN O=C(Cc1ccc(Cl)cc1Cl)c1ccc(O)cc1O ZINC000000058246 567903132 /nfs/dbraw/zinc/90/31/32/567903132.db2.gz ISVZIHOQKCBQSD-UHFFFAOYSA-N 0 0 297.137 3.830 50 0 biogenic,in-vitro CHAARN c1csc(N2CCC[C@H](CCc3ccccc3)C2)n1 ZINC000072474779 567903369 /nfs/dbraw/zinc/90/33/69/567903369.db2.gz XXFDUAHNINRYNK-OAHLLOKOSA-N 0 0 272.417 3.992 50 0 CHAARN CSc1cccc2sc(NC[C@H]3CCCO3)nc21 ZINC000075172855 567903520 /nfs/dbraw/zinc/90/35/20/567903520.db2.gz GARSCHCUURIINY-SECBINFHSA-N 0 0 280.418 3.609 50 0 CHAARN Cc1nccc(NC(=O)c2cccc(F)c2F)c1Cl ZINC000097080066 567904273 /nfs/dbraw/zinc/90/42/73/567904273.db2.gz USZWSPXZBLOMGU-UHFFFAOYSA-N 0 0 282.677 3.574 50 0 CHAARN Cc1c(CNc2ccc(Oc3ccccc3)cn2)cnn1C ZINC000097094822 567904277 /nfs/dbraw/zinc/90/42/77/567904277.db2.gz YRDCGIOLILXSNW-UHFFFAOYSA-N 0 0 294.358 3.528 50 0 CHAARN O=C(c1occc1-c1ccccc1)N1CCc2cnccc21 ZINC000097108850 567904493 /nfs/dbraw/zinc/90/44/93/567904493.db2.gz IKDZABJGQBOZIP-UHFFFAOYSA-N 0 0 290.322 3.545 50 0 CHAARN Cc1ccc(C)c([C@@H]2CCCN2C(=O)CC(F)(F)F)c1 ZINC000335759085 567904494 /nfs/dbraw/zinc/90/44/94/567904494.db2.gz WFHOAXUBJFJMEO-ZDUSSCGKSA-N 0 0 285.309 3.919 50 0 CHAARN O=C(N(c1ccccc1)c1ccccc1)N1CCCO1 ZINC000097114672 567904504 /nfs/dbraw/zinc/90/45/04/567904504.db2.gz XIZXTSGHRJPFPG-UHFFFAOYSA-N 0 0 268.316 3.582 50 0 CHAARN O=Cc1ccccc1OCc1ccccc1Br ZINC000000035112 567904713 /nfs/dbraw/zinc/90/47/13/567904713.db2.gz CIKFZQTXYOZYSO-UHFFFAOYSA-N 0 0 291.144 3.841 50 0 CHAARN Cc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1 ZINC000000043999 567905392 /nfs/dbraw/zinc/90/53/92/567905392.db2.gz ITBGYJSOXCVTRY-UHFFFAOYSA-N 0 0 269.344 3.629 50 0 CHAARN CC(C)c1nc(CN(C)Cc2ccc3occc3c2)no1 ZINC000077440424 567905512 /nfs/dbraw/zinc/90/55/12/567905512.db2.gz LTAMJJORVCJGIL-UHFFFAOYSA-N 0 0 285.347 3.571 50 0 CHAARN Cc1ccc(-c2noc(-c3cn[nH]c3C(C)C)n2)cc1F ZINC000097164372 567905609 /nfs/dbraw/zinc/90/56/09/567905609.db2.gz DGBXWFCGFWATRE-UHFFFAOYSA-N 0 0 286.310 3.698 50 0 CHAARN O=C1/C(=C/c2ccc(F)cc2)N=C2Sc3ccccc3N12 ZINC000000048552 567905838 /nfs/dbraw/zinc/90/58/38/567905838.db2.gz OEEUDNQGKKKCFJ-XFXZXTDPSA-N 0 0 296.326 3.675 50 0 CHAARN Cc1ccsc1CNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000023137932 567906260 /nfs/dbraw/zinc/90/62/60/567906260.db2.gz RCANIRLMNLKIJB-UHFFFAOYSA-N 0 0 289.375 3.544 50 0 CHAARN Cc1cccn2cc(CN3CCCc4ccccc43)nc12 ZINC000000055567 567906265 /nfs/dbraw/zinc/90/62/65/567906265.db2.gz QVAJVTHKKHQRGN-UHFFFAOYSA-N 0 0 277.371 3.596 50 0 CHAARN C[C@H](Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)C1CC1 ZINC000097232195 567906278 /nfs/dbraw/zinc/90/62/78/567906278.db2.gz GELUTEMMFFQFMP-LBPRGKRZSA-N 0 0 295.448 3.610 50 0 CHAARN CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000000068852 567906901 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GSAMIDYKOPEHCV-UHFFFAOYSA-N 0 0 285.372 3.801 50 0 CHAARN COc1ccc(NC(=O)c2csc3c2CCCC3)cc1 ZINC000000237654 567925408 /nfs/dbraw/zinc/92/54/08/567925408.db2.gz LWCFXZIGXYIWKP-UHFFFAOYSA-N 0 0 287.384 3.888 50 0 CHAARN Cc1ccc2c(c1)/C(=C/c1ccccc1F)C(=O)N2 ZINC000000224442 567925544 /nfs/dbraw/zinc/92/55/44/567925544.db2.gz RDQMWTVUMTXRLF-LCYFTJDESA-N 0 0 253.276 3.627 50 0 CHAARN Oc1cccc(Nc2ncnc3sc4c(c32)CCC4)c1 ZINC000000250259 567925583 /nfs/dbraw/zinc/92/55/83/567925583.db2.gz RPIYLXIDWPPFGC-UHFFFAOYSA-N 0 0 283.356 3.629 50 0 CHAARN Cc1ccc(O)c(-c2cc(C(F)(F)C(F)F)on2)c1 ZINC000000306412 567926469 /nfs/dbraw/zinc/92/64/69/567926469.db2.gz YUGMLNSNEIRVBP-UHFFFAOYSA-N 0 0 275.201 3.713 50 0 CHAARN Cc1cc(Br)cc2c1OC(C)(C)CC2 ZINC000114356559 567926516 /nfs/dbraw/zinc/92/65/16/567926516.db2.gz SOQGQLUZSZZQNN-UHFFFAOYSA-N 0 0 255.155 3.861 50 0 CHAARN CCCc1nc(C)c(C(=O)NC(C)(C)CCC)s1 ZINC000050497440 567926680 /nfs/dbraw/zinc/92/66/80/567926680.db2.gz LDDBIIIUCLWVEG-UHFFFAOYSA-N 0 0 268.426 3.713 50 0 CHAARN CC(C)NC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000050535262 567926746 /nfs/dbraw/zinc/92/67/46/567926746.db2.gz DGIPXMMARRCVLB-UHFFFAOYSA-N 0 0 280.780 3.602 50 0 CHAARN CC(C)(C)c1cc(C(=O)Nc2ccccc2)ccn1 ZINC000000347161 567926991 /nfs/dbraw/zinc/92/69/91/567926991.db2.gz SFDBSEZEWVINKL-UHFFFAOYSA-N 0 0 254.333 3.631 50 0 CHAARN C[C@@]12CC[C@@H](O)[C@@]1(O)[C@@H]1CC[C@H]3CCCC[C@]3(C)[C@H]1CC2 ZINC000118935561 567927218 /nfs/dbraw/zinc/92/72/18/567927218.db2.gz GPRSOKWELPYPCU-YDWBTVLJSA-N 0 0 292.463 3.895 50 0 CHAARN COCCCCC(=O)N(C)c1cccc(C(C)C)c1 ZINC000121358172 567928108 /nfs/dbraw/zinc/92/81/08/567928108.db2.gz OQEHIVCYISVMPV-UHFFFAOYSA-N 0 0 263.381 3.590 50 0 CHAARN CS[C@@H](C(=O)Nc1ccc(C)c(O)c1)c1ccccc1 ZINC000178766282 567928371 /nfs/dbraw/zinc/92/83/71/567928371.db2.gz RDOGMRDORHKQPI-OAHLLOKOSA-N 0 0 287.384 3.743 50 0 CHAARN CCCc1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1 ZINC000011869994 567928653 /nfs/dbraw/zinc/92/86/53/567928653.db2.gz OYQMAGPMIUSEBX-UHFFFAOYSA-N 0 0 279.343 3.768 50 0 CHAARN Cc1ccc(CN(C(=O)c2ccco2)c2ccccn2)cc1 ZINC000011914719 567928838 /nfs/dbraw/zinc/92/88/38/567928838.db2.gz YOUOSSZBAYWPAR-UHFFFAOYSA-N 0 0 292.338 3.830 50 0 CHAARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H]2c2ccccn2)C1(C)C ZINC000248191429 567928957 /nfs/dbraw/zinc/92/89/57/567928957.db2.gz LJBYGTTVEVMYBP-PVAVHDDUSA-N 0 0 298.430 3.984 50 0 CHAARN O=C1C[C@H](c2ccco2)Sc2nc3ccccc3n21 ZINC000000167036 567929486 /nfs/dbraw/zinc/92/94/86/567929486.db2.gz MTFDIMFGKQZVDK-GFCCVEGCSA-N 0 0 270.313 3.507 50 0 CHAARN CSC[C@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000132309742 567929647 /nfs/dbraw/zinc/92/96/47/567929647.db2.gz WYCNBOHCSMCIJM-VIFPVBQESA-N 0 0 291.338 3.529 50 0 CHAARN O=C1CS[C@H](c2ccc(F)cc2)N1c1ccccc1F ZINC000000424012 567930550 /nfs/dbraw/zinc/93/05/50/567930550.db2.gz UNNMJJFXCWPSBS-OAHLLOKOSA-N 0 0 291.322 3.743 50 0 CHAARN CCOc1ncccc1C(=O)Nc1cccc2ccccc21 ZINC000000430436 567930769 /nfs/dbraw/zinc/93/07/69/567930769.db2.gz XNZIIMOLPFUFLH-UHFFFAOYSA-N 0 0 292.338 3.886 50 0 CHAARN CCOC(=O)c1cc2cc3ccc(OC)cc3nc2s1 ZINC000000421783 567931254 /nfs/dbraw/zinc/93/12/54/567931254.db2.gz KBKXBVOYICBINY-UHFFFAOYSA-N 0 0 287.340 3.635 50 0 CHAARN C[C@H](Cc1ccoc1)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000206662312 567932684 /nfs/dbraw/zinc/93/26/84/567932684.db2.gz FIGMTPWZZUDIRM-XSOSOZTNSA-N 0 0 287.403 3.543 50 0 CHAARN CCOc1ccc2[nH]c(SCC(=O)C(C)(C)C)nc2c1 ZINC000000196197 567935334 /nfs/dbraw/zinc/93/53/34/567935334.db2.gz IENCHFVRGVEZII-UHFFFAOYSA-N 0 0 292.404 3.669 50 0 CHAARN O=C(Nc1ccccc1)c1ccc2ccccc2c1O ZINC000000071392 567935593 /nfs/dbraw/zinc/93/55/93/567935593.db2.gz MRBHUTYSDDTIIF-UHFFFAOYSA-N 0 0 263.296 3.798 50 0 CHAARN O=C(Nc1cccc2cccnc21)NC1CCCCC1 ZINC000000314604 567935915 /nfs/dbraw/zinc/93/59/15/567935915.db2.gz FENQXWOUCAUCLZ-UHFFFAOYSA-N 0 0 269.348 3.689 50 0 CHAARN CC(C)(C)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000000282116 567935951 /nfs/dbraw/zinc/93/59/51/567935951.db2.gz YEWVKBUFRDKCAG-UHFFFAOYSA-N 0 0 276.380 3.656 50 0 CHAARN S=C1N=NC(c2cccs2)N1CCc1ccccc1 ZINC000000314482 567935976 /nfs/dbraw/zinc/93/59/76/567935976.db2.gz LJYFFCVWGYUOHC-UHFFFAOYSA-N 0 0 287.413 3.538 50 0 CHAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2)c(C)c1 ZINC000000364834 567936003 /nfs/dbraw/zinc/93/60/03/567936003.db2.gz VAYGVZMHMPXTDG-AWEZNQCLSA-N 0 0 269.344 3.709 50 0 CHAARN COc1ccc([C@](C)(O)CCc2ccccc2)cc1 ZINC000000401235 567936234 /nfs/dbraw/zinc/93/62/34/567936234.db2.gz NNCNGEKNKYUWLB-QGZVFWFLSA-N 0 0 256.345 3.536 50 0 CHAARN CC(C)COc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000000447483 567936277 /nfs/dbraw/zinc/93/62/77/567936277.db2.gz FJIPNKGOTKQZCI-UHFFFAOYSA-N 0 0 269.344 3.974 50 0 CHAARN CN(c1ccccc1)S(=O)(=O)c1cccc2ccccc21 ZINC000000572786 567936516 /nfs/dbraw/zinc/93/65/16/567936516.db2.gz PFZNYNSSZLGLOP-UHFFFAOYSA-N 0 0 297.379 3.665 50 0 CHAARN O=C(NCCc1cccs1)c1cc(Cl)ccc1F ZINC000017909846 567937620 /nfs/dbraw/zinc/93/76/20/567937620.db2.gz PQGSIPLKUAVKMP-UHFFFAOYSA-N 0 0 283.755 3.513 50 0 CHAARN CCCCOc1ccc(C(=O)Nc2cccc(O)c2)cc1 ZINC000002898924 567937852 /nfs/dbraw/zinc/93/78/52/567937852.db2.gz WPOSCVGOZNKCLX-UHFFFAOYSA-N 0 0 285.343 3.823 50 0 CHAARN CSc1ncccc1C(=O)N[C@H](C)c1ccccc1C ZINC000017963598 567937874 /nfs/dbraw/zinc/93/78/74/567937874.db2.gz MYCCEUKHEIYFIV-GFCCVEGCSA-N 0 0 286.400 3.603 50 0 CHAARN CCOc1cccc(NC(=O)Nc2ccc(F)cc2)c1 ZINC000016576599 567938423 /nfs/dbraw/zinc/93/84/23/567938423.db2.gz TVFJHGFDTWKZLP-UHFFFAOYSA-N 0 0 274.295 3.868 50 0 CHAARN C[C@H](NCc1nccn1C(F)F)c1cc2ccccc2o1 ZINC000189090567 567938570 /nfs/dbraw/zinc/93/85/70/567938570.db2.gz RAXFLKYQVIIYEH-JTQLQIEISA-N 0 0 291.301 3.875 50 0 CHAARN C[C@H](NC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000003158060 567938759 /nfs/dbraw/zinc/93/87/59/567938759.db2.gz WCPDOFVPTAXHQT-JTQLQIEISA-N 0 0 277.726 3.970 50 0 CHAARN O=C(Nc1cc(-c2ccco2)ccc1F)N1CCCC1 ZINC000098014276 567939031 /nfs/dbraw/zinc/93/90/31/567939031.db2.gz NFLIWWQBIMLOPF-UHFFFAOYSA-N 0 0 274.295 3.713 50 0 CHAARN CSc1ccc(-c2csc(NC(=O)C3CC3)n2)cc1 ZINC000011422533 567939885 /nfs/dbraw/zinc/93/98/85/567939885.db2.gz IHMRNEICEKFTOS-UHFFFAOYSA-N 0 0 290.413 3.881 50 0 CHAARN CCCN1C(=O)N(c2cccc(C)c2)[C@](C)(O)CC1(C)C ZINC000000500769 567940376 /nfs/dbraw/zinc/94/03/76/567940376.db2.gz FOTASIVLDPUVDI-QGZVFWFLSA-N 0 0 290.407 3.524 50 0 CHAARN Fc1ccc(CSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000018179270 567940512 /nfs/dbraw/zinc/94/05/12/567940512.db2.gz CYLWSPXUCSQBFE-UHFFFAOYSA-N 0 0 285.347 3.903 50 0 CHAARN O=C(Nc1ccc(F)cc1)NC1CCCCCC1 ZINC000018178896 567940626 /nfs/dbraw/zinc/94/06/26/567940626.db2.gz QJQWLVGFCLIVOI-UHFFFAOYSA-N 0 0 250.317 3.670 50 0 CHAARN CCCC[N@H+](C)Cc1cc(Br)ccc1OC ZINC000016662746 567944319 /nfs/dbraw/zinc/94/43/19/567944319.db2.gz MJNWVWXRMTZFIJ-UHFFFAOYSA-N 0 0 286.213 3.690 50 0 CHAARN CCc1nc2ccccc2n1CC(=O)Nc1ccccc1C ZINC000016504625 567944463 /nfs/dbraw/zinc/94/44/63/567944463.db2.gz JUDAOMMTTMUUHU-UHFFFAOYSA-N 0 0 293.370 3.546 50 0 CHAARN COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1F ZINC000051326163 567944847 /nfs/dbraw/zinc/94/48/47/567944847.db2.gz DMFXNRCJROYJBB-UHFFFAOYSA-N 0 0 296.248 3.757 50 0 CHAARN COc1ccccc1CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000019903148 567944976 /nfs/dbraw/zinc/94/49/76/567944976.db2.gz OCXJFPCMNYLICT-DOMZBBRYSA-N 0 0 271.360 3.701 50 0 CHAARN O=C(c1cc(Cl)ccc1F)N1CCc2ccccc2C1 ZINC000014876768 567945336 /nfs/dbraw/zinc/94/53/36/567945336.db2.gz PLJMUFTXISEVPM-UHFFFAOYSA-N 0 0 289.737 3.678 50 0 CHAARN CCc1nc(CC(=O)Nc2ccc(C)cc2)sc1C ZINC000048354787 567946441 /nfs/dbraw/zinc/94/64/41/567946441.db2.gz CCLTZUVJIBAZPA-UHFFFAOYSA-N 0 0 274.389 3.504 50 0 CHAARN CC(C)c1ccc([C@H]2CC(=O)Nc3c2cnn3C)cc1 ZINC000049544303 567946701 /nfs/dbraw/zinc/94/67/01/567946701.db2.gz ZEDBQRJLVQEKAF-CYBMUJFWSA-N 0 0 269.348 3.667 50 0 CHAARN CNc1nc2c(s1)[C@H](c1cc(F)ccc1F)CC(=O)N2 ZINC000049549687 567946742 /nfs/dbraw/zinc/94/67/42/567946742.db2.gz WMKHXSOCVOJALP-QMMMGPOBSA-N 0 0 295.314 3.587 50 0 CHAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000049497012 567946782 /nfs/dbraw/zinc/94/67/82/567946782.db2.gz DYXUCFBSRUIVBS-KCJUWKMLSA-N 0 0 272.373 3.768 50 0 CHAARN COc1cc(Cl)ccc1C(=O)NCc1cccc(C)c1 ZINC000049412540 567946846 /nfs/dbraw/zinc/94/68/46/567946846.db2.gz VARGAPVWNUMYQX-UHFFFAOYSA-N 0 0 289.762 3.587 50 0 CHAARN CCc1ccc(N[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000000796157 567948041 /nfs/dbraw/zinc/94/80/41/567948041.db2.gz VVOVRMSBPPBVBF-OAHLLOKOSA-N 0 0 253.301 3.530 50 0 CHAARN Cc1cc2n(n1)[C@@H](c1cccnc1)Nc1c(C)cccc1-2 ZINC000000818114 567948296 /nfs/dbraw/zinc/94/82/96/567948296.db2.gz XAHQOHCUTQZIRV-KRWDZBQOSA-N 0 0 276.343 3.534 50 0 CHAARN O=C(c1ccc2c(c1)C(=O)c1ccccc1-2)N1CCCCC1 ZINC000000813361 567948315 /nfs/dbraw/zinc/94/83/15/567948315.db2.gz GUWLCCIHKBSDCJ-UHFFFAOYSA-N 0 0 291.350 3.524 50 0 CHAARN FC(F)(F)c1c[nH]c(NCc2ccccc2Cl)n1 ZINC000225429684 567953255 /nfs/dbraw/zinc/95/32/55/567953255.db2.gz DOMPTXCMJHQALX-UHFFFAOYSA-N 0 0 275.661 3.694 50 0 CHAARN CC1=CC[C@@H](Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000225418150 567953432 /nfs/dbraw/zinc/95/34/32/567953432.db2.gz OXHSOAXZYBKBTI-CQSZACIVSA-N 0 0 270.376 3.724 50 0 CHAARN CCOc1ccccc1C(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC000225444088 567953778 /nfs/dbraw/zinc/95/37/78/567953778.db2.gz LMZLUXLMBQGPDP-AWEZNQCLSA-N 0 0 289.419 3.984 50 0 CHAARN CCCc1nsc(NC(=O)c2sccc2SC)n1 ZINC000225552489 567954005 /nfs/dbraw/zinc/95/40/05/567954005.db2.gz HHMXGIRJZGPYFZ-UHFFFAOYSA-N 0 0 299.446 3.526 50 0 CHAARN Cc1nc2ccccc2nc1NCCc1ccc(F)cc1 ZINC000029401638 567954504 /nfs/dbraw/zinc/95/45/04/567954504.db2.gz HEQAZBPJUNKHMG-UHFFFAOYSA-N 0 0 281.334 3.732 50 0 CHAARN C[C@@H]1CCC[C@@H](CC(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000225715723 567954620 /nfs/dbraw/zinc/95/46/20/567954620.db2.gz SGRHWWJAESTBIN-BZUAXINKSA-N 0 0 293.451 3.668 50 0 CHAARN CC(C)C[C@H](C)N(C)C(=O)CCc1c[nH]c2ccccc12 ZINC000030427529 567954949 /nfs/dbraw/zinc/95/49/49/567954949.db2.gz FKCWQWKANODGJF-AWEZNQCLSA-N 0 0 286.419 3.994 50 0 CHAARN CCCC(=O)Oc1cnc2c(Br)cccc2c1 ZINC000225758687 567955117 /nfs/dbraw/zinc/95/51/17/567955117.db2.gz RRCUMGBBNXKVPR-UHFFFAOYSA-N 0 0 294.148 3.703 50 0 CHAARN Clc1ncc(COc2cccc3cccnc32)s1 ZINC000001403573 567955387 /nfs/dbraw/zinc/95/53/87/567955387.db2.gz PNCSIQXVBNGSRL-UHFFFAOYSA-N 0 0 276.748 3.924 50 0 CHAARN Cc1ccc(OCCCC(=O)Oc2ccc(F)cc2)cc1 ZINC000001904131 570214478 /nfs/dbraw/zinc/21/44/78/570214478.db2.gz ORANKEFGEZFXAT-UHFFFAOYSA-N 0 0 288.318 3.899 50 0 CHAARN COc1ccc(O[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000000119575 570218568 /nfs/dbraw/zinc/21/85/68/570218568.db2.gz XLBXAIWDLCEZQW-CQSZACIVSA-N 0 0 299.370 3.718 50 0 CHAARN CCCCc1ccc(NC(=O)c2ccc(N)cc2)cc1 ZINC000011737170 570220072 /nfs/dbraw/zinc/22/00/72/570220072.db2.gz GCPNYYXFDSGAPA-UHFFFAOYSA-N 0 0 268.360 3.864 50 0 CHAARN CCCCNC(=O)c1cc(-c2ccccc2)oc1C ZINC000011667575 570220191 /nfs/dbraw/zinc/22/01/91/570220191.db2.gz SXQPLMBLKBLTNQ-UHFFFAOYSA-N 0 0 257.333 3.785 50 0 CHAARN CN(C)C(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000011841918 570220832 /nfs/dbraw/zinc/22/08/32/570220832.db2.gz FWSSUOQAZYQIAX-INIZCTEOSA-N 0 0 287.790 3.950 50 0 CHAARN Cc1nc(Nc2ccc(O)cc2)cc(-c2ccccc2)n1 ZINC000011907783 570221120 /nfs/dbraw/zinc/22/11/20/570221120.db2.gz QBWFFHFKTYADJQ-UHFFFAOYSA-N 0 0 277.327 3.901 50 0 CHAARN CCOc1ccc(NC(=O)c2ccc(OC)c(C)c2)cc1 ZINC000013945962 570222601 /nfs/dbraw/zinc/22/26/01/570222601.db2.gz VNQQMUBMQAWCHL-UHFFFAOYSA-N 0 0 285.343 3.655 50 0 CHAARN COC(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2)c(C)c1 ZINC000013955115 570222647 /nfs/dbraw/zinc/22/26/47/570222647.db2.gz WHASSARYNCYXQA-UHFFFAOYSA-N 0 0 297.354 3.651 50 0 CHAARN CCn1c(=S)[nH]nc1[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000017007847 570226742 /nfs/dbraw/zinc/22/67/42/570226742.db2.gz NKIRMRVLGUIHBU-LLVKDONJSA-N 0 0 277.393 3.717 50 0 CHAARN Cc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2C)n1 ZINC000024861810 570228206 /nfs/dbraw/zinc/22/82/06/570228206.db2.gz QTMXFIMQMCLZIT-UHFFFAOYSA-N 0 0 295.386 3.551 50 0 CHAARN COc1cccc2cc([C@H](C)NC(=O)C[C@@H]3C=CCC3)oc21 ZINC000025190475 570229805 /nfs/dbraw/zinc/22/98/05/570229805.db2.gz VYMOUJPIFNOMRL-QWHCGFSZSA-N 0 0 299.370 3.975 50 0 CHAARN COc1cccc2cc([C@H](C)NC(=O)C3CCCC3)oc21 ZINC000025139535 570229717 /nfs/dbraw/zinc/22/97/17/570229717.db2.gz NMVDLSNZUUIGAB-NSHDSACASA-N 0 0 287.359 3.809 50 0 CHAARN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CC=CCC1)CC3 ZINC000025542812 570230357 /nfs/dbraw/zinc/23/03/57/570230357.db2.gz DCNYDSMIKXNRDZ-AWEZNQCLSA-N 0 0 294.398 3.717 50 0 CHAARN Cc1cccc(C(=O)Nc2cccc(OC(F)(F)F)c2)n1 ZINC000025707528 570230850 /nfs/dbraw/zinc/23/08/50/570230850.db2.gz HGFSNRPLBZFAGC-UHFFFAOYSA-N 0 0 296.248 3.541 50 0 CHAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc3c(s2)CCC3)C1(C)C ZINC000025769312 570231355 /nfs/dbraw/zinc/23/13/55/570231355.db2.gz MAFXNZDMVZTCFP-GWCFXTLKSA-N 0 0 290.432 3.809 50 0 CHAARN Cc1ccc(-n2c(CNc3ccccc3)n[n-]c2=S)cc1 ZINC000026439351 570232006 /nfs/dbraw/zinc/23/20/06/570232006.db2.gz MCOLQQVYJOXLPD-UHFFFAOYSA-N 0 0 296.399 3.850 50 0 CHAARN O=C(CCCc1nc2ccccc2s1)NC1CCCC1 ZINC000026537427 570232530 /nfs/dbraw/zinc/23/25/30/570232530.db2.gz PQWHNGICXIAHAR-UHFFFAOYSA-N 0 0 288.416 3.678 50 0 CHAARN Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000037756086 570234381 /nfs/dbraw/zinc/23/43/81/570234381.db2.gz KPWYYXFLXMOIQM-UHFFFAOYSA-N 0 0 257.227 3.645 50 0 CHAARN C[C@H](NC(=O)Cn1ccc2ccccc21)c1ccccc1 ZINC000004599579 570235377 /nfs/dbraw/zinc/23/53/77/570235377.db2.gz YHVMQEZOVHBPSC-AWEZNQCLSA-N 0 0 278.355 3.519 50 0 CHAARN CCCCOc1ccc(C(=O)c2ccnc(C)c2)cc1 ZINC000045038563 570236259 /nfs/dbraw/zinc/23/62/59/570236259.db2.gz NQASOZJXGWMGOM-UHFFFAOYSA-N 0 0 269.344 3.800 50 0 CHAARN Cc1ccc(C(=O)c2c(Cl)cccc2Cl)cn1 ZINC000045029100 570236306 /nfs/dbraw/zinc/23/63/06/570236306.db2.gz IROJJHCYQHLOHZ-UHFFFAOYSA-N 0 0 266.127 3.928 50 0 CHAARN Cc1cc([C@H]2CCCN2Cc2cccc(Cl)c2)on1 ZINC000052007984 570238556 /nfs/dbraw/zinc/23/85/56/570238556.db2.gz HUHFXKFBZQSCAM-CQSZACIVSA-N 0 0 276.767 3.974 50 0 CHAARN CCN(C/C=C/c1ccccc1)C(=O)c1ncccc1C ZINC000055166161 570241055 /nfs/dbraw/zinc/24/10/55/570241055.db2.gz 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1120099109 /nfs/dbraw/zinc/09/91/09/1120099109.db2.gz MSXQRQHGKWQLBE-SCLBCKFNSA-N 0 0 268.404 3.682 50 0 CHAARN CC1(C)CC(=O)[C@]1(Cl)CC(Cl)(Cl)Cl ZINC000039245133 1120112276 /nfs/dbraw/zinc/11/22/76/1120112276.db2.gz GLLMIUIANSGZAY-SSDOTTSWSA-N 0 0 263.979 3.723 50 0 CHAARN CC(C)Oc1cncc(-c2ccc3c(c2)CCN3)c1 ZINC000212563896 1120126903 /nfs/dbraw/zinc/12/69/03/1120126903.db2.gz YIOIWKWCWLIIGU-UHFFFAOYSA-N 0 0 254.333 3.504 50 0 CHAARN c1ccc([C@@H]2OC[C@H]3Cc4ccccc4[C@@H]3O2)cc1 ZINC000003995516 1120270740 /nfs/dbraw/zinc/27/07/40/1120270740.db2.gz BNLIMZPQNDOKMS-DJIMGWMZSA-N 0 0 252.313 3.646 50 0 CHAARN CCCc1n[nH]c2c1C(=O)C[C@H](C[C@@H](C)SCC)C2 ZINC000004006557 1120290262 /nfs/dbraw/zinc/29/02/62/1120290262.db2.gz KCQABYFXRIFZCU-GHMZBOCLSA-N 0 0 280.437 3.639 50 0 CHAARN C[C@@H](NC(=O)NCc1ccccc1)c1ccccc1Cl ZINC000017115550 1120397533 /nfs/dbraw/zinc/39/75/33/1120397533.db2.gz DGOPZBVHHOQFHU-GFCCVEGCSA-N 0 0 288.778 3.900 50 0 CHAARN Cc1ccc2ccc3nc(-c4ccc(O)cc4)cn3c2n1 ZINC000585145580 1120534074 /nfs/dbraw/zinc/53/40/74/1120534074.db2.gz COWOZKIBUQTIRM-UHFFFAOYSA-N 0 0 275.311 3.564 50 0 CHAARN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1cccc(O)c1 ZINC000093322855 1120558772 /nfs/dbraw/zinc/55/87/72/1120558772.db2.gz DKKSVZVVGGQGJS-VCBZYWHSSA-N 0 0 297.398 3.743 50 0 CHAARN CCOCCCCNC(=O)Nc1cc(Cl)ccc1C ZINC000047346885 1120648917 /nfs/dbraw/zinc/64/89/17/1120648917.db2.gz XQLONDHPXYIGMS-UHFFFAOYSA-N 0 0 284.787 3.587 50 0 CHAARN Cc1ccc(CNc2cccc3n[nH]cc32)c(C)c1 ZINC000037783909 1120657530 /nfs/dbraw/zinc/65/75/30/1120657530.db2.gz DISZFIPFWCGCAN-UHFFFAOYSA-N 0 0 251.333 3.792 50 0 CHAARN CC(C)SCC(=O)c1ccccc1Br ZINC000037687618 1120780296 /nfs/dbraw/zinc/78/02/96/1120780296.db2.gz KAQZYCZXJUOUHM-UHFFFAOYSA-N 0 0 273.195 3.773 50 0 CHAARN CCN(Cc1c(C)noc1C)Cc1cccc(Cl)c1 ZINC000047958436 1120799348 /nfs/dbraw/zinc/79/93/48/1120799348.db2.gz MOZSFCQFTPLWSH-UHFFFAOYSA-N 0 0 278.783 3.967 50 0 CHAARN CC[C@@H](C)NC(=O)Nc1cccnc1Oc1ccccc1 ZINC000048342514 1120811239 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/nfs/dbraw/zinc/37/00/98/1129370098.db2.gz VHUHNAHAMOOFFT-LBPRGKRZSA-N 0 0 299.345 3.639 50 0 CHAARN Cc1nc2ccccc2nc1CSC1=N[C@H](C)CS1 ZINC000179613299 1129428407 /nfs/dbraw/zinc/42/84/07/1129428407.db2.gz JCNDUEMITJDOGS-SECBINFHSA-N 0 0 289.429 3.663 50 0 CHAARN CCC(=O)[C@@H]1CCCCN1C(=O)c1oc2ccccc2c1C ZINC000185822951 1129434615 /nfs/dbraw/zinc/43/46/15/1129434615.db2.gz LZAMLPJSPDCWCR-AWEZNQCLSA-N 0 0 299.370 3.715 50 0 CHAARN CSc1ccc([C@@H](C)NC(=O)/C=C\c2ccco2)cc1 ZINC000097073678 1129584138 /nfs/dbraw/zinc/58/41/38/1129584138.db2.gz TXSHIFMWAJMICI-MQGYJPLLSA-N 0 0 287.384 3.892 50 0 CHAARN CSc1ccc([C@H](C)NC(=O)/C=C\c2ccco2)cc1 ZINC000097073675 1129584194 /nfs/dbraw/zinc/58/41/94/1129584194.db2.gz TXSHIFMWAJMICI-UMAGTOLTSA-N 0 0 287.384 3.892 50 0 CHAARN CCn1c2ccccc2nc1[C@@H](C)NC(=O)/C=C(\C)C1CC1 ZINC000098055489 1129642979 /nfs/dbraw/zinc/64/29/79/1129642979.db2.gz UPGPOAJLPIJCGA-XZHRJIJLSA-N 0 0 297.402 3.590 50 0 CHAARN Cc1ccc(Cl)cc1NC(=O)/C=C\c1ccncc1 ZINC000098054491 1129643214 /nfs/dbraw/zinc/64/32/14/1129643214.db2.gz DTHPJTQLRYNIAA-HYXAFXHYSA-N 0 0 272.735 3.695 50 0 CHAARN Fc1ccc(NN=Cc2ccc(F)c(F)c2)c(F)c1 ZINC000254394047 1129691621 /nfs/dbraw/zinc/69/16/21/1129691621.db2.gz XYRXUXHXHRVYLP-UHFFFAOYSA-N 0 0 268.213 3.689 50 0 CHAARN COc1cccc(C=NNc2cccc(Cl)c2)c1 ZINC000254521300 1129700525 /nfs/dbraw/zinc/70/05/25/1129700525.db2.gz RYRFCJVGFRREEO-UHFFFAOYSA-N 0 0 260.724 3.795 50 0 CHAARN N#Cc1ccc(C=NNc2ccccc2Cl)cc1 ZINC000254590182 1129702420 /nfs/dbraw/zinc/70/24/20/1129702420.db2.gz WCKUZEUEDZBPPN-UHFFFAOYSA-N 0 0 255.708 3.658 50 0 CHAARN CCCOc1ccc(C(C)N=Nc2ccccn2)cc1 ZINC000254605845 1129702763 /nfs/dbraw/zinc/70/27/63/1129702763.db2.gz CIMLBPRXWQIZGU-UHFFFAOYSA-N 0 0 269.348 3.707 50 0 CHAARN O=C1OC(C2CCCCC2)=N/C1=C/c1ccccc1F ZINC000000283363 1129741411 /nfs/dbraw/zinc/74/14/11/1129741411.db2.gz WHSUYWHAKYYZCW-GXDHUFHOSA-N 0 0 273.307 3.702 50 0 CHAARN CC1(C)CN=C(Nc2nc3ccccc3s2)S1 ZINC000000528510 1129761549 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C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1[C@@H](O)CC2=O ZINC000254759072 189996281 /nfs/dbraw/zinc/99/62/81/189996281.db2.gz NDMWORHBIUVARH-HETZHPRYSA-N 0 0 290.447 3.959 50 0 CHAARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3C[C@H](O)CC[C@]3(C)[C@H]1[C@@H](O)C2 ZINC000257346346 190037462 /nfs/dbraw/zinc/03/74/62/190037462.db2.gz YOGRGJCUTNCLJZ-AJXUQBSVSA-N 0 0 292.463 3.751 50 0 CHAARN C[C@]12CCC[C@@H]1[C@@H]1[C@H](O)C[C@H]3CCCC[C@]3(C)[C@@H]1C[C@@H]2O ZINC000257346173 190037906 /nfs/dbraw/zinc/03/79/06/190037906.db2.gz TUAKQCBZMOACQA-UYKRBRGISA-N 0 0 292.463 3.751 50 0 CHAARN C[C@]12CC[C@H](O)[C@@H]1[C@@H]1CC[C@H]3CCCC[C@]3(C)[C@@H]1C[C@H]2O ZINC000257346188 190037921 /nfs/dbraw/zinc/03/79/21/190037921.db2.gz UMFJXEJVAKBCPM-GANAWGCLSA-N 0 0 292.463 3.751 50 0 CHAARN Fc1cc(Cl)cc(I)c1Cl ZINC000263624354 190070877 /nfs/dbraw/zinc/07/08/77/190070877.db2.gz PPVBPYNKAMWTGX-UHFFFAOYSA-N 0 0 290.890 3.737 50 0 CHAARN CCOC(=O)c1ccc(-c2ccc(OC)cc2)nc1Cl ZINC000263625221 190070973 /nfs/dbraw/zinc/07/09/73/190070973.db2.gz XURVYCRJFJQGSG-UHFFFAOYSA-N 0 0 291.734 3.587 50 0 CHAARN Fc1ccc(C(F)(F)F)c(F)c1Br ZINC000263624350 190071010 /nfs/dbraw/zinc/07/10/10/190071010.db2.gz POKCXYBEECQWEG-UHFFFAOYSA-N 0 0 260.987 3.746 50 0 CHAARN Nc1c(Cl)ccc(OC(F)(F)F)c1Br ZINC000263624534 190071121 /nfs/dbraw/zinc/07/11/21/190071121.db2.gz RIOKKCQSHAVXBH-UHFFFAOYSA-N 0 0 290.466 3.583 50 0 CHAARN c1nc2nc(-c3ccccc3)cc(Nc3ccccc3)n2n1 ZINC000000021552 169507071 /nfs/dbraw/zinc/50/70/71/169507071.db2.gz XLCADHFWQMINBW-UHFFFAOYSA-N 0 0 287.326 3.535 50 0 CHAARN O=C(Nc1cccc(F)c1)c1ccc(Br)cc1 ZINC000000029628 169508813 /nfs/dbraw/zinc/50/88/13/169508813.db2.gz DVMDXMXTDWNERV-UHFFFAOYSA-N 0 0 294.123 3.841 50 0 CHAARN CC(C)(C)c1ccc(C(=O)Nc2nccs2)cc1 ZINC000000041479 169514758 /nfs/dbraw/zinc/51/47/58/169514758.db2.gz ZJAQBIMUSPDQDL-UHFFFAOYSA-N 0 0 260.362 3.693 50 0 CHAARN O=C(/C=C/c1ccccc1Cl)Nc1cccc(O)c1 ZINC000000064180 169523594 /nfs/dbraw/zinc/52/35/94/169523594.db2.gz 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3.585 50 0 CHAARN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000101662 169536327 /nfs/dbraw/zinc/53/63/27/169536327.db2.gz HTBLZWXMQKKEOJ-UHFFFAOYSA-N 0 0 295.260 3.966 50 0 CHAARN Cc1noc(C)c1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000000111870 169539724 /nfs/dbraw/zinc/53/97/24/169539724.db2.gz GWRGWOPIIUGDPE-UHFFFAOYSA-N 0 0 284.237 3.563 50 0 CHAARN Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1 ZINC000000114228 169540587 /nfs/dbraw/zinc/54/05/87/169540587.db2.gz LTSQSXLNOUAASC-UHFFFAOYSA-N 0 0 287.725 3.914 50 0 CHAARN O=C1c2ccccc2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000000116506 169541349 /nfs/dbraw/zinc/54/13/49/169541349.db2.gz GKINDOWYHSQEOB-UHFFFAOYSA-N 0 0 292.121 3.794 50 0 CHAARN Cc1sc(N)c(C(=O)c2ccc(Cl)cc2)c1C ZINC000000120344 169543090 /nfs/dbraw/zinc/54/30/90/169543090.db2.gz FZCFEGHYRWGCEB-UHFFFAOYSA-N 0 0 265.765 3.832 50 0 CHAARN CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000128886 169546310 /nfs/dbraw/zinc/54/63/10/169546310.db2.gz XMKZELXFBZUGEY-UHFFFAOYSA-N 0 0 271.160 3.683 50 0 CHAARN CCCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000000123878 169544485 /nfs/dbraw/zinc/54/44/85/169544485.db2.gz QNRJFONKUAEAIA-UHFFFAOYSA-N 0 0 283.371 3.965 50 0 CHAARN CCOc1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000000132491 169548420 /nfs/dbraw/zinc/54/84/20/169548420.db2.gz AQXAIQHRLUPYLV-UHFFFAOYSA-N 0 0 298.386 3.753 50 0 aggregator CHAARN COc1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000000133069 169548459 /nfs/dbraw/zinc/54/84/59/169548459.db2.gz IEJMCOFQAKRRAV-UHFFFAOYSA-N 0 0 267.284 3.694 50 0 CHAARN Cc1ccc(OCC(=O)Oc2c(C)cccc2C)cc1 ZINC000000129508 169546934 /nfs/dbraw/zinc/54/69/34/169546934.db2.gz TUKPRJQXYVLBQZ-UHFFFAOYSA-N 0 0 270.328 3.596 50 0 CHAARN Cc1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1F ZINC000000139098 169550789 /nfs/dbraw/zinc/55/07/89/169550789.db2.gz NLYMFNIJWHZOLM-UHFFFAOYSA-N 0 0 298.766 3.761 50 0 CHAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000000142068 169552123 /nfs/dbraw/zinc/55/21/23/169552123.db2.gz YKQAWQITONYURX-UHFFFAOYSA-N 0 0 297.251 3.775 50 0 CHAARN Cc1ccc(OCC(=O)Nc2ccc(OC(C)C)cc2)cc1 ZINC000000144448 169552831 /nfs/dbraw/zinc/55/28/31/169552831.db2.gz OMQTVICDHRXILY-UHFFFAOYSA-N 0 0 299.370 3.800 50 0 CHAARN Cc1nc(-c2ccc(NC(=O)c3ccco3)cc2)cs1 ZINC000000146840 169553886 /nfs/dbraw/zinc/55/38/86/169553886.db2.gz RAHITDISHTVNAA-UHFFFAOYSA-N 0 0 284.340 3.964 50 0 CHAARN CC(C)(C)NNC(=S)Nc1cc(Cl)ccc1Cl ZINC000000150427 169555298 /nfs/dbraw/zinc/55/52/98/169555298.db2.gz JPXNYCQQDIORIS-UHFFFAOYSA-N 0 0 292.235 3.583 50 0 CHAARN FC(F)(F)c1ccc(SCc2ccco2)nc1 ZINC000000161201 169558761 /nfs/dbraw/zinc/55/87/61/169558761.db2.gz SEZXRVIMNNKJQT-UHFFFAOYSA-N 0 0 259.252 3.986 50 0 CHAARN COc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000000177769 169565377 /nfs/dbraw/zinc/56/53/77/169565377.db2.gz CBNDGRJUTNDINR-QGZVFWFLSA-N 0 0 295.382 3.715 50 0 CHAARN O=C1CS[C@@H](c2cccnc2)N1c1cccc(Cl)c1 ZINC000000180021 169566062 /nfs/dbraw/zinc/56/60/62/169566062.db2.gz YXBJKWGEKWIELA-AWEZNQCLSA-N 0 0 290.775 3.514 50 0 CHAARN COc1cc(-c2nc3cc(C)ccc3o2)cc(OC)c1OC ZINC000000187405 169568353 /nfs/dbraw/zinc/56/83/53/169568353.db2.gz DSDOODVQCBKOSR-UHFFFAOYSA-N 0 0 299.326 3.829 50 0 CHAARN O=C(Nc1ccc(Cl)cc1)c1cc(=O)c2ccccc2o1 ZINC000000189187 169569202 /nfs/dbraw/zinc/56/92/02/169569202.db2.gz HJPYOWXYFBGBTP-UHFFFAOYSA-N 0 0 299.713 3.699 50 0 CHAARN c1ccc(-c2noc(-c3cccc4ccccc43)n2)nc1 ZINC000000218457 169578909 /nfs/dbraw/zinc/57/89/09/169578909.db2.gz YGUDIHOQAIXIFH-UHFFFAOYSA-N 0 0 273.295 3.952 50 0 CHAARN CC1=CC[C@H](c2nnco2)[C@@H](c2ccc(F)cc2)C1 ZINC000000209420 169575458 /nfs/dbraw/zinc/57/54/58/169575458.db2.gz WSBISMJIGTYEBD-UONOGXRCSA-N 0 0 258.296 3.816 50 0 CHAARN Cc1ccc2c(c1C)OC(=O)C[C@H]2c1ccccc1 ZINC000000228125 169580556 /nfs/dbraw/zinc/58/05/56/169580556.db2.gz OCOQOKDTOOUSDB-HNNXBMFYSA-N 0 0 252.313 3.744 50 0 biogenic CHAARN Brc1ccc(C2=Nc3ccccc3OC2)cc1 ZINC000000284649 169597003 /nfs/dbraw/zinc/59/70/03/169597003.db2.gz XQQPQMTYVGMIGW-UHFFFAOYSA-N 0 0 288.144 3.962 50 0 CHAARN CCOc1ccc2oc(-c3ccccc3)c(C(N)=O)c2c1 ZINC000000307553 169604110 /nfs/dbraw/zinc/60/41/10/169604110.db2.gz WYTWOWKAYNGYPI-UHFFFAOYSA-N 0 0 281.311 3.597 50 0 CHAARN Clc1ccc(-c2noc(Cc3ccccc3)n2)cc1 ZINC000000317291 169606826 /nfs/dbraw/zinc/60/68/26/169606826.db2.gz OWQPNPKLYSDTBI-UHFFFAOYSA-N 0 0 270.719 3.981 50 0 CHAARN CC1(C)C(=O)O[C@H](c2ccc(Cl)cc2)C(C)(C)C1=O ZINC000000318181 169607014 /nfs/dbraw/zinc/60/70/14/169607014.db2.gz BKAOTZRZDQGSEG-LLVKDONJSA-N 0 0 280.751 3.559 50 0 CHAARN FC(F)n1c2ccccc2n(C(F)F)c1=S ZINC000000314534 169606203 /nfs/dbraw/zinc/60/62/03/169606203.db2.gz QTVRSDJOFRROLF-UHFFFAOYSA-N 0 0 250.220 3.962 50 0 CHAARN C[C@@]12CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]1CC(=O)O2 ZINC000000354045 169615597 /nfs/dbraw/zinc/61/55/97/169615597.db2.gz IMKJGXCIJJXALX-GUYJKWIASA-N 0 0 250.382 3.935 50 0 CHAARN CSc1cccc(NC(=O)Cc2cccs2)c1 ZINC000000363722 169618313 /nfs/dbraw/zinc/61/83/13/169618313.db2.gz CSTJCWHGYKZRBX-UHFFFAOYSA-N 0 0 263.387 3.651 50 0 CHAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 ZINC000000364833 169619081 /nfs/dbraw/zinc/61/90/81/169619081.db2.gz SZNRIJREISNQLD-CQSZACIVSA-N 0 0 299.370 3.718 50 0 CHAARN O=c1oc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000000368338 169620435 /nfs/dbraw/zinc/62/04/35/169620435.db2.gz DUVLKJJCHBNAOR-UHFFFAOYSA-N 0 0 294.137 3.950 50 0 CHAARN COc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 ZINC000000385068 169625844 /nfs/dbraw/zinc/62/58/44/169625844.db2.gz RKIHOCCTUBIFNL-UHFFFAOYSA-N 0 0 255.317 3.564 50 0 CHAARN COc1ccc(C)cc1NC(=O)OC1CCCCC1 ZINC000000398739 169630654 /nfs/dbraw/zinc/63/06/54/169630654.db2.gz OPYZNENVWRZHDR-UHFFFAOYSA-N 0 0 263.337 3.885 50 0 CHAARN Cc1ccc(O)c(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000000406738 169632847 /nfs/dbraw/zinc/63/28/47/169632847.db2.gz HTJFIXZCPBNTDV-UHFFFAOYSA-N 0 0 276.723 3.998 50 0 CHAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc2c(c1)CCC2 ZINC000000414164 169634389 /nfs/dbraw/zinc/63/43/89/169634389.db2.gz QBAOOZJVTJFNTH-UHFFFAOYSA-N 0 0 290.366 3.838 50 0 biogenic CHAARN NC(=O)N[C@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000000438282 169640534 /nfs/dbraw/zinc/64/05/34/169640534.db2.gz GICGNVGABFUVBH-CYBMUJFWSA-N 0 0 295.169 3.751 50 0 CHAARN COc1ccccc1/C=C/C(=O)Nc1ccccc1C ZINC000000435599 169639772 /nfs/dbraw/zinc/63/97/72/169639772.db2.gz MIZBJBJUSBCNBP-VAWYXSNFSA-N 0 0 267.328 3.656 50 0 CHAARN CCCC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000000444528 169642197 /nfs/dbraw/zinc/64/21/97/169642197.db2.gz ULNRTGWFDHSYFT-UHFFFAOYSA-N 0 0 296.370 3.986 50 0 CHAARN Cc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)nc1 ZINC000000448453 169643422 /nfs/dbraw/zinc/64/34/22/169643422.db2.gz LPWXUONYIRUZDS-UHFFFAOYSA-N 0 0 282.677 3.574 50 0 CHAARN Cc1c2cc(C)ccc2oc1C(=O)NCc1ccccc1 ZINC000000449264 169643574 /nfs/dbraw/zinc/64/35/74/169643574.db2.gz QETYLMUXWDYCTD-UHFFFAOYSA-N 0 0 279.339 3.980 50 0 CHAARN CCN(CC)c1nc(-c2cccnc2)nc2ccccc21 ZINC000000439251 169640937 /nfs/dbraw/zinc/64/09/37/169640937.db2.gz TZYUOZOYQMDGFR-UHFFFAOYSA-N 0 0 278.359 3.538 50 0 CHAARN CCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000000453147 169644456 /nfs/dbraw/zinc/64/44/56/169644456.db2.gz AYCXBSRFBPSGAB-CYBMUJFWSA-N 0 0 269.344 3.655 50 0 CHAARN CCC[C@@H](C)C(=O)Nc1ccc(Br)cc1F ZINC000000457008 169645411 /nfs/dbraw/zinc/64/54/11/169645411.db2.gz LYOIORWCXMJPHK-MRVPVSSYSA-N 0 0 288.160 3.963 50 0 CHAARN COc1ccccc1NC(=O)CCSc1ccccc1 ZINC000000460421 169646595 /nfs/dbraw/zinc/64/65/95/169646595.db2.gz HNWRHNQWZIYGMD-UHFFFAOYSA-N 0 0 287.384 3.816 50 0 CHAARN COC(=O)c1ccc(COc2ccc3c(c2)CCC3)cc1 ZINC000000463991 169647745 /nfs/dbraw/zinc/64/77/45/169647745.db2.gz OFXUNJOLPKFEMR-UHFFFAOYSA-N 0 0 282.339 3.541 50 0 CHAARN Cc1ccc(SCCC(=O)NCc2ccccc2)cc1 ZINC000000469778 169648832 /nfs/dbraw/zinc/64/88/32/169648832.db2.gz SOCDPXPUYAHSMH-UHFFFAOYSA-N 0 0 285.412 3.794 50 0 CHAARN CCOC(=O)c1cc2cc3cc(OC)ccc3nc2s1 ZINC000000469305 169648917 /nfs/dbraw/zinc/64/89/17/169648917.db2.gz JGYRHLTXWVCZNR-UHFFFAOYSA-N 0 0 287.340 3.635 50 0 CHAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)NC1CCCCC1 ZINC000012946700 184533729 /nfs/dbraw/zinc/53/37/29/184533729.db2.gz YTSNNAXXDZOYGH-UHFFFAOYSA-N 0 0 299.414 3.587 50 0 CHAARN CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC000000480584 169652307 /nfs/dbraw/zinc/65/23/07/169652307.db2.gz HBSKJUIYDCEXCH-QGZVFWFLSA-N 0 0 296.345 3.913 50 0 CHAARN COc1ccc(C(=O)N([C@@H](C)c2ccco2)C2CC2)cc1 ZINC000065828265 184569948 /nfs/dbraw/zinc/56/99/48/184569948.db2.gz UWYRIIZXBNFASE-LBPRGKRZSA-N 0 0 285.343 3.654 50 0 CHAARN O=C1C[C@@H](c2ccccc2Cl)c2ccc(O)cc2N1 ZINC000066089323 184570659 /nfs/dbraw/zinc/57/06/59/184570659.db2.gz MFVFAMJUAJMUMQ-LBPRGKRZSA-N 0 0 273.719 3.520 50 0 CHAARN c1coc(CCn2ccnc2-c2ccnc3ccccc32)c1 ZINC000071776589 184576447 /nfs/dbraw/zinc/57/64/47/184576447.db2.gz BJJAWXFUQGNSJT-UHFFFAOYSA-N 0 0 289.338 3.934 50 0 CHAARN C[C@H]1CNc2ccccc2N(Cc2ccccc2)C1 ZINC000071790282 184577614 /nfs/dbraw/zinc/57/76/14/184577614.db2.gz OYAURBRKUKRSEP-AWEZNQCLSA-N 0 0 252.361 3.755 50 0 CHAARN CCOc1ccc(-c2cc3cccc(OC)c3oc2=O)cc1 ZINC000000490155 169655308 /nfs/dbraw/zinc/65/53/08/169655308.db2.gz MIDQBTUJMPLMQP-UHFFFAOYSA-N 0 0 296.322 3.867 50 0 biogenic CHAARN C[C@H]1CCCN(C(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000044950118 184562221 /nfs/dbraw/zinc/56/22/21/184562221.db2.gz OAXLSZYGIHEDFT-JTQLQIEISA-N 0 0 284.306 3.552 50 0 CHAARN Cc1ccc2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000000519256 169660913 /nfs/dbraw/zinc/66/09/13/169660913.db2.gz JJSKGBJFOHYZSU-UHFFFAOYSA-N 0 0 294.306 3.540 50 0 biogenic CHAARN CO[C@H](C)c1nc(-c2ccc(NC(C)=O)cc2F)cs1 ZINC000096455540 533117901 /nfs/dbraw/zinc/11/79/01/533117901.db2.gz ZHMATYWEIDWCHQ-MRVPVSSYSA-N 0 0 294.351 3.615 50 0 CHAARN CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000072221681 256706711 /nfs/dbraw/zinc/70/67/11/256706711.db2.gz DZOKOTBLPQRNGP-LLVKDONJSA-N 0 0 253.367 3.820 50 0 CHAARN CC[C@@](C)(NC(=O)CCc1ccsc1)c1nccs1 ZINC000096416601 256764306 /nfs/dbraw/zinc/76/43/06/256764306.db2.gz LAPOVOPVJLUAMX-CQSZACIVSA-N 0 0 294.445 3.579 50 0 CHAARN O=C(Nc1ccccn1)C1(c2ccc(Cl)cc2)CCC1 ZINC000067183643 256853518 /nfs/dbraw/zinc/85/35/18/256853518.db2.gz QGVZVFPJBJOKFC-UHFFFAOYSA-N 0 0 286.762 3.795 50 0 CHAARN CC(C)[C@@H]1C=CCN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000096164328 256885697 /nfs/dbraw/zinc/88/56/97/256885697.db2.gz CMTLXIYVIBBRHS-ZDUSSCGKSA-N 0 0 282.746 3.907 50 0 CHAARN CCn1nc(C)c(-c2cccc3ncccc32)c1C ZINC000096166929 256887110 /nfs/dbraw/zinc/88/71/10/256887110.db2.gz FJWZYKRLKLLIGW-UHFFFAOYSA-N 0 0 251.333 3.735 50 0 CHAARN CCn1c2ccc(C(C)(C)C)cc2c2nnc(=S)[nH]c21 ZINC000096319320 256889411 /nfs/dbraw/zinc/88/94/11/256889411.db2.gz IFRTZSZXKNHYKM-UHFFFAOYSA-N 0 0 286.404 3.586 50 0 CHAARN CN(C)c1ccc(NC(=O)CC2CCCCC2)cc1 ZINC000000858554 169681187 /nfs/dbraw/zinc/68/11/87/169681187.db2.gz DFHCAUHBVJASIA-UHFFFAOYSA-N 0 0 260.381 3.662 50 0 CHAARN CCc1nc2sc3c(c2c(SC)n1)CC(C)(C)OC3 ZINC000000547012 169665967 /nfs/dbraw/zinc/66/59/67/169665967.db2.gz KXSRIAJWZAMRCJ-UHFFFAOYSA-N 0 0 294.445 3.827 50 0 CHAARN CCC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1C ZINC000000550646 169666801 /nfs/dbraw/zinc/66/68/01/169666801.db2.gz YLGYFAVEOJDSHG-UHFFFAOYSA-N 0 0 279.343 3.682 50 0 CHAARN Cc1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1C ZINC000000580708 169672639 /nfs/dbraw/zinc/67/26/39/169672639.db2.gz DYQCSOHWEVSSAJ-UHFFFAOYSA-N 0 0 291.297 3.599 50 0 CHAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000000617227 169675815 /nfs/dbraw/zinc/67/58/15/169675815.db2.gz QCGBVIFTJXAROI-CYBMUJFWSA-N 0 0 290.750 3.531 50 0 CHAARN COc1ccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)cc1 ZINC000000817678 169680556 /nfs/dbraw/zinc/68/05/56/169680556.db2.gz OVXJOFFDUNQEBM-GOSISDBHSA-N 0 0 291.354 3.840 50 0 CHAARN CC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000001002373 169685360 /nfs/dbraw/zinc/68/53/60/169685360.db2.gz BJGJQBVLSKEQMU-OAHLLOKOSA-N 0 0 299.370 3.585 50 0 CHAARN Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)cs1 ZINC000001054446 169688027 /nfs/dbraw/zinc/68/80/27/169688027.db2.gz POCZFCNKSNMGGC-UHFFFAOYSA-N 0 0 278.402 3.644 50 0 CHAARN COc1ccc(-c2cc3ccccn3c2C)cc1OC ZINC000001152754 169690784 /nfs/dbraw/zinc/69/07/84/169690784.db2.gz WHEWDHYQABBIKI-UHFFFAOYSA-N 0 0 267.328 3.932 50 0 CHAARN O=C(Nc1ccccc1Cl)c1ccc2nsnc2c1 ZINC000000871602 169681656 /nfs/dbraw/zinc/68/16/56/169681656.db2.gz JTKVGPTZSWJNKZ-UHFFFAOYSA-N 0 0 289.747 3.597 50 0 CHAARN COc1ccc2c(c1)CCC[C@H]2Nc1nnc(C2CCC2)o1 ZINC000095374722 184956737 /nfs/dbraw/zinc/95/67/37/184956737.db2.gz STVGJZHPDSVTGI-OAHLLOKOSA-N 0 0 299.374 3.835 50 0 CHAARN CCCOc1cc(CNC(=O)Nc2ccc(C)cc2)ccn1 ZINC000095462277 184993599 /nfs/dbraw/zinc/99/35/99/184993599.db2.gz DLRXBEIJUMFXBD-UHFFFAOYSA-N 0 0 299.374 3.501 50 0 CHAARN CCc1ocnc1C(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000095468460 184995044 /nfs/dbraw/zinc/99/50/44/184995044.db2.gz NEGSKHZIHVKLPD-NKSUMMKUSA-N 0 0 296.370 3.555 50 0 CHAARN Cc1cc(C)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000001406951 169703555 /nfs/dbraw/zinc/70/35/55/169703555.db2.gz ZYLGDSAPSSMRRT-UHFFFAOYSA-N 0 0 255.346 3.613 50 0 CHAARN Oc1cccc(-c2csc(NNc3ccccc3)n2)c1 ZINC000001415084 169703769 /nfs/dbraw/zinc/70/37/69/169703769.db2.gz FORUKQGSYSRYJH-UHFFFAOYSA-N 0 0 283.356 3.955 50 0 CHAARN Cc1c(F)cccc1NC(=O)CCc1ccccc1F ZINC000001426307 169704152 /nfs/dbraw/zinc/70/41/52/169704152.db2.gz LJEHXCDVXALAHE-UHFFFAOYSA-N 0 0 275.298 3.845 50 0 CHAARN CCSc1nnc(-c2ccccc2SC)o1 ZINC000001397952 169701694 /nfs/dbraw/zinc/70/16/94/169701694.db2.gz RBSHUOWQMVXHMT-UHFFFAOYSA-N 0 0 252.364 3.571 50 0 CHAARN CC(=O)N1CCCn2c3ccc(C)cc3c3c2[C@@H]1CCC3 ZINC000001428036 169704547 /nfs/dbraw/zinc/70/45/47/169704547.db2.gz WXILJSOOQUCTSI-KRWDZBQOSA-N 0 0 282.387 3.579 50 0 CHAARN FC(F)(F)c1ccc(-c2noc(-c3cccnc3)n2)cc1 ZINC000001432787 169705798 /nfs/dbraw/zinc/70/57/98/169705798.db2.gz XEJQXKPZLXQORW-UHFFFAOYSA-N 0 0 291.232 3.817 50 0 CHAARN CSCCCC(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000096456526 533539396 /nfs/dbraw/zinc/53/93/96/533539396.db2.gz OFKZHWOWFLTLSN-UHFFFAOYSA-N 0 0 290.388 3.787 50 0 CHAARN c1ccc2c(c1)c(N1CCCCC1)nnc2N1CCCCC1 ZINC000000090221 134518884 /nfs/dbraw/zinc/51/88/84/134518884.db2.gz YLRRRHGLFHADEI-UHFFFAOYSA-N 0 0 296.418 3.610 50 0 CHAARN C=C1c2ccc(OC)cc2NC(=O)N1c1ccccc1 ZINC000000477482 134527565 /nfs/dbraw/zinc/52/75/65/134527565.db2.gz IWJAZTXZWOLFNR-UHFFFAOYSA-N 0 0 266.300 3.718 50 0 CHAARN Cc1ccc(NC(=O)CN2CCSc3ccccc32)cc1 ZINC000007493296 134665575 /nfs/dbraw/zinc/66/55/75/134665575.db2.gz RYTPAONLKYSTTC-UHFFFAOYSA-N 0 0 298.411 3.546 50 0 CHAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)NC1CCCC1 ZINC000013328254 134686463 /nfs/dbraw/zinc/68/64/63/134686463.db2.gz KBDBTECHXBVNKX-NSHDSACASA-N 0 0 276.355 3.619 50 0 CHAARN CCCCOC(=O)c1cccc2c1-c1ccccc1C2=O ZINC000001705607 169746159 /nfs/dbraw/zinc/74/61/59/169746159.db2.gz OXCDIAMDERPRRV-UHFFFAOYSA-N 0 0 280.323 3.855 50 0 CHAARN Cc1cccc(OCCCC(=O)NC2CCCCC2)c1 ZINC000001773834 169756461 /nfs/dbraw/zinc/75/64/61/169756461.db2.gz UEXZKOUOHJDKCH-UHFFFAOYSA-N 0 0 275.392 3.603 50 0 CHAARN O=C(CCCOc1ccccc1)Nc1ccc(F)cc1 ZINC000001779459 169756922 /nfs/dbraw/zinc/75/69/22/169756922.db2.gz HOEWJMSTQZXNNB-UHFFFAOYSA-N 0 0 273.307 3.623 50 0 CHAARN CCCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002171028 169779184 /nfs/dbraw/zinc/77/91/84/169779184.db2.gz WMFQAMIRKIKODI-UHFFFAOYSA-N 0 0 261.152 3.915 50 0 CHAARN CC(C)OC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002205144 169781255 /nfs/dbraw/zinc/78/12/55/169781255.db2.gz DXCNXVNTVMLLRF-AWEZNQCLSA-N 0 0 283.371 3.580 50 0 CHAARN CCCc1nc2c3c4c(sc3ncn2n1)CCCCC4 ZINC000002230521 169782398 /nfs/dbraw/zinc/78/23/98/169782398.db2.gz MFUPDYWVHQBPQP-UHFFFAOYSA-N 0 0 286.404 3.560 50 0 CHAARN CCOP(=O)(Cc1ccc(C(=O)CC)o1)OCC ZINC000002295067 169784561 /nfs/dbraw/zinc/78/45/61/169784561.db2.gz ZKIDIYAIQNHGFJ-UHFFFAOYSA-N 0 0 274.253 3.638 50 0 CHAARN Cc1nc2c3ccccc3oc2c(NCCCOC(C)C)n1 ZINC000002435362 169791997 /nfs/dbraw/zinc/79/19/97/169791997.db2.gz FYEWEGWPPRWTOM-UHFFFAOYSA-N 0 0 299.374 3.911 50 0 CHAARN COc1cccc(CCC(=O)c2ccccc2F)c1 ZINC000002516521 169799404 /nfs/dbraw/zinc/79/94/04/169799404.db2.gz PKGVXZVWEMPLIH-UHFFFAOYSA-N 0 0 258.292 3.650 50 0 CHAARN Cc1ccccc1N1C(=O)S[C@@H](Nc2ccccc2)C1=O ZINC000002706927 169821694 /nfs/dbraw/zinc/82/16/94/169821694.db2.gz JXBGOWBDRGWOJP-CQSZACIVSA-N 0 0 298.367 3.633 50 0 CHAARN CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1 ZINC000002744481 169824820 /nfs/dbraw/zinc/82/48/20/169824820.db2.gz BARIIFZXUOIJGU-CYBMUJFWSA-N 0 0 251.757 3.745 50 0 CHAARN Cc1ccc(C)c(OCC(=O)Nc2cc(F)ccc2F)c1 ZINC000002762946 169826701 /nfs/dbraw/zinc/82/67/01/169826701.db2.gz MOXCQTFTCLITGE-UHFFFAOYSA-N 0 0 291.297 3.599 50 0 CHAARN CCCC[C@@H](CC)CNC(=O)c1c(OC)cccc1OC ZINC000002989116 169847362 /nfs/dbraw/zinc/84/73/62/169847362.db2.gz ADGTWRVGUNZDHF-CYBMUJFWSA-N 0 0 293.407 3.650 50 0 biogenic CHAARN O[C@@H](C(Cl)=C(Cl)Cl)C(Cl)(Cl)Cl ZINC000003070141 169852079 /nfs/dbraw/zinc/85/20/79/169852079.db2.gz HCCOSYMHODKUHR-REOHCLBHSA-N 0 0 278.777 3.603 50 0 CHAARN O=C(CSc1nc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000003076083 169853109 /nfs/dbraw/zinc/85/31/09/169853109.db2.gz RUYDNBJGEQMPJK-UHFFFAOYSA-N 0 0 286.331 3.677 50 0 CHAARN Cc1sc(-c2cccnc2)nc1OC(=O)c1ccccc1 ZINC000003116630 169857478 /nfs/dbraw/zinc/85/74/78/169857478.db2.gz QOGSIEOOAZJMGE-UHFFFAOYSA-N 0 0 296.351 3.733 50 0 CHAARN CC(C)N(C(=O)c1ccc(Br)cc1)C(C)C ZINC000003195777 169867447 /nfs/dbraw/zinc/86/74/47/169867447.db2.gz ZRHGXOKPARSBQA-UHFFFAOYSA-N 0 0 284.197 3.708 50 0 CHAARN COc1ccc(C(=O)CNc2ccc(Cl)cc2)cc1 ZINC000003273036 169874399 /nfs/dbraw/zinc/87/43/99/169874399.db2.gz ZORUUSNHSPJSKB-UHFFFAOYSA-N 0 0 275.735 3.643 50 0 CHAARN CC(C)(C)c1ccc(OCc2nnc3n2CCCCC3)cc1 ZINC000003299645 169876413 /nfs/dbraw/zinc/87/64/13/169876413.db2.gz FQXJSZSGMCWGJA-UHFFFAOYSA-N 0 0 299.418 3.881 50 0 CHAARN O=C(Nc1nc2c(cc(F)c(F)c2F)s1)c1ccco1 ZINC000003329975 169879665 /nfs/dbraw/zinc/87/96/65/169879665.db2.gz ZKQCCNKYYIXCEG-UHFFFAOYSA-N 0 0 298.245 3.559 50 0 CHAARN CC(C)C[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000003366303 169883330 /nfs/dbraw/zinc/88/33/30/169883330.db2.gz TXXJXDBUTOLODT-JTQLQIEISA-N 0 0 273.298 3.870 50 0 CHAARN O=C(Cc1ccc(Cl)cc1)Nc1ccccc1F ZINC000003410634 169885803 /nfs/dbraw/zinc/88/58/03/169885803.db2.gz OLKNSBCSGGZZRW-UHFFFAOYSA-N 0 0 263.699 3.660 50 0 CHAARN COc1ccc(C)cc1NC(=O)C1(c2ccccc2)CC1 ZINC000003453731 169889588 /nfs/dbraw/zinc/88/95/88/169889588.db2.gz CDHXKLJSZNAANL-UHFFFAOYSA-N 0 0 281.355 3.674 50 0 CHAARN CCOc1ccccc1NC(=O)Cc1ccccc1Cl ZINC000003472513 169890796 /nfs/dbraw/zinc/89/07/96/169890796.db2.gz HQYIBYGZLZPKCD-UHFFFAOYSA-N 0 0 289.762 3.920 50 0 CHAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(F)cc2F)c1 ZINC000003524156 169894292 /nfs/dbraw/zinc/89/42/92/169894292.db2.gz KAHZSDSIGIQWLK-LLVKDONJSA-N 0 0 291.297 3.679 50 0 CHAARN c1cc2c(ncnc2OCc2nc3ccccc3s2)s1 ZINC000003598950 169900351 /nfs/dbraw/zinc/90/03/51/169900351.db2.gz TZDYMPCEIGGUDY-UHFFFAOYSA-N 0 0 299.380 3.880 50 0 CHAARN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 ZINC000003607871 169901694 /nfs/dbraw/zinc/90/16/94/169901694.db2.gz WXKSNXKBRGGTDC-JTQLQIEISA-N 0 0 293.725 3.885 50 0 CHAARN CC(C)NC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000003899956 169922768 /nfs/dbraw/zinc/92/27/68/169922768.db2.gz UWFRPVQVNOZRCN-UHFFFAOYSA-N 0 0 280.327 3.633 50 0 CHAARN COc1cccc(CO[C@@H]2CCOc3ccccc32)c1 ZINC000004107025 169932708 /nfs/dbraw/zinc/93/27/08/169932708.db2.gz BBJHNHCDPSEIOJ-QGZVFWFLSA-N 0 0 270.328 3.736 50 0 CHAARN O=C(NCCCCc1ccccc1)c1cccc(F)c1 ZINC000004113229 169934010 /nfs/dbraw/zinc/93/40/10/169934010.db2.gz GWCSOMQUHPTPMN-UHFFFAOYSA-N 0 0 271.335 3.578 50 0 biogenic CHAARN Cc1scc(C(=O)Nc2ccon2)c1-c1ccccc1 ZINC000004195962 169943126 /nfs/dbraw/zinc/94/31/26/169943126.db2.gz GFFALCSDYJBCIZ-UHFFFAOYSA-N 0 0 284.340 3.964 50 0 CHAARN Nc1c(-c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000004290742 169953852 /nfs/dbraw/zinc/95/38/52/169953852.db2.gz WOYVLOFPDMZNNW-UHFFFAOYSA-N 0 0 269.735 3.775 50 0 CHAARN CCn1nc(-c2ccccc2)c2nc3ccccc3nc21 ZINC000004296026 169955127 /nfs/dbraw/zinc/95/51/27/169955127.db2.gz WKXGDKXWDPBUFH-UHFFFAOYSA-N 0 0 274.327 3.666 50 0 CHAARN Cc1cc(C)nc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000004357561 169961301 /nfs/dbraw/zinc/96/13/01/169961301.db2.gz YRYSXHINXHFDHZ-UHFFFAOYSA-N 0 0 284.403 3.853 50 0 CHAARN COc1cccc(C(=O)Nc2ccccc2F)c1Cl ZINC000004542868 169981442 /nfs/dbraw/zinc/98/14/42/169981442.db2.gz RSYAUIHXLOPPLC-UHFFFAOYSA-N 0 0 279.698 3.740 50 0 CHAARN Cc1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1 ZINC000004611446 169989444 /nfs/dbraw/zinc/98/94/44/169989444.db2.gz PIUPRVXUNQZHQW-UHFFFAOYSA-N 0 0 253.345 3.542 50 0 CHAARN Cc1cc(O)ccc1NC(=O)c1cccc(Cl)c1 ZINC000004666269 169995439 /nfs/dbraw/zinc/99/54/39/169995439.db2.gz UIAHHWUILLCNDI-UHFFFAOYSA-N 0 0 261.708 3.606 50 0 CHAARN C[C@H](CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000004696318 170000288 /nfs/dbraw/zinc/00/02/88/170000288.db2.gz FMCHFLYTLWZHQN-GFCCVEGCSA-N 0 0 283.327 3.548 50 0 CHAARN O=C(CSCc1cccc(Cl)c1)Nc1cccnc1 ZINC000004701865 170001531 /nfs/dbraw/zinc/00/15/31/170001531.db2.gz CFBFQSBSBHPUAR-UHFFFAOYSA-N 0 0 292.791 3.607 50 0 CHAARN CC1=N/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)O1 ZINC000004726061 170006725 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Cc1cc(C)c(CSc2ncnc3[nH]cnc32)c(C)c1 ZINC000005126944 170068657 /nfs/dbraw/zinc/06/86/57/170068657.db2.gz PFFHYFUYNWNHSH-UHFFFAOYSA-N 0 0 284.388 3.570 50 0 CHAARN COc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1OC ZINC000005127690 170068897 /nfs/dbraw/zinc/06/88/97/170068897.db2.gz OMGOUGHPXDBAAO-UHFFFAOYSA-N 0 0 288.734 3.901 50 0 CHAARN CCc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000005171600 170073285 /nfs/dbraw/zinc/07/32/85/170073285.db2.gz KLBJTXBEKSVGOI-ZDUSSCGKSA-N 0 0 253.345 3.740 50 0 CHAARN CC(C)CCNC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000005205832 170076096 /nfs/dbraw/zinc/07/60/96/170076096.db2.gz MQIUBFPMTIPZIP-GHRIWEEISA-N 0 0 283.371 3.983 50 0 CHAARN CCN(CC)c1nc(C)nc2c3ccccc3oc21 ZINC000005219621 170076987 /nfs/dbraw/zinc/07/69/87/170076987.db2.gz KYYGPTDBPMTUJN-UHFFFAOYSA-N 0 0 255.321 3.531 50 0 CHAARN CCO[C@@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1 ZINC000005247595 170078874 /nfs/dbraw/zinc/07/88/74/170078874.db2.gz GOKVIMNWZMCYMH-SJORKVTESA-N 0 0 269.344 3.932 50 0 CHAARN 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/nfs/dbraw/zinc/75/11/34/171751134.db2.gz PFBDUFOZRAYNMG-MRVPVSSYSA-N 0 0 288.185 3.549 50 0 CHAARN C[C@@H](NC(=O)C1CCCC1)c1cccc(Br)c1 ZINC000032796148 171751608 /nfs/dbraw/zinc/75/16/08/171751608.db2.gz YNTQPQQCYFZNTD-SNVBAGLBSA-N 0 0 296.208 3.817 50 0 CHAARN CON(C)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000032892845 171757670 /nfs/dbraw/zinc/75/76/70/171757670.db2.gz PTLRTWRCASJUGA-CSKARUKUSA-N 0 0 291.347 3.587 50 0 CHAARN CCCCCCNC(=O)c1cccc2c1O[C@@H](C)[C@@H]2C ZINC000032903814 171759522 /nfs/dbraw/zinc/75/95/22/171759522.db2.gz QTWLZBIBJKJXEK-STQMWFEESA-N 0 0 275.392 3.881 50 0 CHAARN CC(C)(C)C(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000032931120 171764012 /nfs/dbraw/zinc/76/40/12/171764012.db2.gz VXYJPXRISBVSFB-UHFFFAOYSA-N 0 0 284.359 3.536 50 0 CHAARN Cc1ccc2oc3nn(-c4ccc(F)cc4)c(=O)c-3cc2c1 ZINC000033020959 171768491 /nfs/dbraw/zinc/76/84/91/171768491.db2.gz TXUUFXZXZDKDIO-UHFFFAOYSA-N 0 0 294.285 3.531 50 0 CHAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(C)c1 ZINC000033270552 171776356 /nfs/dbraw/zinc/77/63/56/171776356.db2.gz DQRQYHIGHSRGPQ-HNNXBMFYSA-N 0 0 299.374 3.969 50 0 CHAARN O=C(/C=C\c1cccc2ccccc12)Nc1nccs1 ZINC000033281770 171776779 /nfs/dbraw/zinc/77/67/79/171776779.db2.gz KVLLDSNTJCDFBO-HJWRWDBZSA-N 0 0 280.352 3.948 50 0 CHAARN CC(=O)c1cccc(NC(=O)C=Cc2ccc(C)cc2)c1 ZINC000033317220 171782574 /nfs/dbraw/zinc/78/25/74/171782574.db2.gz JNEQZHMRHKQXKG-KHPPLWFESA-N 0 0 279.339 3.850 50 0 CHAARN CC(=O)c1cccc(NC(=O)C=Cc2cccs2)c1 ZINC000033456665 171804249 /nfs/dbraw/zinc/80/42/49/171804249.db2.gz KGNGJHZJRCOCKK-FPLPWBNLSA-N 0 0 271.341 3.603 50 0 CHAARN Cc1cc(Cl)ccc1OC(=O)/C=C\c1ccco1 ZINC000033596468 171814486 /nfs/dbraw/zinc/81/44/86/171814486.db2.gz CRIHRPJDNVGGQJ-ALCCZGGFSA-N 0 0 262.692 3.860 50 0 CHAARN O=c1cc(Nc2ccc(Cl)cc2)c2ccccc2[nH]1 ZINC000034657141 171850582 /nfs/dbraw/zinc/85/05/82/171850582.db2.gz XKQNCHZAKXCJGV-UHFFFAOYSA-N 0 0 270.719 3.925 50 0 CHAARN CN(C(=O)CCc1c[nH]c2ccccc12)C1CCCC1 ZINC000035148969 172010873 /nfs/dbraw/zinc/01/08/73/172010873.db2.gz HCMBRWARGIALSM-UHFFFAOYSA-N 0 0 270.376 3.502 50 0 CHAARN CC(=O)CCCSc1ccc(Br)cc1 ZINC000035229265 172070240 /nfs/dbraw/zinc/07/02/40/172070240.db2.gz GCWNNXAGXSOJPS-UHFFFAOYSA-N 0 0 273.195 3.910 50 0 CHAARN Cc1nn(C(=O)Nc2cc(F)ccc2F)c2ccccc12 ZINC000035422264 172190171 /nfs/dbraw/zinc/19/01/71/172190171.db2.gz MADGWCPNDIUXJI-UHFFFAOYSA-N 0 0 287.269 3.703 50 0 CHAARN CCOc1ccc(NC(=O)n2ncc3ccccc32)cc1 ZINC000035422223 172190229 /nfs/dbraw/zinc/19/02/29/172190229.db2.gz RFUQITKXCOBZOT-UHFFFAOYSA-N 0 0 281.315 3.515 50 0 CHAARN COc1ccc(C(=O)c2ccccc2Cl)cc1F ZINC000035423897 172192726 /nfs/dbraw/zinc/19/27/26/172192726.db2.gz OKZUTSCBEUXWFN-UHFFFAOYSA-N 0 0 264.683 3.719 50 0 CHAARN Cc1cc([C@@H]2CCCN2Cc2cc(F)ccc2F)on1 ZINC000035511235 172242575 /nfs/dbraw/zinc/24/25/75/172242575.db2.gz XGVUHKVTZSJGOZ-AWEZNQCLSA-N 0 0 278.302 3.598 50 0 CHAARN CCC(C)(C)NC(=O)c1ccc(-c2ccc(F)cc2)nc1 ZINC000035514770 172242924 /nfs/dbraw/zinc/24/29/24/172242924.db2.gz QTKXLOZOYCRHSK-UHFFFAOYSA-N 0 0 286.350 3.806 50 0 CHAARN O=C(c1ccco1)N1CCC[C@@H]1c1ccccc1Cl ZINC000035537805 172244355 /nfs/dbraw/zinc/24/43/55/172244355.db2.gz YYUXVXHEDQLMOT-CYBMUJFWSA-N 0 0 275.735 3.910 50 0 CHAARN CCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1ccncc1)N2 ZINC000035538277 172244881 /nfs/dbraw/zinc/24/48/81/172244881.db2.gz VRXONWIPFBCEAN-QGTPRVQTSA-N 0 0 280.371 3.888 50 0 CHAARN CCc1nc(-c2cccc(NC(=O)c3ccsc3)c2)no1 ZINC000035539583 172245568 /nfs/dbraw/zinc/24/55/68/172245568.db2.gz RJUHWSWOPVXEIC-UHFFFAOYSA-N 0 0 299.355 3.613 50 0 CHAARN O=C(c1csc(-c2cc3ccccc3[nH]2)n1)N1CCCC1 ZINC000035598430 172287453 /nfs/dbraw/zinc/28/74/53/172287453.db2.gz DHMIASACDBTXPB-UHFFFAOYSA-N 0 0 297.383 3.527 50 0 CHAARN Nc1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1 ZINC000035696773 172364905 /nfs/dbraw/zinc/36/49/05/172364905.db2.gz ZXZYNQDLWJFJAP-UHFFFAOYSA-N 0 0 271.707 3.639 50 0 CHAARN O=C(c1cccc(F)c1)N1CCC[C@H]1c1ccccc1F ZINC000036619689 172641963 /nfs/dbraw/zinc/64/19/63/172641963.db2.gz SVQMXQDOBFGUJX-INIZCTEOSA-N 0 0 287.309 3.942 50 0 CHAARN O=C(NCC(c1ccccc1)c1ccccc1)c1ccco1 ZINC000036764654 172683868 /nfs/dbraw/zinc/68/38/68/172683868.db2.gz FTZZUEVLXFJJKS-UHFFFAOYSA-N 0 0 291.350 3.842 50 0 CHAARN C[C@H](NCc1cc(F)ccc1F)c1ccc2c(c1)OCO2 ZINC000036981976 172848492 /nfs/dbraw/zinc/84/84/92/172848492.db2.gz FSIBZGJVIWSQNE-JTQLQIEISA-N 0 0 291.297 3.544 50 0 CHAARN CC(C)c1ccc(N2Cc3ccc(N)cc3C2)cc1 ZINC000036988135 172852242 /nfs/dbraw/zinc/85/22/42/172852242.db2.gz KMOWSBJDYXASIA-UHFFFAOYSA-N 0 0 252.361 3.912 50 0 CHAARN Cc1nn2c(nc(C)cc2Cl)c1-c1ccccc1C ZINC000038478139 174141933 /nfs/dbraw/zinc/14/19/33/174141933.db2.gz PSWFLQZVPQVTET-UHFFFAOYSA-N 0 0 271.751 3.975 50 0 CHAARN CCNC(=O)Nc1nc(-c2cc(C)ccc2C)cs1 ZINC000038549988 174146759 /nfs/dbraw/zinc/14/67/59/174146759.db2.gz MTRZNFYUQYISMC-UHFFFAOYSA-N 0 0 275.377 3.568 50 0 CHAARN CCSc1ccccc1C(=O)NCc1ccsc1 ZINC000038586264 174148348 /nfs/dbraw/zinc/14/83/48/174148348.db2.gz BZQSABVBTRLNAM-UHFFFAOYSA-N 0 0 277.414 3.790 50 0 CHAARN C/C=C\C(=O)OCc1cc(-c2cc3ccccc3o2)on1 ZINC000038757379 174154653 /nfs/dbraw/zinc/15/46/53/174154653.db2.gz WNXWMESIMXOSOG-DJWKRKHSSA-N 0 0 283.283 3.707 50 0 CHAARN O=C1NC(=S)SC1=Cc1ccc2ncccc2c1 ZINC000038921466 174159555 /nfs/dbraw/zinc/15/95/55/174159555.db2.gz ZFGAUFCQRUSRCF-YRNVUSSQSA-N 0 0 272.354 3.564 50 0 CHAARN O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCCC1 ZINC000039975836 174180442 /nfs/dbraw/zinc/18/04/42/174180442.db2.gz PUTZVMHIAHGEMH-UHFFFAOYSA-N 0 0 275.348 3.790 50 0 CHAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)NOCc2ccccc2)o1 ZINC000040012765 174182727 /nfs/dbraw/zinc/18/27/27/174182727.db2.gz MITGEGVKAGHMIW-CZUORRHYSA-N 0 0 299.370 3.584 50 0 CHAARN CCc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000040023818 174183007 /nfs/dbraw/zinc/18/30/07/174183007.db2.gz MFGCQJWNEXKTSU-JSGCOSHPSA-N 0 0 260.381 3.949 50 0 CHAARN C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc2ncccc21 ZINC000040023827 174183315 /nfs/dbraw/zinc/18/33/15/174183315.db2.gz CHGCFKGEPIZJPM-TZMCWYRMSA-N 0 0 283.375 3.935 50 0 CHAARN C[C@@H]1C[C@@H]1C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000040024208 174183631 /nfs/dbraw/zinc/18/36/31/174183631.db2.gz LQJGFLQVVOLPFQ-PBHICJAKSA-N 0 0 271.404 3.514 50 0 CHAARN Cc1cc(C(=O)N(Cc2ccccn2)C2CC2)sc1C ZINC000040047384 174184125 /nfs/dbraw/zinc/18/41/25/174184125.db2.gz OAXNDMHPWSUIQO-UHFFFAOYSA-N 0 0 286.400 3.565 50 0 CHAARN Fc1cccc(Cl)c1CSc1nncn1C1CC1 ZINC000040038993 174184535 /nfs/dbraw/zinc/18/45/35/174184535.db2.gz WPAWPUHMFSJPFN-UHFFFAOYSA-N 0 0 283.759 3.698 50 0 CHAARN O=C(c1ccc(CSc2ccccn2)cc1)N1CCCC1 ZINC000040051489 174184778 /nfs/dbraw/zinc/18/47/78/174184778.db2.gz JAJNGOKQYYWGRF-UHFFFAOYSA-N 0 0 298.411 3.610 50 0 CHAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000040050047 174184922 /nfs/dbraw/zinc/18/49/22/174184922.db2.gz GCGBXHROUOSWRE-KGLIPLIRSA-N 0 0 272.392 3.662 50 0 CHAARN O=C(NCC1CC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000040050145 174185012 /nfs/dbraw/zinc/18/50/12/174185012.db2.gz VNTMMZIKBPUNQZ-UHFFFAOYSA-N 0 0 292.791 3.603 50 0 CHAARN Cc1cccc(CNC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c1 ZINC000040059687 174185680 /nfs/dbraw/zinc/18/56/80/174185680.db2.gz QGXMIBMEERFVMV-PBHICJAKSA-N 0 0 297.398 3.960 50 0 CHAARN CC(C)c1noc([C@@H](C)Sc2nccn2C2CC2)n1 ZINC000040059773 174185726 /nfs/dbraw/zinc/18/57/26/174185726.db2.gz ZTZPFZRIUZAWBH-SECBINFHSA-N 0 0 278.381 3.578 50 0 CHAARN Cc1ccc(NC(=O)CSc2cccs2)c(F)c1 ZINC000040082071 174187559 /nfs/dbraw/zinc/18/75/59/174187559.db2.gz MSMWPPBUVZICDH-UHFFFAOYSA-N 0 0 281.377 3.926 50 0 CHAARN O=C(Nc1ccc(Cl)cc1F)NC1CCCC1 ZINC000040097788 174190629 /nfs/dbraw/zinc/19/06/29/174190629.db2.gz PAYZONKSTGEICW-UHFFFAOYSA-N 0 0 256.708 3.543 50 0 CHAARN CC(=O)c1cccc(NC(=O)NC2CCCCCC2)c1 ZINC000040097431 174190646 /nfs/dbraw/zinc/19/06/46/174190646.db2.gz PPWNCCKISKIDKC-UHFFFAOYSA-N 0 0 274.364 3.734 50 0 CHAARN CCCOc1cccc(NC(=O)N2CCC[C@H](C)C2)c1 ZINC000040104861 174191075 /nfs/dbraw/zinc/19/10/75/174191075.db2.gz WUGCUFJECVGYHC-ZDUSSCGKSA-N 0 0 276.380 3.739 50 0 CHAARN Cc1oc(-c2cccs2)nc1C(=O)N(C)c1ccccc1 ZINC000040107398 174191958 /nfs/dbraw/zinc/19/19/58/174191958.db2.gz XMUVWISLKMIHJU-UHFFFAOYSA-N 0 0 298.367 3.988 50 0 CHAARN Cc1ccc(CNC(=O)CCCc2cccs2)s1 ZINC000040122215 174193020 /nfs/dbraw/zinc/19/30/20/174193020.db2.gz UDDZEJAHCYSVKN-UHFFFAOYSA-N 0 0 279.430 3.757 50 0 CHAARN CC(C)OCc1ccc(CNC(=O)C[C@@H]2C=CCC2)cc1 ZINC000040122264 174193402 /nfs/dbraw/zinc/19/34/02/174193402.db2.gz DBAFOUDABOAKSC-OAHLLOKOSA-N 0 0 287.403 3.584 50 0 CHAARN CN(Cc1ccc(Br)cc1)C(=O)CC(C)(C)C ZINC000040159467 174195528 /nfs/dbraw/zinc/19/55/28/174195528.db2.gz BQFWMPGTHDRRBY-UHFFFAOYSA-N 0 0 298.224 3.844 50 0 CHAARN Cc1c(-c2ccccc2)nn2c1nc(C)cc2N1CCCC1 ZINC000040216626 174205468 /nfs/dbraw/zinc/20/54/68/174205468.db2.gz AAWIDBRCIUJFHT-UHFFFAOYSA-N 0 0 292.386 3.613 50 0 CHAARN Cn1cc(C(=O)Nc2ccc3[nH]ccc3c2)c2ccccc21 ZINC000040309725 174230279 /nfs/dbraw/zinc/23/02/79/174230279.db2.gz IVXDCLKMRMQJCB-UHFFFAOYSA-N 0 0 289.338 3.912 50 0 biogenic CHAARN CC(C)(C)OC(=O)N1CCC(Sc2cccnc2)CC1 ZINC000040442680 174263056 /nfs/dbraw/zinc/26/30/56/174263056.db2.gz QHRHMCNNNWNGFR-UHFFFAOYSA-N 0 0 294.420 3.573 50 0 CHAARN CC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)nc1 ZINC000040448164 174265530 /nfs/dbraw/zinc/26/55/30/174265530.db2.gz ZFJUADQKGLOPCQ-UHFFFAOYSA-N 0 0 265.234 3.970 50 0 CHAARN CCOC(=O)c1sc2ccc(C(F)(F)F)cc2c1N ZINC000040448029 174265614 /nfs/dbraw/zinc/26/56/14/174265614.db2.gz XEFXFDVJHONPEO-UHFFFAOYSA-N 0 0 289.278 3.679 50 0 CHAARN Fc1cc(-c2ccc(Cl)nc2)ccc1C1OCCCO1 ZINC000040449988 174265816 /nfs/dbraw/zinc/26/58/16/174265816.db2.gz QLSAVFDATCSIAX-UHFFFAOYSA-N 0 0 293.725 3.977 50 0 CHAARN CN(Cc1ccc(Cl)s1)C(=O)c1cccs1 ZINC000040460958 174270508 /nfs/dbraw/zinc/27/05/08/174270508.db2.gz DJIRNTAMERKIIR-UHFFFAOYSA-N 0 0 271.794 3.735 50 0 CHAARN CCc1nsc2nc(-c3ccccc3Cl)oc(=O)c12 ZINC000040464784 174274510 /nfs/dbraw/zinc/27/45/10/174274510.db2.gz OVNZWJGTSVSDTR-UHFFFAOYSA-N 0 0 292.747 3.527 50 0 CHAARN O=C(Nc1ccc(Cl)cn1)c1cccc2ncccc21 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C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc2c(c1)CCO2 ZINC000084691864 566886619 /nfs/dbraw/zinc/88/66/19/566886619.db2.gz VRQMBWWRVWSHOI-IUODEOHRSA-N 0 0 288.391 3.664 50 0 CHAARN CCCCC(=O)N[C@H]1C[C@H]1c1ccccc1Cl ZINC000084742876 566887782 /nfs/dbraw/zinc/88/77/82/566887782.db2.gz XFBDOGVTXQEQIJ-AAEUAGOBSA-N 0 0 251.757 3.502 50 0 CHAARN FC(F)(F)c1ccc(-c2ccncc2)c(Cl)n1 ZINC000047212663 566891275 /nfs/dbraw/zinc/89/12/75/566891275.db2.gz DGDHMUCUFITEMA-UHFFFAOYSA-N 0 0 258.630 3.816 50 0 CHAARN C[C@@H]1CCCN(C(=O)c2cc3c(cccc3F)s2)C1 ZINC000025967420 566891483 /nfs/dbraw/zinc/89/14/83/566891483.db2.gz QFTARLGTPVLGDH-SNVBAGLBSA-N 0 0 277.364 3.913 50 0 CHAARN Cc1cc(C(=O)N[C@H](C)CCc2ccccc2)cs1 ZINC000001457146 566892764 /nfs/dbraw/zinc/89/27/64/566892764.db2.gz VBUJCQRANWQYHF-GFCCVEGCSA-N 0 0 273.401 3.808 50 0 CHAARN C[C@H]1CCN(Cc2cscn2)[C@@H](c2ccco2)C1 ZINC000247687896 566895194 /nfs/dbraw/zinc/89/51/94/566895194.db2.gz VJKUZCRYJDKHIE-WCQYABFASA-N 0 0 262.378 3.709 50 0 CHAARN 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O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H]1c1ccco1 ZINC000015836134 566919893 /nfs/dbraw/zinc/91/98/93/566919893.db2.gz HCCJOUBWKQBNKY-CQSZACIVSA-N 0 0 289.762 3.839 50 0 CHAARN Cc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000015836157 566919939 /nfs/dbraw/zinc/91/99/39/566919939.db2.gz VZOVYALTKADGSC-AWEZNQCLSA-N 0 0 255.317 3.565 50 0 CHAARN Cc1nc(-c2ccc(NC(=O)C[C@H]3C=CCC3)cc2)co1 ZINC000012905615 566927124 /nfs/dbraw/zinc/92/71/24/566927124.db2.gz QKMKWVQATMWTDZ-ZDUSSCGKSA-N 0 0 282.343 3.945 50 0 CHAARN Cc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1 ZINC000012918315 566927132 /nfs/dbraw/zinc/92/71/32/566927132.db2.gz VJFMZAHVYDKTHU-UHFFFAOYSA-N 0 0 286.400 3.973 50 0 CHAARN C[C@@H]1CCc2c(sc3ncnc(NCC4CC4)c32)C1 ZINC000012894206 566927470 /nfs/dbraw/zinc/92/74/70/566927470.db2.gz NAVYPAYRQMOQRJ-SECBINFHSA-N 0 0 273.405 3.638 50 0 CHAARN CC(C)c1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1 ZINC000012908597 566927917 /nfs/dbraw/zinc/92/79/17/566927917.db2.gz XUTVEQSIWASUGM-QGZVFWFLSA-N 0 0 281.355 3.752 50 0 CHAARN Cc1c(NC(=O)c2ccoc2)cnn1-c1cc(C)ccc1C ZINC000151870037 566928062 /nfs/dbraw/zinc/92/80/62/566928062.db2.gz MNJPJGXQGLWKLT-UHFFFAOYSA-N 0 0 295.342 3.643 50 0 CHAARN COc1ccc(OC)c(C(=O)Nc2c(C)cccc2C)c1 ZINC000012932136 566930934 /nfs/dbraw/zinc/93/09/34/566930934.db2.gz KDGATPBTIKTCPE-UHFFFAOYSA-N 0 0 285.343 3.573 50 0 CHAARN CCOC(=O)N1CCC(Nc2cccc(Cl)c2C)CC1 ZINC000023283246 566932329 /nfs/dbraw/zinc/93/23/29/566932329.db2.gz OZQBDJOPVZXFLH-UHFFFAOYSA-N 0 0 296.798 3.681 50 0 CHAARN CCc1cccc(N(C#N)Cc2cccc(OC)c2)c1 ZINC000075107693 566936575 /nfs/dbraw/zinc/93/65/75/566936575.db2.gz FLAGXZFBMFVAEI-UHFFFAOYSA-N 0 0 266.344 3.745 50 0 CHAARN O=C1C[C@H](c2ccccc2)SC(NC2CCCCC2)=N1 ZINC000075261086 566937503 /nfs/dbraw/zinc/93/75/03/566937503.db2.gz DTUHHQDAFGIVNI-CQSZACIVSA-N 0 0 288.416 3.670 50 0 CHAARN Cc1cc(Sc2ccc(N)cn2)ccc1Br ZINC000075284169 566939896 /nfs/dbraw/zinc/93/98/96/566939896.db2.gz DYXSFSIVSAVYMM-UHFFFAOYSA-N 0 0 295.205 3.886 50 0 CHAARN O=C(NC1CCCCC1)c1ccc(C(=O)c2ccccc2)o1 ZINC000075260719 566940117 /nfs/dbraw/zinc/94/01/17/566940117.db2.gz JPJJAYYUOXUICQ-UHFFFAOYSA-N 0 0 297.354 3.573 50 0 CHAARN O=C(CC1CCCC1)NCc1cncc(-c2ccco2)c1 ZINC000575609373 566945634 /nfs/dbraw/zinc/94/56/34/566945634.db2.gz WZBFYNNBKKJCAM-UHFFFAOYSA-N 0 0 284.359 3.538 50 0 CHAARN Cc1ccc(NC(=O)NCc2cncc(C3CC3)c2)cc1C ZINC000575620956 566948020 /nfs/dbraw/zinc/94/80/20/566948020.db2.gz SAECGCQIRSQGHE-UHFFFAOYSA-N 0 0 295.386 3.898 50 0 CHAARN Cc1cccc2[nH]c(-c3cnc(-c4ccco4)nc3)nc21 ZINC000055309699 566951357 /nfs/dbraw/zinc/95/13/57/566951357.db2.gz MZVRQFKPCGQBKK-UHFFFAOYSA-N 0 0 276.299 3.588 50 0 CHAARN CC[C@]1(C)Oc2ccc(NCc3c(C)noc3C)cc2O1 ZINC000191098377 566952121 /nfs/dbraw/zinc/95/21/21/566952121.db2.gz ZASCVDPWSITNOM-MRXNPFEDSA-N 0 0 288.347 3.801 50 0 CHAARN COc1ccccc1NC(=O)c1cc(C)c(C)s1 ZINC000012984513 566955459 /nfs/dbraw/zinc/95/54/59/566955459.db2.gz HYRZDTLOWPEYFF-UHFFFAOYSA-N 0 0 261.346 3.626 50 0 CHAARN Cc1c2cccc(F)c2oc1C(=O)N[C@@H](C)c1ccccn1 ZINC000006822613 566955576 /nfs/dbraw/zinc/95/55/76/566955576.db2.gz IBLFRTKNQCKEQL-NSHDSACASA-N 0 0 298.317 3.766 50 0 CHAARN O=C(Nc1ccccc1OC(F)(F)F)[C@H]1CC=CCC1 ZINC000013007970 566958633 /nfs/dbraw/zinc/95/86/33/566958633.db2.gz YWBFUNZODMPBGC-JTQLQIEISA-N 0 0 285.265 3.880 50 0 CHAARN C[C@@H](NC(=O)c1ccccc1O)c1ccc(Cl)cc1 ZINC000013014395 566958807 /nfs/dbraw/zinc/95/88/07/566958807.db2.gz WVIUUVAXAYAEKK-SNVBAGLBSA-N 0 0 275.735 3.537 50 0 CHAARN Cc1ccc(C)c(OCC(=O)Nc2c(C)cccc2C)c1 ZINC000000371199 566964958 /nfs/dbraw/zinc/96/49/58/566964958.db2.gz SNLMOFYIODYVEZ-UHFFFAOYSA-N 0 0 283.371 3.938 50 0 CHAARN Cc1ccc(NC(=O)[C@H]2[C@@H]3CCC=CCC[C@@H]32)cc1 ZINC000245238229 566969122 /nfs/dbraw/zinc/96/91/22/566969122.db2.gz GVYCESBPMFSNLB-ZSHCYNCHSA-N 0 0 255.361 3.926 50 0 CHAARN COc1cccc(COc2ccc3c(C)cc(=O)oc3c2)c1 ZINC000000457518 566975365 /nfs/dbraw/zinc/97/53/65/566975365.db2.gz DHHZLWYEZDBACT-UHFFFAOYSA-N 0 0 296.322 3.689 50 0 biogenic CHAARN C[C@H]1CCC[C@@H](OCc2nnc(-c3ccccc3)o2)C1 ZINC000521393740 566977295 /nfs/dbraw/zinc/97/72/95/566977295.db2.gz RJHNFFLVOQOQJV-GXTWGEPZSA-N 0 0 272.348 3.832 50 0 CHAARN CNC(=O)c1scc(-c2ccc(C)cc2)c1-n1cccc1 ZINC000064472630 566979158 /nfs/dbraw/zinc/97/91/58/566979158.db2.gz XFMXIPUNIUIPSG-UHFFFAOYSA-N 0 0 296.395 3.874 50 0 CHAARN CCCc1cncnc1-c1cccc([C@@H](C)OC)c1 ZINC000426405184 566987793 /nfs/dbraw/zinc/98/77/93/566987793.db2.gz SMZBUUCULJZAAG-GFCCVEGCSA-N 0 0 256.349 3.804 50 0 CHAARN COc1ccccc1C(=O)N1CCC[C@@H]1c1ccccc1C ZINC000064579894 566981999 /nfs/dbraw/zinc/98/19/99/566981999.db2.gz XFJLHCMVZPEBNP-QGZVFWFLSA-N 0 0 295.382 3.981 50 0 CHAARN O=C(NC1CCCC1)c1c2c(nc3ccc(F)cc31)CCC2 ZINC000064553376 566982111 /nfs/dbraw/zinc/98/21/11/566982111.db2.gz QVCLEOMKYOOFSV-UHFFFAOYSA-N 0 0 298.361 3.535 50 0 CHAARN Cc1noc(C)c1CCSC1=Nc2ccccc2C1 ZINC000089529241 566982199 /nfs/dbraw/zinc/98/21/99/566982199.db2.gz IIWNYWCAGRULHW-UHFFFAOYSA-N 0 0 272.373 3.853 50 0 CHAARN CN(C)C(=O)c1cc(-c2ccccc2F)nc2ccccc21 ZINC000064551434 566982338 /nfs/dbraw/zinc/98/23/38/566982338.db2.gz LZPDBJMLHUVZMZ-UHFFFAOYSA-N 0 0 294.329 3.743 50 0 CHAARN CC(C)c1cc([C@@H]2CCCN2C(=O)c2cccs2)no1 ZINC000064555583 566982681 /nfs/dbraw/zinc/98/26/81/566982681.db2.gz YUQOWKDXTQQOKQ-LBPRGKRZSA-N 0 0 290.388 3.837 50 0 CHAARN C[C@@H](O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000226273051 566982784 /nfs/dbraw/zinc/98/27/84/566982784.db2.gz HVBHQYOJGBEMQN-SNVBAGLBSA-N 0 0 275.735 3.646 50 0 CHAARN CC(C)CCNC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000064580008 566982825 /nfs/dbraw/zinc/98/28/25/566982825.db2.gz WMPGLLKIKLCDAR-OAHLLOKOSA-N 0 0 278.371 3.718 50 0 CHAARN CCOc1ccc(Cl)cc1-c1nnc(C)s1 ZINC000426376426 566987738 /nfs/dbraw/zinc/98/77/38/566987738.db2.gz QLACKYBXZKFJKG-UHFFFAOYSA-N 0 0 254.742 3.566 50 0 CHAARN CCCCOc1cc(F)ccc1-c1cnn(C)c1C(C)=O ZINC000426578528 566988290 /nfs/dbraw/zinc/98/82/90/566988290.db2.gz CRLLGQRUCXINAJ-UHFFFAOYSA-N 0 0 290.338 3.608 50 0 CHAARN COc1cc(C)c(-c2nc(C)nc(C)c2C)c(C)c1 ZINC000426412628 566989222 /nfs/dbraw/zinc/98/92/22/566989222.db2.gz BNKPQCUEZLSVDE-UHFFFAOYSA-N 0 0 256.349 3.694 50 0 CHAARN O=C(Nc1ccc(Cl)cc1)n1ncc2ccccc21 ZINC000064662410 566991032 /nfs/dbraw/zinc/99/10/32/566991032.db2.gz GTBMTUKJPINJEW-UHFFFAOYSA-N 0 0 271.707 3.770 50 0 CHAARN CC[C@@H](C)NC(=O)c1ccc2nc(-c3ccccc3)cn2c1 ZINC000064611530 566991131 /nfs/dbraw/zinc/99/11/31/566991131.db2.gz JFSFZQKPKZAXCE-CYBMUJFWSA-N 0 0 293.370 3.530 50 0 CHAARN CCCN(CCC)C(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000036139400 566993333 /nfs/dbraw/zinc/99/33/33/566993333.db2.gz GNHWYPNVQVVSAY-UHFFFAOYSA-N 0 0 285.391 3.509 50 0 CHAARN O=C(NC1CC1)c1ccc(-c2csc(C3CC3)n2)cc1 ZINC000064677577 566994396 /nfs/dbraw/zinc/99/43/96/566994396.db2.gz QJOGFBXPEIAILD-UHFFFAOYSA-N 0 0 284.384 3.580 50 0 CHAARN Cc1cccc(Nc2cc(N3CCCCC3)ncn2)c1 ZINC000006793177 566996551 /nfs/dbraw/zinc/99/65/51/566996551.db2.gz ANAWANBQWOFHOZ-UHFFFAOYSA-N 0 0 268.364 3.519 50 0 CHAARN O=C(c1ccc(F)cc1)N1CCSc2ccccc21 ZINC000037975168 566997336 /nfs/dbraw/zinc/99/73/36/566997336.db2.gz PQXKCJWIRCZNRW-UHFFFAOYSA-N 0 0 273.332 3.578 50 0 CHAARN O=C(Nc1ccc2cc[nH]c2c1)c1noc2c1CCCCC2 ZINC000036360118 566999531 /nfs/dbraw/zinc/99/95/31/566999531.db2.gz HUHHJSOFOPRMGI-UHFFFAOYSA-N 0 0 295.342 3.677 50 0 CHAARN CC(=O)Nc1ccc(/C=C\c2nc3ccccc3o2)cc1 ZINC000083260489 567001127 /nfs/dbraw/zinc/00/11/27/567001127.db2.gz MODPAIGKYOSDMX-FLIBITNWSA-N 0 0 278.311 3.957 50 0 CHAARN Fc1cc(F)c(Br)c(F)c1Br ZINC000065356384 567005827 /nfs/dbraw/zinc/00/58/27/567005827.db2.gz SFNQFVCUPVBCOC-UHFFFAOYSA-N 0 0 289.876 3.629 50 0 CHAARN O=C(Nc1ccccc1)N1CCN=C1c1cccc(Cl)c1 ZINC000170281092 567008024 /nfs/dbraw/zinc/00/80/24/567008024.db2.gz FDQDJIDMPXCCKU-UHFFFAOYSA-N 0 0 299.761 3.634 50 0 CHAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc3nc(C)cn3c2)C1(C)C ZINC000065518282 567009929 /nfs/dbraw/zinc/00/99/29/567009929.db2.gz ALDVBXYHIHRBQN-ZBFHGGJFSA-N 0 0 297.402 3.820 50 0 CHAARN CC(C)c1noc([C@@H](C)N2CCC[C@H](C(F)(F)F)C2)n1 ZINC000065564121 567010342 /nfs/dbraw/zinc/01/03/42/567010342.db2.gz UPGXEIVQFSTFLM-ZJUUUORDSA-N 0 0 291.317 3.528 50 0 CHAARN Cc1nc(C)c(CSCCCn2ccnc2C)s1 ZINC000170591980 567011787 /nfs/dbraw/zinc/01/17/87/567011787.db2.gz DXHDKEJMILOJST-UHFFFAOYSA-N 0 0 281.450 3.588 50 0 CHAARN CC(C)(C)c1ccc2c(c1)CC[N@@H+](CCCCC(=O)[O-])C2 ZINC000170594113 567011842 /nfs/dbraw/zinc/01/18/42/567011842.db2.gz SANXKHFXFRBHPO-UHFFFAOYSA-N 0 0 289.419 3.597 50 0 CHAARN Fc1ccc2ncnc(NC[C@@H]3Cc4ccccc43)c2c1 ZINC000170591493 567011934 /nfs/dbraw/zinc/01/19/34/567011934.db2.gz BULPYTZXTDPDHT-LBPRGKRZSA-N 0 0 279.318 3.521 50 0 CHAARN Cc1ccc(-c2nnc(COCCc3ccccc3)o2)cc1 ZINC000170594502 567012188 /nfs/dbraw/zinc/01/21/88/567012188.db2.gz CSKGEXWSWSFWKT-UHFFFAOYSA-N 0 0 294.354 3.804 50 0 CHAARN C[C@@H](Nc1cccc(OCCF)c1)c1ccc(F)cn1 ZINC000170592795 567012640 /nfs/dbraw/zinc/01/26/40/567012640.db2.gz XDSXZWJNGOVTOY-LLVKDONJSA-N 0 0 278.302 3.742 50 0 CHAARN COc1cccc([C@@H]2CCCN2C(=O)CC(C)(C)C)c1 ZINC000042010282 567015370 /nfs/dbraw/zinc/01/53/70/567015370.db2.gz ZYMFFYRZMCDROP-HNNXBMFYSA-N 0 0 275.392 3.795 50 0 CHAARN Cc1cc(SCCc2cnn(C)c2)nc2ccccc12 ZINC000170631415 567015669 /nfs/dbraw/zinc/01/56/69/567015669.db2.gz DTWYYAVXGPAZGD-UHFFFAOYSA-N 0 0 283.400 3.612 50 0 CHAARN CSc1cccc(NC(=O)NCc2ccc(F)cc2)c1 ZINC000013320060 567017927 /nfs/dbraw/zinc/01/79/27/567017927.db2.gz VBJTZYWQEXTUFU-UHFFFAOYSA-N 0 0 290.363 3.869 50 0 CHAARN O=C(Nc1cccc(Cl)c1Cl)NC1CCC1 ZINC000013331743 567018005 /nfs/dbraw/zinc/01/80/05/567018005.db2.gz ZHDKJBSLQUVDBO-UHFFFAOYSA-N 0 0 259.136 3.667 50 0 CHAARN C[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1cccnc1 ZINC000013744805 567020416 /nfs/dbraw/zinc/02/04/16/567020416.db2.gz OHNCFUMLNAPMFW-VIFPVBQESA-N 0 0 293.729 3.757 50 0 CHAARN CC[C@@H](C)NC(=O)NC1CCC(c2ccccc2)CC1 ZINC000013745624 567020728 /nfs/dbraw/zinc/02/07/28/567020728.db2.gz MWAPBGKFLWXZKR-IUDNXUCKSA-N 0 0 274.408 3.811 50 0 CHAARN CSc1cccc(NC(=O)N[C@H](C)c2ccccn2)c1 ZINC000013744668 567021343 /nfs/dbraw/zinc/02/13/43/567021343.db2.gz HQBNVPZSQAEBNE-LLVKDONJSA-N 0 0 287.388 3.686 50 0 CHAARN O=C(c1cscn1)N(CC1CCC1)c1ccccc1 ZINC000089841184 567028366 /nfs/dbraw/zinc/02/83/66/567028366.db2.gz PMINEUKNTLEFIO-UHFFFAOYSA-N 0 0 272.373 3.590 50 0 CHAARN c1ccc(Cn2c(-c3ccncc3)nc3cccnc32)cc1 ZINC000076039774 567028408 /nfs/dbraw/zinc/02/84/08/567028408.db2.gz ZSDWSCOWNAGZON-UHFFFAOYSA-N 0 0 286.338 3.542 50 0 CHAARN CC(C)n1cnnc1S[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000089894140 567030878 /nfs/dbraw/zinc/03/08/78/567030878.db2.gz RZQNZHKQYJLGHY-SNVBAGLBSA-N 0 0 294.424 3.998 50 0 CHAARN CC(C)NC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000076092918 567031107 /nfs/dbraw/zinc/03/11/07/567031107.db2.gz HSFNVJIYDZPFMR-CYBMUJFWSA-N 0 0 283.375 3.517 50 0 CHAARN CC(=O)Nc1ccc(NC2CCSCC2)c(Cl)c1 ZINC000095981694 567041279 /nfs/dbraw/zinc/04/12/79/567041279.db2.gz QWENCHOMEZZLAW-UHFFFAOYSA-N 0 0 284.812 3.606 50 0 CHAARN Cc1nc(C2CC2)oc1C(=O)Nc1cccc(C)c1C ZINC000095939836 567041325 /nfs/dbraw/zinc/04/13/25/567041325.db2.gz QZJFLZPGHSBYPW-UHFFFAOYSA-N 0 0 270.332 3.730 50 0 CHAARN C[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2[C@@H]3CC=CC[C@@H]3C(=O)N21 ZINC000002097571 567042425 /nfs/dbraw/zinc/04/24/25/567042425.db2.gz MAFXGFNNEKUFGD-IUWMUCMRSA-N 0 0 292.382 3.578 50 0 biogenic CHAARN CCO[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[C@H](C)C2)C12CCC2 ZINC000170638819 567042506 /nfs/dbraw/zinc/04/25/06/567042506.db2.gz KRJKOXVRSSOURJ-XUWVNRHRSA-N 0 0 293.451 3.667 50 0 CHAARN O[C@H](c1ccccc1Cl)[C@@H](O)c1ccccc1Cl ZINC000000391526 567053733 /nfs/dbraw/zinc/05/37/33/567053733.db2.gz PRPZPQDFVUBHDN-OKILXGFUSA-N 0 0 283.154 3.760 50 0 CHAARN c1cnnc(SCCSC2CCCCC2)c1 ZINC000252487513 567058092 /nfs/dbraw/zinc/05/80/92/567058092.db2.gz HXCXTNOYYTUXEF-UHFFFAOYSA-N 0 0 254.424 3.635 50 0 CHAARN Cc1cc(C)n2cc(COc3ccc(Cl)cc3)nc2n1 ZINC000004136860 567058752 /nfs/dbraw/zinc/05/87/52/567058752.db2.gz YRPODFYOIWNGPU-UHFFFAOYSA-N 0 0 287.750 3.579 50 0 CHAARN O=C(c1cc(C2CC2)no1)N1CCCC[C@@H]2CCCC[C@H]21 ZINC000252507652 567060035 /nfs/dbraw/zinc/06/00/35/567060035.db2.gz WQQIOUMSBNGODC-DZGCQCFKSA-N 0 0 288.391 3.737 50 0 CHAARN COCCC(C)(C)NC(=O)C[C@@H](C)C1CCCCC1 ZINC000170649062 567063432 /nfs/dbraw/zinc/06/34/32/567063432.db2.gz FAINAOSZTXRGIJ-CYBMUJFWSA-N 0 0 269.429 3.524 50 0 CHAARN C[C@]12CC[C@@H]3c4ccc(CO)cc4CC[C@@H]3[C@H]1CCC2=O ZINC000252597752 567065923 /nfs/dbraw/zinc/06/59/23/567065923.db2.gz CUWQAYNNRUMVQO-NTDBWNAOSA-N 0 0 284.399 3.604 50 0 CHAARN COc1cc(C)ccc1CNc1ncnc2ccccc21 ZINC000170661412 567066193 /nfs/dbraw/zinc/06/61/93/567066193.db2.gz ZOCXGQQMFQQPMX-UHFFFAOYSA-N 0 0 279.343 3.559 50 0 CHAARN C[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000000253742 567073451 /nfs/dbraw/zinc/07/34/51/567073451.db2.gz QPOUGHQRILNRSG-SRXBQZRASA-N 0 0 269.319 3.716 50 0 CHAARN COc1ccc2c(c1)CC[C@H]1[C@H]3C[C@@H](O)C[C@]3(C)CC[C@H]21 ZINC000101363237 567090688 /nfs/dbraw/zinc/09/06/88/567090688.db2.gz SLNMIOMHGWEGBR-PYJZQUQOSA-N 0 0 286.415 3.912 50 0 CHAARN Cc1cnc(CNC(=O)Nc2ccc3oc(C)c(C)c3c2)o1 ZINC000253419995 567098218 /nfs/dbraw/zinc/09/82/18/567098218.db2.gz SALJUQNSJTXBIK-UHFFFAOYSA-N 0 0 299.330 3.668 50 0 CHAARN Oc1ccc(-c2nnc(SCc3ccccc3)o2)cc1 ZINC000013126449 567116408 /nfs/dbraw/zinc/11/64/08/567116408.db2.gz KLMFEJLVDLLWJA-UHFFFAOYSA-N 0 0 284.340 3.735 50 0 CHAARN CCCCn1nc(NC(C)=O)c2cc3cc(C)ccc3nc21 ZINC000002452712 567116574 /nfs/dbraw/zinc/11/65/74/567116574.db2.gz ZXWFHDIKPVYOHI-UHFFFAOYSA-N 0 0 296.374 3.651 50 0 CHAARN CCCN(CC(N)=O)c1ncc(-c2ccccc2)s1 ZINC000328596510 567119749 /nfs/dbraw/zinc/11/97/49/567119749.db2.gz YAGVQIQHSMZPFV-UHFFFAOYSA-N 0 0 275.377 3.562 50 0 CHAARN Cc1ncsc1-c1nc(-c2cc(F)ccc2C)no1 ZINC000328593884 567119880 /nfs/dbraw/zinc/11/98/80/567119880.db2.gz VVYLQGFCUPXJAT-UHFFFAOYSA-N 0 0 275.308 3.616 50 0 CHAARN CCC[C@@H]1C[C@@H](c2nc(-c3nc(C)cs3)no2)CCO1 ZINC000390833318 567125453 /nfs/dbraw/zinc/12/54/53/567125453.db2.gz FZAHYOGKOUEEEV-WDEREUQCSA-N 0 0 293.392 3.564 50 0 CHAARN O=C(NCc1ccc(-c2ccoc2)cc1)[C@@H]1CC=CCC1 ZINC000390832303 567125713 /nfs/dbraw/zinc/12/57/13/567125713.db2.gz YNEGYCRJSRDQTE-MRXNPFEDSA-N 0 0 281.355 3.919 50 0 CHAARN CCCCSCc1csc(-c2cnn(C)c2)n1 ZINC000080060044 567127862 /nfs/dbraw/zinc/12/78/62/567127862.db2.gz QDSIZVZMGJDDGX-UHFFFAOYSA-N 0 0 267.423 3.577 50 0 CHAARN Cc1ccc(OCCCn2c(Cl)cccc2=O)cc1C ZINC000095412833 567128018 /nfs/dbraw/zinc/12/80/18/567128018.db2.gz HLUZNPWKZBRRNG-UHFFFAOYSA-N 0 0 291.778 3.588 50 0 CHAARN C[C@@H](Nc1ncnc2sccc21)c1nc2ccccc2[nH]1 ZINC000095348627 567128481 /nfs/dbraw/zinc/12/84/81/567128481.db2.gz LAOJHADQSWCVFC-SECBINFHSA-N 0 0 295.371 3.741 50 0 CHAARN CC[C@@H](COc1cccc(C)c1)NC(=O)c1cccc(C)c1 ZINC000080344803 567128546 /nfs/dbraw/zinc/12/85/46/567128546.db2.gz HYECDAGHWCLCSD-KRWDZBQOSA-N 0 0 297.398 3.891 50 0 CHAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2n[nH]c3ccccc32)C1(C)C ZINC000095349081 567128925 /nfs/dbraw/zinc/12/89/25/567128925.db2.gz ADYCBWQYAUTSLL-JSGCOSHPSA-N 0 0 283.375 3.740 50 0 CHAARN 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/nfs/dbraw/zinc/84/97/34/567849734.db2.gz DXDYPUNADFHEPG-UHFFFAOYSA-N 0 0 297.442 3.950 50 0 CHAARN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000002871349 567849806 /nfs/dbraw/zinc/84/98/06/567849806.db2.gz BFFBKFBVVSXCQP-UHFFFAOYSA-N 0 0 257.255 3.834 50 0 CHAARN Cc1ccc(O[C@H](C)C(=O)N2CCCc3ccccc32)cc1 ZINC000002887373 567850347 /nfs/dbraw/zinc/85/03/47/567850347.db2.gz AREJFPFDSNICFM-OAHLLOKOSA-N 0 0 295.382 3.742 50 0 CHAARN CCCCOc1ccc2c(C)c(CC)c(=O)oc2c1 ZINC000002949899 567850554 /nfs/dbraw/zinc/85/05/54/567850554.db2.gz JNDOCQWXHKJQSZ-UHFFFAOYSA-N 0 0 260.333 3.843 50 0 CHAARN O=C1c2ccccc2N(Cc2cccc3ccccc32)C1=O ZINC000002941584 567850591 /nfs/dbraw/zinc/85/05/91/567850591.db2.gz JZHKGMPFIUHFTK-UHFFFAOYSA-N 0 0 287.318 3.569 50 0 CHAARN CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1ccccc1 ZINC000002989079 567850945 /nfs/dbraw/zinc/85/09/45/567850945.db2.gz SAZYCQHKLUDYGT-HUUCEWRRSA-N 0 0 277.408 3.787 50 0 CHAARN COc1ccc(C(=O)N[C@H](C)CCCC(C)C)c(OC)c1 ZINC000002989707 567850993 /nfs/dbraw/zinc/85/09/93/567850993.db2.gz ZQVGEBLOSXHHSH-CYBMUJFWSA-N 0 0 293.407 3.648 50 0 CHAARN c1ccc(-c2onc3ccc(C4OCCO4)cc32)cc1 ZINC000003012430 567851190 /nfs/dbraw/zinc/85/11/90/567851190.db2.gz FJLFPNLOFYIETF-UHFFFAOYSA-N 0 0 267.284 3.540 50 0 CHAARN Cc1ccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c(C)c1 ZINC000003097288 567851193 /nfs/dbraw/zinc/85/11/93/567851193.db2.gz MNLBANLVYHVZKB-ACJLOTCBSA-N 0 0 285.387 3.619 50 0 CHAARN Cc1cccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1C ZINC000003069633 567851320 /nfs/dbraw/zinc/85/13/20/567851320.db2.gz CVLXIBCWRXRJBR-VQHVLOKHSA-N 0 0 295.338 3.684 50 0 CHAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C=O ZINC000003208011 567851915 /nfs/dbraw/zinc/85/19/15/567851915.db2.gz PPEYODGHGWCLLE-UHFFFAOYSA-N 0 0 278.311 3.786 50 0 CHAARN Cc1[nH]nc(-c2ccc(C)cc2C)c1NC(=O)CC(C)C ZINC000034794762 567852339 /nfs/dbraw/zinc/85/23/39/567852339.db2.gz YNKVYLKNNYUSBA-UHFFFAOYSA-N 0 0 285.391 3.987 50 0 CHAARN CCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)C(C)C ZINC000034795083 567852378 /nfs/dbraw/zinc/85/23/78/567852378.db2.gz XZOBYBKNKDCAEO-UHFFFAOYSA-N 0 0 289.354 3.763 50 0 CHAARN COC[C@H](C)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000003321787 567852380 /nfs/dbraw/zinc/85/23/80/567852380.db2.gz XUORCGXJOWCHIE-VIFPVBQESA-N 0 0 282.796 3.910 50 0 CHAARN CCOc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 ZINC000003524092 567852633 /nfs/dbraw/zinc/85/26/33/567852633.db2.gz WZHGHLYJWXJGDH-AWEZNQCLSA-N 0 0 299.370 3.800 50 0 CHAARN CC(=O)c1cccc(NC(=O)c2sccc2C)c1 ZINC000003373400 567852677 /nfs/dbraw/zinc/85/26/77/567852677.db2.gz GRLYUBNLDBYPSC-UHFFFAOYSA-N 0 0 259.330 3.511 50 0 CHAARN Cc1ccccc1NC(=O)Cc1ccccc1Cl ZINC000003481335 567852847 /nfs/dbraw/zinc/85/28/47/567852847.db2.gz MDOGVDHXKNHIFZ-UHFFFAOYSA-N 0 0 259.736 3.830 50 0 CHAARN O=C(CC1CCCC1)Nc1nc2ccccc2s1 ZINC000003559725 567853185 /nfs/dbraw/zinc/85/31/85/567853185.db2.gz LTGBJKQMLZCAPR-UHFFFAOYSA-N 0 0 260.362 3.815 50 0 CHAARN COc1ccc(CCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000003556158 567853225 /nfs/dbraw/zinc/85/32/25/567853225.db2.gz ISAWAPHOSYXORO-UHFFFAOYSA-N 0 0 295.382 3.755 50 0 CHAARN C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000003830765 567853364 /nfs/dbraw/zinc/85/33/64/567853364.db2.gz VOXZDWNPVJITMN-ATIWLJMLSA-N 0 0 272.388 3.609 50 0 biogenic,in-man CHAARN CC[C@H](C)NC(=O)c1ccccc1-c1nc2ccccc2[nH]1 ZINC000003901904 567854373 /nfs/dbraw/zinc/85/43/73/567854373.db2.gz RGWARTPRUCFZCR-LBPRGKRZSA-N 0 0 293.370 3.758 50 0 CHAARN O=C(Nc1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2 ZINC000003958566 567854583 /nfs/dbraw/zinc/85/45/83/567854583.db2.gz PDZHTAQPWOJAQQ-UHFFFAOYSA-N 0 0 299.370 3.570 50 0 CHAARN O=c1c2ccccc2nc2scc(-c3ccccc3)n21 ZINC000004086303 567854908 /nfs/dbraw/zinc/85/49/08/567854908.db2.gz VHSKFCPJYPFSGP-UHFFFAOYSA-N 0 0 278.336 3.576 50 0 CHAARN O=C(Nc1ccncc1)c1c(Cl)cccc1Cl ZINC000004045634 567855139 /nfs/dbraw/zinc/85/51/39/567855139.db2.gz OLJPUMGNYIOTFM-UHFFFAOYSA-N 0 0 267.115 3.641 50 0 CHAARN CCc1ccc(NC(=O)c2cccc(OC)c2)cc1 ZINC000004109700 567855497 /nfs/dbraw/zinc/85/54/97/567855497.db2.gz JYJMHIMFAGQPCR-UHFFFAOYSA-N 0 0 255.317 3.510 50 0 CHAARN COc1ccc(-c2nnc(/C=C/c3cccs3)o2)cc1 ZINC000004291480 567856626 /nfs/dbraw/zinc/85/66/26/567856626.db2.gz HZYHYFZWAPTWMJ-CMDGGOBGSA-N 0 0 284.340 3.977 50 0 CHAARN CC(C)c1ccc(/C=C/C(=O)n2nnc3ccccc32)cc1 ZINC000004322455 567856729 /nfs/dbraw/zinc/85/67/29/567856729.db2.gz CHLPYSBWQNRNQT-FMIVXFBMSA-N 0 0 291.354 3.908 50 0 CHAARN COc1cc(C(C)=O)ccc1OCc1ccccc1F ZINC000004342709 567856902 /nfs/dbraw/zinc/85/69/02/567856902.db2.gz PREWVUKMXVPQFT-UHFFFAOYSA-N 0 0 274.291 3.616 50 0 biogenic,in-vitro CHAARN Cc1ccn(C(=O)C(c2ccccc2)c2ccccc2)n1 ZINC000004354408 567856906 /nfs/dbraw/zinc/85/69/06/567856906.db2.gz NIONCYFIYFASPN-UHFFFAOYSA-N 0 0 276.339 3.664 50 0 CHAARN Cc1cccc(C(=O)C2=NNC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000004343145 567856921 /nfs/dbraw/zinc/85/69/21/567856921.db2.gz YERBIDCJTKFQRE-OAHLLOKOSA-N 0 0 298.773 3.574 50 0 CHAARN COc1ccc(C(=O)CCC(=O)c2ccccc2)cc1 ZINC000004342754 567857049 /nfs/dbraw/zinc/85/70/49/567857049.db2.gz ZNZJJYOOOWCSFW-UHFFFAOYSA-N 0 0 268.312 3.541 50 0 CHAARN O=C(Cn1cnc2ccccc21)c1ccc(Cl)cc1 ZINC000004385693 567857344 /nfs/dbraw/zinc/85/73/44/567857344.db2.gz JSFVJYUMLBGVLC-UHFFFAOYSA-N 0 0 270.719 3.573 50 0 CHAARN COc1ccc(/C=C(\C)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000004528877 567857651 /nfs/dbraw/zinc/85/76/51/567857651.db2.gz HFDFCQJGXZMSQW-OUKQBFOZSA-N 0 0 297.354 3.746 50 0 CHAARN O=C(/C=C/c1ccccc1)NC/C=C\c1ccccc1 ZINC000004532635 567858131 /nfs/dbraw/zinc/85/81/31/567858131.db2.gz MCQDJXMRZFVXCG-ZFVREGAWSA-N 0 0 263.340 3.529 50 0 CHAARN CCCC[C@@H](CC)CNC(=O)c1ccccc1OC ZINC000004666162 567858912 /nfs/dbraw/zinc/85/89/12/567858912.db2.gz AUQMFBHDGMPFQQ-CYBMUJFWSA-N 0 0 263.381 3.641 50 0 CHAARN Cc1ccc(C)c(OCCCCCn2ccnc2)c1 ZINC000006797268 567859495 /nfs/dbraw/zinc/85/94/95/567859495.db2.gz APBHFMBWFNWTEH-UHFFFAOYSA-N 0 0 258.365 3.749 50 0 CHAARN Cc1ccc([C@H](C)NCc2csc([C@H]3CCCO3)n2)o1 ZINC000097374075 567859784 /nfs/dbraw/zinc/85/97/84/567859784.db2.gz GIXBMROYNNZPTR-SMDDNHRTSA-N 0 0 292.404 3.747 50 0 CHAARN CCOC(=O)c1c(C)[nH]cc1Cc1ccc(Cl)cc1 ZINC000002707141 567859803 /nfs/dbraw/zinc/85/98/03/567859803.db2.gz MHMPPZKIXAWTSO-UHFFFAOYSA-N 0 0 277.751 3.744 50 0 CHAARN CCc1ccccc1NC(=O)[C@](F)(Cl)C(F)(F)F ZINC000002751808 567860257 /nfs/dbraw/zinc/86/02/57/567860257.db2.gz DJZGOEVMVZQFGC-SNVBAGLBSA-N 0 0 283.652 3.654 50 0 CHAARN CCCCC[C@H](C)NC(=O)COc1ccc(Cl)cc1 ZINC000002739849 567860409 /nfs/dbraw/zinc/86/04/09/567860409.db2.gz YODPKVHBLFCCIE-LBPRGKRZSA-N 0 0 283.799 3.804 50 0 CHAARN CCc1c(C)sc(NC(=O)C2CCCC2)c1C(=O)OC ZINC000002741754 567860528 /nfs/dbraw/zinc/86/05/28/567860528.db2.gz FORGBVQGRAIRNJ-UHFFFAOYSA-N 0 0 295.404 3.534 50 0 CHAARN Cc1ccccc1C(=O)Nc1nc(-c2ccccc2)ns1 ZINC000002889429 567860791 /nfs/dbraw/zinc/86/07/91/567860791.db2.gz HVBWCLOTVHKIIU-UHFFFAOYSA-N 0 0 295.367 3.766 50 0 CHAARN C[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000010381642 567861485 /nfs/dbraw/zinc/86/14/85/567861485.db2.gz YIRKVIDVZNHUJW-LBPRGKRZSA-N 0 0 295.342 3.550 50 0 CHAARN CCc1ccccc1NC(=O)CCc1ccc2c(c1)OCO2 ZINC000010444348 567861642 /nfs/dbraw/zinc/86/16/42/567861642.db2.gz VJUGTAMVSNYNRJ-UHFFFAOYSA-N 0 0 297.354 3.549 50 0 CHAARN O=C(OCC(=O)c1ccccc1F)c1cc2ccccc2o1 ZINC000004332631 567862024 /nfs/dbraw/zinc/86/20/24/567862024.db2.gz LGIJEJKXYMRWNO-UHFFFAOYSA-N 0 0 298.269 3.612 50 0 CHAARN CSCCC(=O)N1CCC[C@@H](CCc2ccccc2)C1 ZINC000012076073 567862238 /nfs/dbraw/zinc/86/22/38/567862238.db2.gz SHQKKVNMEDGNDS-INIZCTEOSA-N 0 0 291.460 3.611 50 0 CHAARN O=C(C[C@@H](c1ccccc1)c1ccccc1F)N1CCCO1 ZINC000012298154 567862570 /nfs/dbraw/zinc/86/25/70/567862570.db2.gz NUGCRZGDCJZPIS-INIZCTEOSA-N 0 0 299.345 3.512 50 0 CHAARN COc1ccc(Cl)cc1C(=O)N[C@@H](C)C(C)(C)C ZINC000012381110 567863155 /nfs/dbraw/zinc/86/31/55/567863155.db2.gz OREJPQQMXJLMCL-VIFPVBQESA-N 0 0 269.772 3.513 50 0 CHAARN CNC(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000012385717 567863245 /nfs/dbraw/zinc/86/32/45/567863245.db2.gz WKICJQJBKDLCJP-HNNXBMFYSA-N 0 0 273.763 3.608 50 0 CHAARN CNC(=O)c1ccccc1-c1cccc2ccccc21 ZINC000032586956 567863308 /nfs/dbraw/zinc/86/33/08/567863308.db2.gz XRIMNRVRGHIYCC-UHFFFAOYSA-N 0 0 261.324 3.866 50 0 CHAARN O=C1C[C@@H](c2cc(F)ccc2F)c2sccc2N1 ZINC000012428517 567863343 /nfs/dbraw/zinc/86/33/43/567863343.db2.gz QFMDLGYKZHBMEV-VIFPVBQESA-N 0 0 265.284 3.500 50 0 CHAARN Cc1ccccc1[C@H]1CCN(C(=O)C2CCC2)CCS1 ZINC000219285202 567863346 /nfs/dbraw/zinc/86/33/46/567863346.db2.gz QOHZIGIRJNWIJY-MRXNPFEDSA-N 0 0 289.444 3.802 50 0 CHAARN O=C(NCc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000004338216 567863595 /nfs/dbraw/zinc/86/35/95/567863595.db2.gz AEGPPEKTVKFZNH-UHFFFAOYSA-N 0 0 269.388 3.519 50 0 CHAARN CCC(=O)Nc1ccc(F)cc1C(=O)Cc1ccccc1 ZINC000012418361 567863606 /nfs/dbraw/zinc/86/36/06/567863606.db2.gz UILREKHTSKOCGY-UHFFFAOYSA-N 0 0 285.318 3.600 50 0 CHAARN CCCCNC(=O)c1ccc(COc2ccccc2C)o1 ZINC000032610782 567863895 /nfs/dbraw/zinc/86/38/95/567863895.db2.gz UNVVSFGYTLEHBB-UHFFFAOYSA-N 0 0 287.359 3.697 50 0 CHAARN Cc1nc(C=Cc2ccccc2)[nH]c(=O)c1-c1ccccc1 ZINC000013122469 567864757 /nfs/dbraw/zinc/86/47/57/567864757.db2.gz CEENWMACEMUHQH-OUKQBFOZSA-N 0 0 288.350 3.916 50 0 CHAARN Fc1cccc(F)c1-c1csc(NC2CC2)n1 ZINC000012976668 567864942 /nfs/dbraw/zinc/86/49/42/567864942.db2.gz FWMBGMAXSBPOBP-UHFFFAOYSA-N 0 0 252.289 3.663 50 0 CHAARN Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)o1 ZINC000013140812 567865139 /nfs/dbraw/zinc/86/51/39/567865139.db2.gz WIXSTAWEGLXQHB-UHFFFAOYSA-N 0 0 285.221 3.739 50 0 CHAARN Cc1ccc(-c2ccnc(-c3ccc(O)cc3)n2)cc1 ZINC000013125632 567865377 /nfs/dbraw/zinc/86/53/77/567865377.db2.gz VDFQHZOBBWXIHT-UHFFFAOYSA-N 0 0 262.312 3.825 50 0 CHAARN CC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000013327345 567865657 /nfs/dbraw/zinc/86/56/57/567865657.db2.gz CWFJEGWENWHSEG-UHFFFAOYSA-N 0 0 272.175 3.866 50 0 CHAARN Cc1cnc(NC(=O)c2csc3ccccc23)s1 ZINC000013329789 567865931 /nfs/dbraw/zinc/86/59/31/567865931.db2.gz ZGRKQEXKEGGKFB-UHFFFAOYSA-N 0 0 274.370 3.919 50 0 CHAARN CC(=O)Nc1ccc(/C=C\c2nc3ccccc3[nH]2)cc1 ZINC000013403805 567866036 /nfs/dbraw/zinc/86/60/36/567866036.db2.gz ZJIDCAOFDMDDIC-FLIBITNWSA-N 0 0 277.327 3.692 50 0 CHAARN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nccs1 ZINC000013330529 567866080 /nfs/dbraw/zinc/86/60/80/567866080.db2.gz APMFFJNMJISJAH-CYBMUJFWSA-N 0 0 290.388 3.556 50 0 CHAARN CCCSc1nc(=O)c2c3c(sc2[nH]1)CC[C@@H](C)C3 ZINC000013522222 567866340 /nfs/dbraw/zinc/86/63/40/567866340.db2.gz CPBIRHHJIOEGCD-MRVPVSSYSA-N 0 0 294.445 3.612 50 0 CHAARN C[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)Cc1ccccc1 ZINC000013468383 567866357 /nfs/dbraw/zinc/86/63/57/567866357.db2.gz ZTPZWUDSURJLNZ-IYBDPMFKSA-N 0 0 296.414 3.548 50 0 CHAARN Cc1cc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)no1 ZINC000013744815 567867346 /nfs/dbraw/zinc/86/73/46/567867346.db2.gz UGTQCTWAJPCRMF-LBPRGKRZSA-N 0 0 288.347 3.512 50 0 CHAARN Cc1coc2cc3o/c(=N/O)c4c(c3cc12)CCCC4 ZINC000013734516 567867399 /nfs/dbraw/zinc/86/73/99/567867399.db2.gz YJNXRGFXKODILY-WUKNDPDISA-N 0 0 269.300 3.656 50 0 CHAARN CCc1ccc2oc(-c3cc(NC(C)=O)ccc3O)nc2c1 ZINC000013724529 567867420 /nfs/dbraw/zinc/86/74/20/567867420.db2.gz OCRBIZZRVMZTGN-UHFFFAOYSA-N 0 0 296.326 3.721 50 0 CHAARN O=C(CCn1ccc2ccc(F)cc21)Nc1ccc(O)cc1 ZINC000013726848 567867576 /nfs/dbraw/zinc/86/75/76/567867576.db2.gz QDDMOAXJKCCZHU-UHFFFAOYSA-N 0 0 298.317 3.515 50 0 CHAARN CCCCCCNC(=S)Nc1ccc(OCC)cc1 ZINC000013819084 567867981 /nfs/dbraw/zinc/86/79/81/567867981.db2.gz UHXJVGTTXLQZQH-UHFFFAOYSA-N 0 0 280.437 3.952 50 0 CHAARN Cc1sc(-c2ccco2)nc1C(=O)N1CCCC[C@H]1C ZINC000032772277 567868207 /nfs/dbraw/zinc/86/82/07/567868207.db2.gz IZVXMAYCVWZSBV-SNVBAGLBSA-N 0 0 290.388 3.726 50 0 CHAARN Cc1ccc(C(=O)[C@H](C)Sc2nnc(C(C)C)[nH]2)cc1 ZINC000014140271 567868308 /nfs/dbraw/zinc/86/83/08/567868308.db2.gz VNUZGBJDNAXHSP-NSHDSACASA-N 0 0 289.404 3.600 50 0 CHAARN O=C(CCc1ccc(F)cc1)Nc1cccc2cccnc21 ZINC000014184601 567868317 /nfs/dbraw/zinc/86/83/17/567868317.db2.gz ZDCWPPZZEVBEOZ-UHFFFAOYSA-N 0 0 294.329 3.945 50 0 CHAARN CCOc1ccc(NCc2nnc(-c3ccccc3)o2)cc1 ZINC000004513658 567868412 /nfs/dbraw/zinc/86/84/12/567868412.db2.gz BGRDLBYRPJYEOW-UHFFFAOYSA-N 0 0 295.342 3.747 50 0 CHAARN C[C@@H]1CCCC[C@@H]1Nc1cccc(N2CCOCC2)c1 ZINC000095360920 567868618 /nfs/dbraw/zinc/86/86/18/567868618.db2.gz RZFNJOKDWRMMOI-PBHICJAKSA-N 0 0 274.408 3.514 50 0 CHAARN CC(=O)Nc1ccc(C(=O)c2cc3ccccc3o2)c(F)c1 ZINC000014202121 567868652 /nfs/dbraw/zinc/86/86/52/567868652.db2.gz ZYXHOXBMXWMKBA-UHFFFAOYSA-N 0 0 297.285 3.761 50 0 CHAARN CCc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000014255687 567868706 /nfs/dbraw/zinc/86/87/06/567868706.db2.gz ALMSUZNQNQOUDW-UHFFFAOYSA-N 0 0 289.400 3.667 50 0 CHAARN O=C(c1ccsc1)N1CCO[C@H](CC2CCCCC2)C1 ZINC000014970466 567869714 /nfs/dbraw/zinc/86/97/14/567869714.db2.gz LTDRZTKCIDRWKD-OAHLLOKOSA-N 0 0 293.432 3.560 50 0 CHAARN Cc1cccc2c1NC(=O)[C@H]2Cc1ccc(Cl)cc1 ZINC000015017366 567870006 /nfs/dbraw/zinc/87/00/06/567870006.db2.gz JUHNGTMUGXVOAV-AWEZNQCLSA-N 0 0 271.747 3.927 50 0 CHAARN CC(=O)Nc1ccc(C(=O)N[C@@H](C)CCCC(C)C)s1 ZINC000032865932 567870052 /nfs/dbraw/zinc/87/00/52/567870052.db2.gz DUTWVQJCZUNHDL-NSHDSACASA-N 0 0 296.436 3.651 50 0 CHAARN CC(C)=CC(=O)N1CCC[C@@H](Nc2ccc(C)c(C)c2)C1 ZINC000015068436 567870380 /nfs/dbraw/zinc/87/03/80/567870380.db2.gz VFPQTHWJZXTJFU-QGZVFWFLSA-N 0 0 286.419 3.673 50 0 CHAARN CC(C)CCCCCc1ncncc1Br ZINC000015021324 567870414 /nfs/dbraw/zinc/87/04/14/567870414.db2.gz JUDRIUUSDXZSPY-UHFFFAOYSA-N 0 0 271.202 3.998 50 0 CHAARN O=C(CCc1ccco1)Nc1cccc2c1CCCC2 ZINC000015315586 567870582 /nfs/dbraw/zinc/87/05/82/567870582.db2.gz JIJCFWXIUNTRNF-UHFFFAOYSA-N 0 0 269.344 3.730 50 0 CHAARN Cc1cc(OCC(=O)Nc2cccnc2)ccc1C(C)C ZINC000015436389 567870653 /nfs/dbraw/zinc/87/06/53/567870653.db2.gz QOOPGXQXDGTFIK-UHFFFAOYSA-N 0 0 284.359 3.531 50 0 CHAARN Cc1cc(C)c(-c2c(Nc3ccccc3)c(=O)c2=O)cc1C ZINC000015725975 567870928 /nfs/dbraw/zinc/87/09/28/567870928.db2.gz SQQDGAVIHQHXRL-UHFFFAOYSA-N 0 0 291.350 3.618 50 0 CHAARN C[C@@H](NC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000015626117 567871225 /nfs/dbraw/zinc/87/12/25/567871225.db2.gz TXPYTVDKXFWOGH-SECBINFHSA-N 0 0 295.169 3.879 50 0 CHAARN Cc1cccc(C(=O)NC[C@@H](C)c2ccccc2)c1C ZINC000015744954 567871235 /nfs/dbraw/zinc/87/12/35/567871235.db2.gz DJMXFJRNBWDDFP-CQSZACIVSA-N 0 0 267.372 3.837 50 0 CHAARN CCC(CC)C(=O)NCc1csc(-c2ccccc2)n1 ZINC000015832431 567871312 /nfs/dbraw/zinc/87/13/12/567871312.db2.gz VNCPDPGCEFAGDF-UHFFFAOYSA-N 0 0 288.416 3.863 50 0 CHAARN Cc1cccc(C(=O)NC[C@H](C)c2ccccc2)c1C ZINC000015744953 567871408 /nfs/dbraw/zinc/87/14/08/567871408.db2.gz DJMXFJRNBWDDFP-AWEZNQCLSA-N 0 0 267.372 3.837 50 0 CHAARN CCOc1ccc(NC(=O)c2cccs2)c2cccnc12 ZINC000015840760 567871458 /nfs/dbraw/zinc/87/14/58/567871458.db2.gz NKKNGGPBVCWFJR-UHFFFAOYSA-N 0 0 298.367 3.947 50 0 CHAARN c1[nH]nc(-c2ccccn2)c1-c1ccnc2ccccc21 ZINC000015894680 567871796 /nfs/dbraw/zinc/87/17/96/567871796.db2.gz IBCXZJCWDGCXQT-UHFFFAOYSA-N 0 0 272.311 3.687 50 0 in-vivo CHAARN O=c1cc[nH]c2cc(OCc3ccccc3)ccc12 ZINC000016124982 567872363 /nfs/dbraw/zinc/87/23/63/567872363.db2.gz KWQRHYWEGFFXKV-UHFFFAOYSA-N 0 0 251.285 3.519 50 0 CHAARN CCCCSc1nnc(C)n1-c1ccc(F)cc1 ZINC000016276324 567872570 /nfs/dbraw/zinc/87/25/70/567872570.db2.gz PFHOWMQTABKSSJ-UHFFFAOYSA-N 0 0 265.357 3.607 50 0 CHAARN O=C(c1ccsc1)N1CC=C(c2ccccc2)CC1 ZINC000000129869 567872581 /nfs/dbraw/zinc/87/25/81/567872581.db2.gz FZJOSMRDGJRKEJ-UHFFFAOYSA-N 0 0 269.369 3.678 50 0 CHAARN Cc1ccc(C)c(CSc2nnnn2-c2ccccc2)c1 ZINC000016285077 567872716 /nfs/dbraw/zinc/87/27/16/567872716.db2.gz JZNBFCSGZOMLIM-UHFFFAOYSA-N 0 0 296.399 3.571 50 0 CHAARN CC1CCN(C(=O)c2csc3ccccc23)CC1 ZINC000016579989 567873367 /nfs/dbraw/zinc/87/33/67/567873367.db2.gz OXNZNQLYLGJSED-UHFFFAOYSA-N 0 0 259.374 3.773 50 0 CHAARN CCn1cnc2cc(-c3ccc(Cl)cc3)sc2c1=O ZINC000016673446 567873401 /nfs/dbraw/zinc/87/34/01/567873401.db2.gz 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COc1cc(C=O)ccc1Oc1ccc(C(F)(F)F)cn1 ZINC000032617187 567886400 /nfs/dbraw/zinc/88/64/00/567886400.db2.gz VTLNKJVCGMTQPL-UHFFFAOYSA-N 0 0 297.232 3.714 50 0 CHAARN Cc1ccc(NC(=O)N2CCC2(C)C)cc1Cl ZINC000072305906 567886609 /nfs/dbraw/zinc/88/66/09/567886609.db2.gz SFEOUWORUQAIST-UHFFFAOYSA-N 0 0 252.745 3.665 50 0 CHAARN Oc1ccc(Br)cc1Cc1ccccc1 ZINC000034067118 567887016 /nfs/dbraw/zinc/88/70/16/567887016.db2.gz CWWDXXXNDJVDRH-UHFFFAOYSA-N 0 0 263.134 3.746 50 0 CHAARN BrC(Br)=Cc1cccs1 ZINC000034396419 567887251 /nfs/dbraw/zinc/88/72/51/567887251.db2.gz VZAKMVINLRXAFZ-UHFFFAOYSA-N 0 0 267.973 3.836 50 0 CHAARN C[C@H](C1CC1)N(C(=O)c1ccc(N)cc1)c1ccccc1 ZINC000000283600 567887254 /nfs/dbraw/zinc/88/72/54/567887254.db2.gz KKLRWUJRFPZVTM-CYBMUJFWSA-N 0 0 280.371 3.714 50 0 CHAARN CC[C@@H](Oc1ccccc1)c1nc(-c2ccncc2)no1 ZINC000002838968 567887269 /nfs/dbraw/zinc/88/72/69/567887269.db2.gz UBHBPIVFMMFVCW-CQSZACIVSA-N 0 0 281.315 3.662 50 0 CHAARN COc1ccc(O[C@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1 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/nfs/dbraw/zinc/91/72/59/567917259.db2.gz JZDILYOWVNQQSM-HWKANZROSA-N 0 0 264.630 3.545 50 0 CHAARN O=C(Cc1cccc2ccccc21)c1ccc(O)cc1O ZINC000000143159 567923761 /nfs/dbraw/zinc/92/37/61/567923761.db2.gz LBEOAAMFAPRYAZ-UHFFFAOYSA-N 0 0 278.307 3.676 50 0 CHAARN COc1ccc(N2C(=O)[C@H](C)SC23CCCCC3)cc1 ZINC000000205362 567924955 /nfs/dbraw/zinc/92/49/55/567924955.db2.gz OCDYJTOXHXGYBH-LBPRGKRZSA-N 0 0 291.416 3.824 50 0 CHAARN Cc1cccn2cc(-c3cccc(NC(=O)C(C)C)c3)nc12 ZINC000000203138 567925030 /nfs/dbraw/zinc/92/50/30/567925030.db2.gz KJJMTIDZHZFTCD-UHFFFAOYSA-N 0 0 293.370 3.904 50 0 CHAARN Cc1ccc(N[C@H]2OC(=O)c3ccccc32)c(C)c1 ZINC000000202907 567925103 /nfs/dbraw/zinc/92/51/03/567925103.db2.gz XUFIZFJKGPFUDO-HNNXBMFYSA-N 0 0 253.301 3.585 50 0 CHAARN Cc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 ZINC000000195520 567925111 /nfs/dbraw/zinc/92/51/11/567925111.db2.gz GTWZRQMABNLQKU-UHFFFAOYSA-N 0 0 277.732 3.878 50 0 CHAARN O=C(/C=C/c1ccccc1)Nc1ccc(Cl)cc1 ZINC000000242302 567925387 /nfs/dbraw/zinc/92/53/87/567925387.db2.gz LSOIYQMAEOVIGQ-IZZDOVSWSA-N 0 0 257.720 3.992 50 0 CHAARN CC(=O)c1ccc2[nH]c3ccc(C(C)=O)cc3c2c1 ZINC000000266148 567926047 /nfs/dbraw/zinc/92/60/47/567926047.db2.gz PQLQXNVTTJCZFJ-UHFFFAOYSA-N 0 0 251.285 3.726 50 0 CHAARN O=C(Nc1cccc2cccnc21)c1ccc(F)cc1 ZINC000000290574 567926170 /nfs/dbraw/zinc/92/61/70/567926170.db2.gz MJUMNSKVSKDCLR-UHFFFAOYSA-N 0 0 266.275 3.626 50 0 CHAARN CCOc1nnc(Cc2ccccc2)c2ccccc21 ZINC000000334608 567926904 /nfs/dbraw/zinc/92/69/04/567926904.db2.gz APYGPUAXPXWMDD-UHFFFAOYSA-N 0 0 264.328 3.619 50 0 CHAARN C[NH+](C)Cc1cccc(Cc2cccc(Cl)c2)c1 ZINC000000346556 567927037 /nfs/dbraw/zinc/92/70/37/567927037.db2.gz CCEPELIBLFPAET-UHFFFAOYSA-N 0 0 259.780 3.992 50 0 CHAARN C(=C\c1ccccc1)\c1nn2c(nnc2-c2ccco2)s1 ZINC000033476973 567927272 /nfs/dbraw/zinc/92/72/72/567927272.db2.gz BIXISWUWXHQLJV-HJWRWDBZSA-N 0 0 294.339 3.616 50 0 CHAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl ZINC000100492649 567927533 /nfs/dbraw/zinc/92/75/33/567927533.db2.gz MXYYRKYXXVPHFG-AOOOYVTPSA-N 0 0 298.169 3.673 50 0 CHAARN Cc1ccc(-c2ncc(C(=O)NC(C)C)s2)c(C)c1 ZINC000061341496 567928192 /nfs/dbraw/zinc/92/81/92/567928192.db2.gz MVCFUKCDCPZUQG-UHFFFAOYSA-N 0 0 274.389 3.565 50 0 CHAARN CC[C@@]1(C)Cc2ccccc2C(=CC(=O)N2CCCCC2)N1 ZINC000100806615 567928770 /nfs/dbraw/zinc/92/87/70/567928770.db2.gz LSNISBVAEYVGRM-IBGZPJMESA-N 0 0 298.430 3.603 50 0 CHAARN C[C@@H]1CCc2noc(NC(=O)c3ccccc3Cl)c2C1 ZINC000011914810 567928783 /nfs/dbraw/zinc/92/87/83/567928783.db2.gz GBLRHPXZVYFNEH-SECBINFHSA-N 0 0 290.750 3.705 50 0 CHAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3)no2)cc1 ZINC000011916015 567928919 /nfs/dbraw/zinc/92/89/19/567928919.db2.gz QMHLLCZGTYMPEB-UHFFFAOYSA-N 0 0 294.310 3.603 50 0 CHAARN O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc(O)cc2)cc1 ZINC000001884596 567929264 /nfs/dbraw/zinc/92/92/64/567929264.db2.gz VZRNIVHKBXPVMN-BNRKTOQCSA-N 0 0 268.272 3.716 50 0 CHAARN Cc1ccc(C(=O)N(Cc2ccncc2)C2CC2)cc1C ZINC000050822058 567929438 /nfs/dbraw/zinc/92/94/38/567929438.db2.gz HKMAUXZXDLUXDE-UHFFFAOYSA-N 0 0 280.371 3.503 50 0 CHAARN Fc1ccc(NCc2ccncc2)cc1Br ZINC000133900770 567929473 /nfs/dbraw/zinc/92/94/73/567929473.db2.gz ISMUFDLHWYGPQY-UHFFFAOYSA-N 0 0 281.128 3.595 50 0 CHAARN C[C@H]1N(c2ccc3ccccc3n2)CCC12CCOCC2 ZINC000253430519 567930380 /nfs/dbraw/zinc/93/03/80/567930380.db2.gz QUTPFYXDMQHDGA-CQSZACIVSA-N 0 0 282.387 3.630 50 0 CHAARN CCc1cccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 ZINC000000429499 567930558 /nfs/dbraw/zinc/93/05/58/567930558.db2.gz FDFXWBCAJTWOLP-UHFFFAOYSA-N 0 0 284.359 3.649 50 0 CHAARN CC1=C[C@@H](C)C2(COC3(CCCC3)OC2)[C@@H](C)C1 ZINC000000439662 567930758 /nfs/dbraw/zinc/93/07/58/567930758.db2.gz CVRCHHRUSASDOO-KGLIPLIRSA-N 0 0 250.382 3.912 50 0 biogenic CHAARN COc1ccccc1/C=C1\N=C(C2CCCCC2)OC1=O ZINC000000430527 567930762 /nfs/dbraw/zinc/93/07/62/567930762.db2.gz DKACHWGOEVRXGD-KAMYIIQDSA-N 0 0 285.343 3.572 50 0 CHAARN Clc1ccccc1NCn1cnc2ccccc21 ZINC000004019634 567932547 /nfs/dbraw/zinc/93/25/47/567932547.db2.gz HPARHCNULFSZAP-UHFFFAOYSA-N 0 0 257.724 3.759 50 0 CHAARN CC[C@@H](C)c1cc(C(=O)N2CCC[C@H]2C2CCCC2)on1 ZINC000152025095 567932560 /nfs/dbraw/zinc/93/25/60/567932560.db2.gz JTDCSXKRLMFPCK-DOMZBBRYSA-N 0 0 290.407 3.983 50 0 CHAARN Cc1cc(C)cc(OCC(=O)Nc2ccccc2C)c1 ZINC000000128675 567935475 /nfs/dbraw/zinc/93/54/75/567935475.db2.gz APUVNYOAOSMYFL-UHFFFAOYSA-N 0 0 269.344 3.629 50 0 CHAARN CCOc1cc(CNc2ccccc2)ccc1OC ZINC000000263337 567935630 /nfs/dbraw/zinc/93/56/30/567935630.db2.gz CUELNQLPVIDFLE-UHFFFAOYSA-N 0 0 257.333 3.706 50 0 CHAARN O=C(Nc1ccccc1OC(F)F)c1ccc(F)cc1 ZINC000000082147 567935651 /nfs/dbraw/zinc/93/56/51/567935651.db2.gz GKVWXHHCGVTSIY-UHFFFAOYSA-N 0 0 281.233 3.679 50 0 CHAARN COc1ccc(NCc2c(F)cccc2F)c(OC)c1 ZINC000000212674 567935748 /nfs/dbraw/zinc/93/57/48/567935748.db2.gz QIMHXBWPPAYYOZ-UHFFFAOYSA-N 0 0 279.286 3.594 50 0 CHAARN CCOC(=O)c1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 ZINC000000360164 567935973 /nfs/dbraw/zinc/93/59/73/567935973.db2.gz VDQZOOATNLKLHD-UHFFFAOYSA-N 0 0 297.354 3.732 50 0 CHAARN CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000000313196 567936004 /nfs/dbraw/zinc/93/60/04/567936004.db2.gz VJFRKFYDSQXEDH-UHFFFAOYSA-N 0 0 286.331 3.517 50 0 CHAARN CC(C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000000314417 567936071 /nfs/dbraw/zinc/93/60/71/567936071.db2.gz NNEAOZHBILWNQC-UHFFFAOYSA-N 0 0 288.372 3.595 50 0 CHAARN Cn1c2ccccc2nc1NCc1ccc(Cl)cc1 ZINC000000530926 567936187 /nfs/dbraw/zinc/93/61/87/567936187.db2.gz DEVXAIXAWDECLD-UHFFFAOYSA-N 0 0 271.751 3.839 50 0 CHAARN O=C(Nc1ccccc1N1CCCCC1)c1cccs1 ZINC000000466297 567936499 /nfs/dbraw/zinc/93/64/99/567936499.db2.gz YSPJYULNIMGRLR-UHFFFAOYSA-N 0 0 286.400 3.991 50 0 CHAARN O=C(Nc1cccc2ncccc21)C(Cl)(Cl)Cl ZINC000000556488 567936662 /nfs/dbraw/zinc/93/66/62/567936662.db2.gz UJBFGXZADOGCDH-UHFFFAOYSA-N 0 0 289.549 3.544 50 0 CHAARN CCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2C)cc1 ZINC000000588431 567936711 /nfs/dbraw/zinc/93/67/11/567936711.db2.gz DLEPXNCVQFXWKT-UHFFFAOYSA-N 0 0 297.354 3.732 50 0 CHAARN CCC(C)(C)c1ccc(OCC(N)=O)c(C(C)(C)CC)c1 ZINC000000616184 567936821 /nfs/dbraw/zinc/93/68/21/567936821.db2.gz RGVFYVXMBGSVCJ-UHFFFAOYSA-N 0 0 291.435 3.926 50 0 CHAARN O=C1S/C(=C\c2ccccc2)C(=O)N1Cc1ccccc1 ZINC000001189287 567937081 /nfs/dbraw/zinc/93/70/81/567937081.db2.gz XSROJBUXQRZBNF-PTNGSMBKSA-N 0 0 295.363 3.923 50 0 CHAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCCC1 ZINC000001124912 567937125 /nfs/dbraw/zinc/93/71/25/567937125.db2.gz WNHMEADERMXPSU-ZDUSSCGKSA-N 0 0 289.419 3.810 50 0 CHAARN COC(=O)Nc1cccc(OCc2sc(C)nc2C)c1 ZINC000081080455 567937187 /nfs/dbraw/zinc/93/71/87/567937187.db2.gz WOFQNDJOVPXWLZ-UHFFFAOYSA-N 0 0 292.360 3.517 50 0 CHAARN O=C(NC=C(Cl)Cl)c1cc(Cl)cc(Cl)c1 ZINC000003129831 567937975 /nfs/dbraw/zinc/93/79/75/567937975.db2.gz JHAPHIGFTVNCEC-UHFFFAOYSA-N 0 0 284.957 4.000 50 0 CHAARN Cc1ccc(NC(=O)CCCc2ccccc2)c(O)c1 ZINC000004666614 567938361 /nfs/dbraw/zinc/93/83/61/567938361.db2.gz IIICGRHQLGIDOP-UHFFFAOYSA-N 0 0 269.344 3.662 50 0 CHAARN COc1c(F)c(F)c2c(c1F)Oc1ccccc1C=N2 ZINC000003156849 567938903 /nfs/dbraw/zinc/93/89/03/567938903.db2.gz LQCJLUULLTVJAF-UHFFFAOYSA-N 0 0 279.217 3.969 50 0 CHAARN O=C(c1ccccc1)N1CCS[C@H](c2ccco2)CC1 ZINC000207006466 567939107 /nfs/dbraw/zinc/93/91/07/567939107.db2.gz LEUDZYDDCMFHKT-HNNXBMFYSA-N 0 0 287.384 3.600 50 0 CHAARN CCn1c2ccccc2c2cc([C@@H](C)NC=O)ccc21 ZINC000000485736 567939190 /nfs/dbraw/zinc/93/91/90/567939190.db2.gz YUCFQWHWDZHHFY-GFCCVEGCSA-N 0 0 266.344 3.621 50 0 biogenic CHAARN COc1ccc2c(c1)C(=O)C[C@@H](c1ccc(C)cc1)O2 ZINC000000489454 567939640 /nfs/dbraw/zinc/93/96/40/567939640.db2.gz MVTYGNSQNJHOGL-KRWDZBQOSA-N 0 0 268.312 3.710 50 0 biogenic CHAARN O=C(C[C@H](Cc1ccccc1)c1ccco1)N1CCCC1 ZINC000000488834 567939714 /nfs/dbraw/zinc/93/97/14/567939714.db2.gz JROCYBGKCQAODK-INIZCTEOSA-N 0 0 283.371 3.618 50 0 biogenic CHAARN Cc1cccc(C)c1NC(=O)N1CCC=C(Cl)C1 ZINC000583651819 567939968 /nfs/dbraw/zinc/93/99/68/567939968.db2.gz UBDTXHZLACCTMK-UHFFFAOYSA-N 0 0 264.756 3.664 50 0 CHAARN CCOc1nc(-c2ccccc2)ccc1-c1noc(C)n1 ZINC000000498714 567940008 /nfs/dbraw/zinc/94/00/08/567940008.db2.gz RMMYJUQKLROKRM-UHFFFAOYSA-N 0 0 281.315 3.506 50 0 CHAARN NC(=O)C/C=C1\c2ccccc2CSc2ccccc21 ZINC000101131996 567940782 /nfs/dbraw/zinc/94/07/82/567940782.db2.gz ZJOVHZZXINTRHL-NTEUORMPSA-N 0 0 281.380 3.599 50 0 CHAARN CN(CC1CCCCC1)C(=O)Cc1c[nH]c2ccccc12 ZINC000012972832 567940942 /nfs/dbraw/zinc/94/09/42/567940942.db2.gz UABVXAUPDOZMIK-UHFFFAOYSA-N 0 0 284.403 3.749 50 0 CHAARN CC[C@H](Nc1c(=O)c(=O)c1-c1ccccc1)c1cccs1 ZINC000101982267 567941429 /nfs/dbraw/zinc/94/14/29/567941429.db2.gz XOAWCVMZIWKTBU-LBPRGKRZSA-N 0 0 297.379 3.574 50 0 CHAARN C[C@@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000000508163 567941448 /nfs/dbraw/zinc/94/14/48/567941448.db2.gz DWALGFCPTNJCMB-SNVBAGLBSA-N 0 0 299.761 3.707 50 0 CHAARN CC(C)N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000102243268 567941521 /nfs/dbraw/zinc/94/15/21/567941521.db2.gz YDECQLVBUANAPC-UHFFFAOYSA-N 0 0 299.399 3.780 50 0 CHAARN CNc1ccc(Br)cc1[C@H](O)c1ccccc1 ZINC000000510185 567941617 /nfs/dbraw/zinc/94/16/17/567941617.db2.gz UANNCZVAVVEVCB-CQSZACIVSA-N 0 0 292.176 3.573 50 0 CHAARN CC(C)Oc1ccc(C(=O)Cc2ccccc2)cc1 ZINC000000543382 567942676 /nfs/dbraw/zinc/94/26/76/567942676.db2.gz ATYVCAASBCTFDK-UHFFFAOYSA-N 0 0 254.329 3.899 50 0 CHAARN Cc1ccc([C@H]2CSCCN2C(=O)c2cccs2)o1 ZINC000081347752 567942849 /nfs/dbraw/zinc/94/28/49/567942849.db2.gz ZEIDFZHKLFIBKV-LLVKDONJSA-N 0 0 293.413 3.580 50 0 CHAARN Cc1cccc2[nH]c3c(ncnc3N3C[C@H](C)C[C@@H](C)C3)c21 ZINC000000542888 567942852 /nfs/dbraw/zinc/94/28/52/567942852.db2.gz GZLZIFHKCXYDCJ-VXGBXAGGSA-N 0 0 294.402 3.902 50 0 CHAARN C[C@@H]1CCc2nc(NC(=O)c3ccc(F)cc3)sc2C1 ZINC000000567834 567943191 /nfs/dbraw/zinc/94/31/91/567943191.db2.gz SOAISKZTRDTZDX-SECBINFHSA-N 0 0 290.363 3.659 50 0 CHAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cccs1 ZINC000015199068 567943873 /nfs/dbraw/zinc/94/38/73/567943873.db2.gz FUWSXZQVEKYZFB-LLVKDONJSA-N 0 0 293.388 3.854 50 0 CHAARN CC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2F)c1 ZINC000019422886 567944657 /nfs/dbraw/zinc/94/46/57/567944657.db2.gz OJVBGHMKEHJBKT-UHFFFAOYSA-N 0 0 291.709 3.934 50 0 CHAARN Cc1nnc(SCC(=O)c2ccc(Cl)s2)s1 ZINC000019849262 567944905 /nfs/dbraw/zinc/94/49/05/567944905.db2.gz CMSRMGIINYKYTJ-UHFFFAOYSA-N 0 0 290.822 3.536 50 0 CHAARN Cc1ccc(C(=O)N2CCc3sccc3C2)cc1C ZINC000012215910 567945788 /nfs/dbraw/zinc/94/57/88/567945788.db2.gz UZLXDXOZRREDKL-UHFFFAOYSA-N 0 0 271.385 3.563 50 0 CHAARN Cc1ccc(C(=O)N2CCc3sccc3C2)c(C)c1 ZINC000012215855 567945791 /nfs/dbraw/zinc/94/57/91/567945791.db2.gz YZMXFWGIBSDQJL-UHFFFAOYSA-N 0 0 271.385 3.563 50 0 CHAARN COc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c2ccccc12 ZINC000049580948 567946801 /nfs/dbraw/zinc/94/68/01/567946801.db2.gz GMCKZEHFYUNGTD-KBPBESRZSA-N 0 0 297.398 3.967 50 0 CHAARN Cc1ccc(N[C@@H]2OC(=O)c3c2c2ccccc2n3C)cc1 ZINC000049543260 567946857 /nfs/dbraw/zinc/94/68/57/567946857.db2.gz KKJARUYNVAIKLJ-QGZVFWFLSA-N 0 0 292.338 3.768 50 0 biogenic CHAARN CCOc1ccc(NC(=O)c2ccc3oc(C)nc3c2)cc1 ZINC000049677141 567946960 /nfs/dbraw/zinc/94/69/60/567946960.db2.gz ZEHGKGPZDSDUKU-UHFFFAOYSA-N 0 0 296.326 3.787 50 0 CHAARN CSc1ccc(CN2CCOC3(CCCC3)C2)cc1 ZINC000215561398 567947214 /nfs/dbraw/zinc/94/72/14/567947214.db2.gz OYXPPALLSYFBTK-UHFFFAOYSA-N 0 0 277.433 3.554 50 0 CHAARN C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1F ZINC000023543576 567948672 /nfs/dbraw/zinc/94/86/72/567948672.db2.gz VUAGNASKYDVOAY-VIFPVBQESA-N 0 0 293.725 3.676 50 0 CHAARN O=C(N[C@H]1CCCc2ccccc21)c1ccnc(Cl)c1 ZINC000025384771 567949072 /nfs/dbraw/zinc/94/90/72/567949072.db2.gz UEHZYANMCDYRNG-AWEZNQCLSA-N 0 0 286.762 3.542 50 0 CHAARN CC1(C)CC2(CC2)c2cc(C=O)cc(C3CC3)c2O1 ZINC000222973482 567949333 /nfs/dbraw/zinc/94/93/33/567949333.db2.gz ZOBNEOZRDGHHTP-UHFFFAOYSA-N 0 0 256.345 3.969 50 0 CHAARN Cc1cc(OCCOc2ccccc2C(F)(F)F)ccn1 ZINC000225543314 567953999 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/nfs/dbraw/zinc/23/20/60/570232060.db2.gz RBQANZFFIULCIZ-MRVPVSSYSA-N 0 0 268.769 3.541 50 0 CHAARN Cc1cccc(-n2c(CNc3ccccc3)n[n-]c2=S)c1 ZINC000026439374 570231963 /nfs/dbraw/zinc/23/19/63/570231963.db2.gz AKZQWNSQASOQOH-UHFFFAOYSA-N 0 0 296.399 3.850 50 0 CHAARN CO[C@@H]1C2=C(CCCC2)C(=O)N1[C@@H]1CCCc2ccccc21 ZINC000004600221 570235755 /nfs/dbraw/zinc/23/57/55/570235755.db2.gz ZWFZGGCYVMIVTJ-IEBWSBKVSA-N 0 0 297.398 3.749 50 0 CHAARN Cc1ccc(C)c(N2CCN(Cc3ccccc3F)CC2)c1 ZINC000055292261 570242531 /nfs/dbraw/zinc/24/25/31/570242531.db2.gz GKOWDIBFSJVVPX-UHFFFAOYSA-N 0 0 298.405 3.765 50 0 CHAARN Cc1nn([C@H](C)c2ccccc2)c2nc(C)cc(C)c12 ZINC000004671050 570247797 /nfs/dbraw/zinc/24/77/97/570247797.db2.gz FJHZPOBXHSZSHX-CQSZACIVSA-N 0 0 265.360 3.966 50 0 CHAARN O=C(Nc1cccc(Cl)c1)c1ccn(-c2ccccc2)n1 ZINC000033145537 570249028 /nfs/dbraw/zinc/24/90/28/570249028.db2.gz KCRMZPBYIYOQGG-UHFFFAOYSA-N 0 0 297.745 3.778 50 0 CHAARN c1ccc2[nH]c(CSc3ncnc4ccccc43)nc2c1 ZINC000000024748 570249307 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/nfs/dbraw/zinc/27/92/62/570279262.db2.gz TYZMFTNHVKOENC-NSHDSACASA-N 0 0 275.735 3.746 50 0 CHAARN Cc1cc(C)cc(OCc2nc(-c3ccccc3)no2)c1 ZINC000000509748 570283882 /nfs/dbraw/zinc/28/38/82/570283882.db2.gz UFRFCHNDZWGWIB-UHFFFAOYSA-N 0 0 280.327 3.932 50 0 CHAARN C[C@H](NC(=O)c1ccccc1)c1cc2ccccc2o1 ZINC000014245499 570287094 /nfs/dbraw/zinc/28/70/94/570287094.db2.gz BYDVMTHWYYBYCE-LBPRGKRZSA-N 0 0 265.312 3.924 50 0 CHAARN CC(C)C(=O)Nc1cccc(-c2cnc3ccccc3n2)c1 ZINC000000555892 570287736 /nfs/dbraw/zinc/28/77/36/570287736.db2.gz SNPSJUKUXFKFEN-UHFFFAOYSA-N 0 0 291.354 3.891 50 0 CHAARN CN(c1nnc(C(F)F)o1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000298856634 570292581 /nfs/dbraw/zinc/29/25/81/570292581.db2.gz JGILGTCNPVVVFK-NWDGAFQWSA-N 0 0 293.317 3.780 50 0 CHAARN Cc1ccc([C@H](C)NC(=O)NCc2ccc(Cl)s2)o1 ZINC000048062417 570296169 /nfs/dbraw/zinc/29/61/69/570296169.db2.gz KQYRUMCQPTVIHH-VIFPVBQESA-N 0 0 298.795 3.863 50 0 CHAARN Cc1nc2ccc(NC(=O)OCC(F)(F)F)cc2s1 ZINC000048264408 570296527 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/nfs/dbraw/zinc/30/04/00/570300400.db2.gz NKOBFAGTSXDAJO-CQSZACIVSA-N 0 0 258.365 3.781 50 0 CHAARN Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccncc2)s1 ZINC000049338056 570300414 /nfs/dbraw/zinc/30/04/14/570300414.db2.gz BRBCDZOFILQIHL-LLVKDONJSA-N 0 0 275.377 3.676 50 0 CHAARN CCOc1ccc(NC(=O)c2ccn(C3CCCC3)n2)cc1 ZINC000028304319 570301817 /nfs/dbraw/zinc/30/18/17/570301817.db2.gz QEDOCPVJBDQQEA-UHFFFAOYSA-N 0 0 299.374 3.649 50 0 CHAARN Cc1ccc(-n2cc([O-])c(-c3ccc(F)cc3)n2)cc1 ZINC000215850763 570304256 /nfs/dbraw/zinc/30/42/56/570304256.db2.gz IHBGYSWYZSZKRO-UHFFFAOYSA-N 0 0 268.291 3.692 50 0 CHAARN O=C1C=CC(=NNc2ccc3ccccc3c2)c2cccnc21 ZINC000245285988 570304260 /nfs/dbraw/zinc/30/42/60/570304260.db2.gz ZYXCOUHVQCMJNH-UHFFFAOYSA-N 0 0 299.333 3.804 50 0 CHAARN CN(CCC[C@H]1CCCO1)C(=O)c1cc(F)ccc1Cl ZINC000219119282 570309401 /nfs/dbraw/zinc/30/94/01/570309401.db2.gz DXQLINBHWPNIOI-LBPRGKRZSA-N 0 0 299.773 3.510 50 0 CHAARN c1ccc(Oc2cccc(C[NH2+]C[C@@H]3CCCO3)c2)cc1 ZINC000000810263 570309792 /nfs/dbraw/zinc/30/97/92/570309792.db2.gz HIQAVZNLSCKULU-SFHVURJKSA-N 0 0 283.371 3.748 50 0 CHAARN O=C(CCCCCn1cccc1)N1CCc2ccccc2C1 ZINC000604419219 570310027 /nfs/dbraw/zinc/31/00/27/570310027.db2.gz PFQWOEJBLAJPHT-UHFFFAOYSA-N 0 0 296.414 3.633 50 0 CHAARN CCC[C@@H]1C(=O)C[C@H](c2ccco2)N[C@H]1c1ccco1 ZINC000013468210 570317359 /nfs/dbraw/zinc/31/73/59/570317359.db2.gz LFJPCHSRZIMWGY-XHBSWPGZSA-N 0 0 273.332 3.634 50 0 CHAARN Cc1ccc(CNCc2ccc(Br)o2)cc1F ZINC000237746748 570319399 /nfs/dbraw/zinc/31/93/99/570319399.db2.gz BJWKZJTWPRFFIR-UHFFFAOYSA-N 0 0 298.155 3.779 50 0 CHAARN O=C(c1ccco1)N(c1ccccn1)C1CCCCC1 ZINC000003230559 570320010 /nfs/dbraw/zinc/32/00/10/570320010.db2.gz QCEXNAXHQMAGKK-UHFFFAOYSA-N 0 0 270.332 3.654 50 0 CHAARN CC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCC1 ZINC000025319256 570323825 /nfs/dbraw/zinc/32/38/25/570323825.db2.gz RQOWABNOXIMLKV-UHFFFAOYSA-N 0 0 293.366 3.950 50 0 CHAARN Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CCCC(=O)[O-])cc1 ZINC000151157623 570325135 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O=C(Oc1cccc2ncccc21)c1ccccc1F ZINC000000055196 169520041 /nfs/dbraw/zinc/52/00/41/169520041.db2.gz WZEZDDJKYOQYEB-UHFFFAOYSA-N 0 0 267.259 3.593 50 0 CHAARN CCCc1c(C)nc2scc(-c3ccccc3)n2c1=O ZINC000000072864 169526318 /nfs/dbraw/zinc/52/63/18/169526318.db2.gz JJHHZEZSSONYJU-UHFFFAOYSA-N 0 0 284.384 3.684 50 0 CHAARN c1ccc(CNc2nc(-c3ccccc3)ns2)cc1 ZINC000000074778 169527353 /nfs/dbraw/zinc/52/73/53/169527353.db2.gz NUOCPQITAQQHRD-UHFFFAOYSA-N 0 0 267.357 3.817 50 0 CHAARN Cc1nc2ccc(NC(=O)c3ccccc3)cc2s1 ZINC000000086785 169531580 /nfs/dbraw/zinc/53/15/80/169531580.db2.gz HAJUZHWOPHZKNZ-UHFFFAOYSA-N 0 0 268.341 3.857 50 0 CHAARN COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)cc1 ZINC000000094184 169533762 /nfs/dbraw/zinc/53/37/62/169533762.db2.gz YKSHEDQLBNEZKL-KPKJPENVSA-N 0 0 267.328 3.656 50 0 biogenic CHAARN CCCc1ccc(N2C(=O)CS[C@@H]2c2cccnc2)cc1 ZINC000000100192 169536029 /nfs/dbraw/zinc/53/60/29/169536029.db2.gz XAAZVFWBHOTTDF-QGZVFWFLSA-N 0 0 298.411 3.813 50 0 CHAARN CSc1nnc(NCc2cccc(Cl)c2)s1 ZINC000000101198 169536169 /nfs/dbraw/zinc/53/61/69/169536169.db2.gz XKYFCSNWLAVSKV-UHFFFAOYSA-N 0 0 271.798 3.526 50 0 CHAARN O=C(c1oc2ccccc2c1-n1cccc1)C1CC1 ZINC000000105841 169537909 /nfs/dbraw/zinc/53/79/09/169537909.db2.gz YVHQIFBFGFCNOR-UHFFFAOYSA-N 0 0 251.285 3.816 50 0 CHAARN Cc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)no1 ZINC000000121969 169543551 /nfs/dbraw/zinc/54/35/51/169543551.db2.gz WAICQMRGKSHQEI-UHFFFAOYSA-N 0 0 295.220 3.719 50 0 CHAARN OC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000000139180 169550921 /nfs/dbraw/zinc/55/09/21/169550921.db2.gz UAHDNTGJXXHAGF-UHFFFAOYSA-N 0 0 270.172 3.706 50 0 CHAARN Cc1cc2c(cc1C)[C@@H](c1cccc(F)c1)CC(=O)N2 ZINC000000139784 169551055 /nfs/dbraw/zinc/55/10/55/169551055.db2.gz BHTBGORNGVAWEX-CQSZACIVSA-N 0 0 269.319 3.917 50 0 CHAARN Cc1cc(Br)c(N)c(Br)c1Cl ZINC000000152803 169556309 /nfs/dbraw/zinc/55/63/09/169556309.db2.gz XBSGYHXODZBFBM-UHFFFAOYSA-N 0 0 299.393 3.756 50 0 CHAARN CN1c2ccccc2S[C@@H](c2ccsc2)CC1=O ZINC000000172414 169563245 /nfs/dbraw/zinc/56/32/45/169563245.db2.gz XHZINFIDIOZDDM-CYBMUJFWSA-N 0 0 275.398 3.948 50 0 CHAARN Cc1cc(C)c(C(N)=O)c(Nc2cccc3ccccc32)n1 ZINC000000186075 169567756 /nfs/dbraw/zinc/56/77/56/169567756.db2.gz RSKDNGOGPUOHMI-UHFFFAOYSA-N 0 0 291.354 3.694 50 0 CHAARN O=C1CS[C@H](c2cccc(F)c2)N1c1ccccc1 ZINC000000180319 169566220 /nfs/dbraw/zinc/56/62/20/169566220.db2.gz ADVJUIDVQIDDNK-OAHLLOKOSA-N 0 0 273.332 3.604 50 0 CHAARN CC(C)Cc1nc2sc3c(c2c(=O)o1)CCCCC3 ZINC000000235394 169582162 /nfs/dbraw/zinc/58/21/62/169582162.db2.gz HBEYHRWFORHFAV-UHFFFAOYSA-N 0 0 277.389 3.717 50 0 CHAARN CC(C)N(C(=O)Nc1cccc(Cl)c1)C(C)C ZINC000000239609 169583438 /nfs/dbraw/zinc/58/34/38/169583438.db2.gz DCLJPFHSPJTWOC-UHFFFAOYSA-N 0 0 254.761 3.991 50 0 CHAARN COc1cccc(C(=O)Nc2nc3ccc(C)cc3s2)c1 ZINC000000253435 169587957 /nfs/dbraw/zinc/58/79/57/169587957.db2.gz CAULMPCRVFAFAN-UHFFFAOYSA-N 0 0 298.367 3.866 50 0 CHAARN Cc1cc(C)n(C(=O)C(c2ccccc2)c2ccccc2)n1 ZINC000000260755 169589857 /nfs/dbraw/zinc/58/98/57/169589857.db2.gz LRHWFIRIQMURNE-UHFFFAOYSA-N 0 0 290.366 3.972 50 0 CHAARN O=C(N1CCCCC1)C1(c2ccccc2)CCCC1 ZINC000000270890 169593332 /nfs/dbraw/zinc/59/33/32/169593332.db2.gz HQFHUOULUZHWII-UHFFFAOYSA-N 0 0 257.377 3.511 50 0 CHAARN COc1ccc(-c2cc(=O)c3ccc(C)cc3o2)cc1 ZINC000000280871 169596195 /nfs/dbraw/zinc/59/61/95/169596195.db2.gz WFROFIVUBLIRJP-UHFFFAOYSA-N 0 0 266.296 3.777 50 0 biogenic CHAARN c1ccc(Nc2ncnc3sc4c(c32)CCC4)cc1 ZINC000000279594 169595821 /nfs/dbraw/zinc/59/58/21/169595821.db2.gz AIQSDPDFFQAZSE-UHFFFAOYSA-N 0 0 267.357 3.924 50 0 CHAARN Cc1ccc(OCC(=O)NC2CCCCCC2)cc1C ZINC000000302877 169602285 /nfs/dbraw/zinc/60/22/85/169602285.db2.gz ZJSMHTPTGVPSIB-UHFFFAOYSA-N 0 0 275.392 3.521 50 0 CHAARN COc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000000297476 169601066 /nfs/dbraw/zinc/60/10/66/169601066.db2.gz AXSCWHZIGAXLNU-UHFFFAOYSA-N 0 0 262.312 3.819 50 0 CHAARN CC(C)n1c2ccccc2nc1[C@@H](O)c1ccccc1 ZINC000000305317 169603355 /nfs/dbraw/zinc/60/33/55/169603355.db2.gz CCGMKVCKAXTOGX-INIZCTEOSA-N 0 0 266.344 3.699 50 0 CHAARN O=C(Nc1cc2ccccc2oc1=O)c1ccc(Cl)cc1 ZINC000000310239 169604694 /nfs/dbraw/zinc/60/46/94/169604694.db2.gz UUYHMRQNUHUBAC-UHFFFAOYSA-N 0 0 299.713 3.699 50 0 CHAARN COc1ccccc1NC(=O)[C@H](C)Sc1ccccc1 ZINC000000314664 169606194 /nfs/dbraw/zinc/60/61/94/169606194.db2.gz GEFCCQPFUROKCG-LBPRGKRZSA-N 0 0 287.384 3.815 50 0 CHAARN Brc1cc2ccccc2nc1Br ZINC000000331127 169609273 /nfs/dbraw/zinc/60/92/73/169609273.db2.gz KWVPZTJLHQKCKD-UHFFFAOYSA-N 0 0 286.954 3.760 50 0 CHAARN C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000000331325 169609311 /nfs/dbraw/zinc/60/93/11/169609311.db2.gz VTHLXPBHMGKLQV-LLVKDONJSA-N 0 0 275.348 3.945 50 0 CHAARN Cc1c2ccc(O)cc2oc1C(=O)c1ccccc1 ZINC000000337362 169610196 /nfs/dbraw/zinc/61/01/96/169610196.db2.gz SLMKWQHNVPQJAE-UHFFFAOYSA-N 0 0 252.269 3.678 50 0 CHAARN CCN(CC)c1nc(-c2ccncc2)nc2ccccc21 ZINC000000337363 169610317 /nfs/dbraw/zinc/61/03/17/169610317.db2.gz IESLVRFIHGPJGL-UHFFFAOYSA-N 0 0 278.359 3.538 50 0 CHAARN COC(=O)c1cc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC000000343653 169612602 /nfs/dbraw/zinc/61/26/02/169612602.db2.gz MSMMQTKWQFKLQQ-UHFFFAOYSA-N 0 0 290.322 3.597 50 0 CHAARN COc1ccc(C(=O)COc2ccc(C)c(C)c2)cc1 ZINC000000353654 169615649 /nfs/dbraw/zinc/61/56/49/169615649.db2.gz OARCRTFUOJEBCV-UHFFFAOYSA-N 0 0 270.328 3.574 50 0 CHAARN Cc1nn(-c2ccccc2)c(C)c1[S@@](=O)c1ccccc1 ZINC000000358146 169616440 /nfs/dbraw/zinc/61/64/40/169616440.db2.gz QNISIXSGLJJTGP-OAQYLSRUSA-N 0 0 296.395 3.656 50 0 CHAARN CC[C@@H](C(=O)Nc1ccccc1O)c1ccccc1 ZINC000000363594 169618107 /nfs/dbraw/zinc/61/81/07/169618107.db2.gz KQTZLQVRSIKEDW-CYBMUJFWSA-N 0 0 255.317 3.525 50 0 CHAARN COc1cc(OC)c(NC(=O)c2ccccc2)cc1Cl ZINC000000361708 169617224 /nfs/dbraw/zinc/61/72/24/169617224.db2.gz SAJKJVHSYRFBGH-UHFFFAOYSA-N 0 0 291.734 3.610 50 0 CHAARN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccco1 ZINC000000397823 169630154 /nfs/dbraw/zinc/63/01/54/169630154.db2.gz QFKNOCSHQDYDMM-UHFFFAOYSA-N 0 0 291.306 3.763 50 0 CHAARN O=C(COc1ccccc1)Nc1cccc2ccccc21 ZINC000000398815 169630741 /nfs/dbraw/zinc/63/07/41/169630741.db2.gz CNLKWENHJGIEDX-UHFFFAOYSA-N 0 0 277.323 3.857 50 0 CHAARN Cc1ccc(Cl)cc1NC(=O)Oc1cccnc1 ZINC000000395365 169628871 /nfs/dbraw/zinc/62/88/71/169628871.db2.gz MDBFVYDXNACJJX-UHFFFAOYSA-N 0 0 262.696 3.654 50 0 CHAARN CCOc1ccc(NCc2ccc(OC)c(OC)c2)cc1 ZINC000000395054 169628949 /nfs/dbraw/zinc/62/89/49/169628949.db2.gz VPCKXSWBIUDZBT-UHFFFAOYSA-N 0 0 287.359 3.715 50 0 CHAARN Cn1c(SCc2ccccc2F)nnc1-c1ccco1 ZINC000000416141 169634894 /nfs/dbraw/zinc/63/48/94/169634894.db2.gz HBHOELNKEBNPIG-UHFFFAOYSA-N 0 0 289.335 3.507 50 0 CHAARN O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1cccs1 ZINC000000430966 169638663 /nfs/dbraw/zinc/63/86/63/169638663.db2.gz LJXHBMXIMGIDTL-HUKVCQRGSA-N 0 0 281.336 3.758 50 0 CHAARN CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)OC)C1 ZINC000000432973 169639137 /nfs/dbraw/zinc/63/91/37/169639137.db2.gz LPKSLOJMDBPGDS-VIFPVBQESA-N 0 0 281.421 3.658 50 0 CHAARN CCOc1ccc(NCCC(=O)c2cccs2)cc1 ZINC000000446363 169643040 /nfs/dbraw/zinc/64/30/40/169643040.db2.gz DKVGYCOOGZSUTR-UHFFFAOYSA-N 0 0 275.373 3.832 50 0 CHAARN Cc1cc(NCc2ccccn2)ccc1Br ZINC000000438713 169641036 /nfs/dbraw/zinc/64/10/36/169641036.db2.gz UOHWUQBNVLHKLT-UHFFFAOYSA-N 0 0 277.165 3.765 50 0 CHAARN CCCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000000442153 169641535 /nfs/dbraw/zinc/64/15/35/169641535.db2.gz RECZOIWOBRWZEX-UHFFFAOYSA-N 0 0 251.329 3.996 50 0 CHAARN Cc1cc(=O)oc2ccc(OCc3ccccc3)cc12 ZINC000000449621 169643513 /nfs/dbraw/zinc/64/35/13/169643513.db2.gz QYPOZUXIDCXIRL-UHFFFAOYSA-N 0 0 266.296 3.680 50 0 CHAARN COc1cc(NC(=O)c2ccccc2C)ccc1Cl ZINC000000463934 169647443 /nfs/dbraw/zinc/64/74/43/169647443.db2.gz PLTCTMUPHWVZOP-UHFFFAOYSA-N 0 0 275.735 3.909 50 0 CHAARN Cc1ccc(Cl)cc1NC(=O)CSc1ccccn1 ZINC000000468507 169648970 /nfs/dbraw/zinc/64/89/70/169648970.db2.gz IUZFUAOHLGWORM-UHFFFAOYSA-N 0 0 292.791 3.774 50 0 CHAARN O=C(/C=C/c1c(F)cccc1Cl)Nc1ccncc1 ZINC000000476373 169651230 /nfs/dbraw/zinc/65/12/30/169651230.db2.gz NBHFWMITXRYMCK-SNAWJCMRSA-N 0 0 276.698 3.526 50 0 CHAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2O ZINC000004023795 184528655 /nfs/dbraw/zinc/52/86/55/184528655.db2.gz CBMYJHIOYJEBSB-CUZKMJQKSA-N 0 0 292.463 3.751 50 0 endogenous,in-man CHAARN CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](c3ccccc3)[C@@H]1[C@H]2C ZINC000004026977 184528823 /nfs/dbraw/zinc/52/88/23/184528823.db2.gz PLYQNNOXZOYWGG-QJESEZNXSA-N 0 0 272.388 3.585 50 0 biogenic CHAARN COc1cc2c(cc1NC(C)=O)oc1ccccc12 ZINC000004037405 184530001 /nfs/dbraw/zinc/53/00/01/184530001.db2.gz UWDVDLWULGRWGZ-UHFFFAOYSA-N 0 0 255.273 3.553 50 0 CHAARN Cc1oc2ccc(O)cc2c1[C@@H](O)c1ccccc1 ZINC000000485471 169654061 /nfs/dbraw/zinc/65/40/61/169654061.db2.gz ZOLVCWFRMNNUJZ-INIZCTEOSA-N 0 0 254.285 3.529 50 0 biogenic CHAARN C[C@@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCCN2C1=O ZINC000000488412 169654711 /nfs/dbraw/zinc/65/47/11/169654711.db2.gz PIQARLQHRWXSLS-XIKOKIGWSA-N 0 0 282.387 3.588 50 0 biogenic CHAARN C[C@H](NC(=O)NCc1ccoc1)c1ccc(Cl)s1 ZINC000044970087 184563203 /nfs/dbraw/zinc/56/32/03/184563203.db2.gz FIQQLLLNIMEYPS-QMMMGPOBSA-N 0 0 284.768 3.555 50 0 CHAARN Fc1ccc(-c2ccc(Br)cn2)c(F)c1 ZINC000090549664 184616270 /nfs/dbraw/zinc/61/62/70/184616270.db2.gz PGLAAMSCAONZPL-UHFFFAOYSA-N 0 0 270.076 3.789 50 0 CHAARN C[C@@H]1N(O)[C@@H](c2ccc(Cl)cc2Cl)N(O)C1(C)C ZINC000000510373 169659137 /nfs/dbraw/zinc/65/91/37/169659137.db2.gz QAFLQITYULGKSZ-WRWORJQWSA-N 0 0 291.178 3.555 50 0 CHAARN Cc1nnc([C@H](C)Oc2cccc(C(F)(F)F)c2)o1 ZINC000096428791 256756695 /nfs/dbraw/zinc/75/66/95/256756695.db2.gz PUDVQENYQFFISW-ZETCQYMHSA-N 0 0 272.226 3.537 50 0 CHAARN O=C(/C=C\c1ccco1)N(Cc1cccs1)C1CC1 ZINC000096305416 256774134 /nfs/dbraw/zinc/77/41/34/256774134.db2.gz YEMFPHCUTHNKJA-FPLPWBNLSA-N 0 0 273.357 3.546 50 0 CHAARN CSCC[C@@H](C)NC(=O)c1ccccc1C(F)(F)F ZINC000096412315 256767002 /nfs/dbraw/zinc/76/70/02/256767002.db2.gz FNHSLMORBNPDJQ-SECBINFHSA-N 0 0 291.338 3.577 50 0 CHAARN Cc1ccc(CNC(=O)CCCc2ccccc2)cc1 ZINC000000342147 256871484 /nfs/dbraw/zinc/87/14/84/256871484.db2.gz QJSURMSRAWBJAH-UHFFFAOYSA-N 0 0 267.372 3.634 50 0 CHAARN CC[C@@H](O)c1ccc(-c2ccc(-n3cccn3)cc2)cc1 ZINC000096151678 256884192 /nfs/dbraw/zinc/88/41/92/256884192.db2.gz UJNKPJSSABUOPV-GOSISDBHSA-N 0 0 278.355 3.983 50 0 CHAARN CC[C@@H](COc1cccc(C)c1)NC(=O)c1ccccc1C ZINC000080345895 177644152 /nfs/dbraw/zinc/64/41/52/177644152.db2.gz QOASFCMBXCPYBT-INIZCTEOSA-N 0 0 297.398 3.891 50 0 CHAARN CC(C)NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344112 177644168 /nfs/dbraw/zinc/64/41/68/177644168.db2.gz HNMBGILZWOTGHR-NEPJUHHUSA-N 0 0 272.175 3.622 50 0 CHAARN COc1ccc(C(=O)CCNc2cccc(C)c2)cc1 ZINC000000564135 169668980 /nfs/dbraw/zinc/66/89/80/169668980.db2.gz LAPXKLLNCVIMIU-UHFFFAOYSA-N 0 0 269.344 3.689 50 0 CHAARN COc1ccccc1/C=C1/C(=O)Nc2cc(Cl)ccc21 ZINC000000573347 169671438 /nfs/dbraw/zinc/67/14/38/169671438.db2.gz 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LLCUHMHGALCZCC-UHFFFAOYSA-N 0 0 282.387 3.596 50 0 CHAARN c1ccc(-c2nnsc2Sc2ccccn2)cc1 ZINC000001385715 169698117 /nfs/dbraw/zinc/69/81/17/169698117.db2.gz ZVHKVSRHUXMCAI-UHFFFAOYSA-N 0 0 271.370 3.751 50 0 CHAARN CCO[C@@H](C)c1noc(-c2coc3ccccc23)n1 ZINC000095397750 184966158 /nfs/dbraw/zinc/96/61/58/184966158.db2.gz MMMWHBSTQBSTPM-VIFPVBQESA-N 0 0 258.277 3.580 50 0 CHAARN O=C(Oc1ccc(Oc2nccs2)cc1)c1cccnc1 ZINC000095426610 184979626 /nfs/dbraw/zinc/97/96/26/184979626.db2.gz KARWTHGHPJVTIW-UHFFFAOYSA-N 0 0 298.323 3.550 50 0 CHAARN O=C(c1cnc2ccccn12)c1ccc(Cl)cc1Cl ZINC000001397786 169701277 /nfs/dbraw/zinc/70/12/77/169701277.db2.gz KICBSWGOOWCBJM-UHFFFAOYSA-N 0 0 291.137 3.872 50 0 CHAARN Cc1ccc2c(c1)[C@](O)(c1ccccc1)CCS2 ZINC000001399153 169701563 /nfs/dbraw/zinc/70/15/63/169701563.db2.gz HXFKHHWURCSHAE-MRXNPFEDSA-N 0 0 256.370 3.727 50 0 CHAARN CCOC(=O)[C@H](CC)Oc1cc(C)ccc1C(C)C ZINC000001459359 169707149 /nfs/dbraw/zinc/70/71/49/169707149.db2.gz MTCKXFATSGXQNG-AWEZNQCLSA-N 0 0 264.365 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/nfs/dbraw/zinc/19/31/61/174193161.db2.gz KWNHVGQVTJTSRF-UHFFFAOYSA-N 0 0 298.333 3.988 50 0 CHAARN CN(C(=O)Nc1ccccc1-n1cccn1)C1CCCCC1 ZINC000040121022 174193331 /nfs/dbraw/zinc/19/33/31/174193331.db2.gz JPZJEBVKDBADBX-UHFFFAOYSA-N 0 0 298.390 3.669 50 0 CHAARN Cc1cnc(NC(=O)CCOc2ccc(Cl)cc2)s1 ZINC000040129162 174193659 /nfs/dbraw/zinc/19/36/59/174193659.db2.gz FTXBOJMTVBDFEU-UHFFFAOYSA-N 0 0 296.779 3.513 50 0 CHAARN CSc1ncccc1C(=O)N1CCCCc2ccccc21 ZINC000040133938 174194220 /nfs/dbraw/zinc/19/42/20/174194220.db2.gz IWIXMAWPVBDYJV-UHFFFAOYSA-N 0 0 298.411 3.787 50 0 CHAARN C[C@H](Sc1nnc2n1CCCCC2)c1ccccc1 ZINC000040159038 174195472 /nfs/dbraw/zinc/19/54/72/174195472.db2.gz OTGKAGOMQDAVTD-LBPRGKRZSA-N 0 0 273.405 3.858 50 0 CHAARN C[C@H](NC(=O)[C@H]1C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000040160049 174195816 /nfs/dbraw/zinc/19/58/16/174195816.db2.gz AGBTYCCEIOGREX-PTRXPTGYSA-N 0 0 271.282 3.539 50 0 CHAARN O=C([C@@H]1CC=CCC1)N1CCC(Cc2ccccc2)CC1 ZINC000040160333 174195823 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O=C(CC1CCCC1)Nc1cc(-c2cccs2)[nH]n1 ZINC000048751061 175447032 /nfs/dbraw/zinc/44/70/32/175447032.db2.gz ISGYRXOIQYOTCZ-UHFFFAOYSA-N 0 0 275.377 3.657 50 0 CHAARN CCCCS(=O)(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000048903132 175452972 /nfs/dbraw/zinc/45/29/72/175452972.db2.gz FZXGXYDNFORYDK-ZDUSSCGKSA-N 0 0 291.416 3.620 50 0 CHAARN CC(C)c1cc(NC(=O)c2cnc(C(C)(C)C)s2)n[nH]1 ZINC000049044690 175460523 /nfs/dbraw/zinc/46/05/23/175460523.db2.gz CXORRRATVZTEKP-UHFFFAOYSA-N 0 0 292.408 3.539 50 0 CHAARN Cn1ncc2c1NC(=O)C[C@H]2c1ccc(Cl)cc1Cl ZINC000049543950 175486941 /nfs/dbraw/zinc/48/69/41/175486941.db2.gz MSHJHMHXFLAGCL-VIFPVBQESA-N 0 0 296.157 3.851 50 0 CHAARN C[C@@H](NC(=O)/C=C\c1ccsc1)c1nc2ccccc2[nH]1 ZINC000050567667 175517546 /nfs/dbraw/zinc/51/75/46/175517546.db2.gz OOVBTVFCMOFQLV-JMEBYUIHSA-N 0 0 297.383 3.515 50 0 CHAARN CCCN(Cc1cccnc1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000055196496 175573189 /nfs/dbraw/zinc/57/31/89/175573189.db2.gz JPJWVEWNGMQYEU-ZWKOTPCHSA-N 0 0 294.398 3.624 50 0 CHAARN CC[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCOC ZINC000055403853 175577992 /nfs/dbraw/zinc/57/79/92/175577992.db2.gz BRHQOPVCTKTDOR-GFCCVEGCSA-N 0 0 283.799 3.504 50 0 CHAARN Cc1ccc(-c2cc3c(=S)[nH]ccn3n2)cc1C ZINC000057352166 175593686 /nfs/dbraw/zinc/59/36/86/175593686.db2.gz KQJPRHPURJZHNU-UHFFFAOYSA-N 0 0 255.346 3.676 50 0 CHAARN CCc1ccc(N[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1 ZINC000057570569 175599364 /nfs/dbraw/zinc/59/93/64/175599364.db2.gz HHSLEIRRODAMKA-HNNXBMFYSA-N 0 0 296.414 3.708 50 0 CHAARN Fc1ccc(OCc2noc(-c3cccs3)n2)c(F)c1 ZINC000057996437 175605147 /nfs/dbraw/zinc/60/51/47/175605147.db2.gz ZPYFAFPQZQWQHG-UHFFFAOYSA-N 0 0 294.282 3.655 50 0 CHAARN O=[S@](Cc1ccc(Cl)cc1)Cc1ccccc1F ZINC000058132251 175607441 /nfs/dbraw/zinc/60/74/41/175607441.db2.gz YULZNZQCFBIKTD-SFHVURJKSA-N 0 0 282.767 3.928 50 0 CHAARN COc1ccccc1N(C)C(=O)c1cc2c(s1)CCC2 ZINC000058411482 175623647 /nfs/dbraw/zinc/62/36/47/175623647.db2.gz CUQIZTRPORNCTD-UHFFFAOYSA-N 0 0 287.384 3.522 50 0 CHAARN c1cnc2c(c1)cccc2-c1n[nH]c(C2CCCC2)n1 ZINC000061415594 175644812 /nfs/dbraw/zinc/64/48/12/175644812.db2.gz NAODFHQEKFLPPP-UHFFFAOYSA-N 0 0 264.332 3.678 50 0 CHAARN O[C@H](c1c(F)cncc1Br)C1CCCCC1 ZINC000062152103 175665249 /nfs/dbraw/zinc/66/52/49/175665249.db2.gz GNFNLOGQSXGZQQ-LBPRGKRZSA-N 0 0 288.160 3.597 50 0 CHAARN Cc1ccc(N)nc1-c1cccc(C(=O)OC(C)(C)C)c1 ZINC000064033450 175690430 /nfs/dbraw/zinc/69/04/30/175690430.db2.gz RZGNTHQZYZRDDB-UHFFFAOYSA-N 0 0 284.359 3.595 50 0 CHAARN CCn1cc(C(=O)Nc2cc(C)ccc2C)c2cccnc21 ZINC000064542808 175693021 /nfs/dbraw/zinc/69/30/21/175693021.db2.gz OSLRNXLEKVSHPC-UHFFFAOYSA-N 0 0 293.370 3.925 50 0 CHAARN Cc1ccc(-c2nc(C(=O)N3CCCCC3)cs2)s1 ZINC000064676526 175697553 /nfs/dbraw/zinc/69/75/53/175697553.db2.gz QCBSIIVEPZNOEC-UHFFFAOYSA-N 0 0 292.429 3.806 50 0 CHAARN Cc1nc2cc(-c3noc(-c4ccccc4)n3)ccc2o1 ZINC000065149672 175701214 /nfs/dbraw/zinc/70/12/14/175701214.db2.gz ADINDCGCIQZVLV-UHFFFAOYSA-N 0 0 277.283 3.853 50 0 CHAARN CC(C)NC(=O)c1cnc(-c2ccc(Cl)s2)s1 ZINC000065405220 175730790 /nfs/dbraw/zinc/73/07/90/175730790.db2.gz UNZQTOCSCHTWMP-UHFFFAOYSA-N 0 0 286.809 3.663 50 0 CHAARN Cc1cc(C)nc(N[C@@H](CC(C)C)c2cccnc2)n1 ZINC000065505340 175744687 /nfs/dbraw/zinc/74/46/87/175744687.db2.gz MCEATBZOHBVHSW-HNNXBMFYSA-N 0 0 270.380 3.688 50 0 CHAARN CC(C)CN(C(=O)c1csc(-c2ccco2)n1)C1CC1 ZINC000065532008 175748196 /nfs/dbraw/zinc/74/81/96/175748196.db2.gz MZYSSAMROMVUSB-UHFFFAOYSA-N 0 0 290.388 3.664 50 0 CHAARN C[C@H](SCc1cccc(F)c1F)C(=O)NC(C)(C)C ZINC000065589227 175752435 /nfs/dbraw/zinc/75/24/35/175752435.db2.gz HQRNAHHAMRJUER-VIFPVBQESA-N 0 0 287.375 3.501 50 0 CHAARN c1nnc(-c2ccc(OCCCOc3ccccc3)cc2)o1 ZINC000065594413 175753382 /nfs/dbraw/zinc/75/33/82/175753382.db2.gz TTZMSDIHMSSDGC-UHFFFAOYSA-N 0 0 296.326 3.585 50 0 CHAARN OCc1cc2ccccc2nc1-c1cccc2[nH]ccc21 ZINC000067725460 175787349 /nfs/dbraw/zinc/78/73/49/175787349.db2.gz RLQDMKJWYBVHDX-UHFFFAOYSA-N 0 0 274.323 3.875 50 0 CHAARN 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ZINC000058161972 567895258 /nfs/dbraw/zinc/89/52/58/567895258.db2.gz NAOTUSRSONKDGB-OAHLLOKOSA-N 0 0 277.433 3.714 50 0 CHAARN C[C@H]1c2cccn2CCN1Cc1cccc(Cl)c1 ZINC000057992374 567895284 /nfs/dbraw/zinc/89/52/84/567895284.db2.gz GYIYFQWIHPPQGI-LBPRGKRZSA-N 0 0 260.768 3.718 50 0 CHAARN Cc1ccc(C[S@@](=O)Cc2ccc(F)cc2)cc1 ZINC000058225230 567895953 /nfs/dbraw/zinc/89/59/53/567895953.db2.gz RKVVKTGJFYVOOI-SFHVURJKSA-N 0 0 262.349 3.583 50 0 CHAARN CCCNC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000013329000 567930893 /nfs/dbraw/zinc/93/08/93/567930893.db2.gz YBDCJYANPKFWNC-LBPRGKRZSA-N 0 0 254.761 3.500 50 0 CHAARN Cc1cc(OCC(=O)N(C)CC2CCCC2)ccc1Cl ZINC000060211774 570229645 /nfs/dbraw/zinc/22/96/45/570229645.db2.gz JKZYRKFCMWZGNX-UHFFFAOYSA-N 0 0 295.810 3.676 50 0 CHAARN O=C(NC1CCCCC1)c1scc2c1CCCC2 ZINC000000141541 570269541 /nfs/dbraw/zinc/26/95/41/570269541.db2.gz AKLRKXWCPAAKCP-UHFFFAOYSA-N 0 0 263.406 3.689 50 0 CHAARN CCCCCCNC(=O)Nc1cccc(C(C)=O)c1 ZINC000041639240 570404289 /nfs/dbraw/zinc/40/42/89/570404289.db2.gz LVLNTZZDXQZCQW-UHFFFAOYSA-N 0 0 262.353 3.591 50 0 CHAARN CCNc1cc(-c2nc(CC(C)C)cs2)ccn1 ZINC000242389342 566826118 /nfs/dbraw/zinc/82/61/18/566826118.db2.gz ZWINOCLDFGXBGP-UHFFFAOYSA-N 0 0 261.394 3.835 50 0 CHAARN O=c1nc([C@H]2CCC(F)(F)C2)[nH]c2sc3c(c21)CCC3 ZINC000241869070 566826446 /nfs/dbraw/zinc/82/64/46/566826446.db2.gz SUEVBKYZVVXLLQ-ZETCQYMHSA-N 0 0 296.342 3.788 50 0 CHAARN COc1ccccc1[C@H](C)NC(=O)O[C@@H](C)CC(C)C ZINC000241316799 566826487 /nfs/dbraw/zinc/82/64/87/566826487.db2.gz LUYRNTIFVQXGMD-STQMWFEESA-N 0 0 279.380 3.917 50 0 CHAARN CC(=O)N1N=C(c2ccc(C)s2)C[C@@H]1c1cccs1 ZINC000242389316 566826781 /nfs/dbraw/zinc/82/67/81/566826781.db2.gz ZWDWIRGLQHCYQH-GFCCVEGCSA-N 0 0 290.413 3.816 50 0 CHAARN Cc1ncc(CN(C)Cc2csc(C(C)C)n2)s1 ZINC000052101475 566832808 /nfs/dbraw/zinc/83/28/08/566832808.db2.gz XQMLGYBHEFUTIW-UHFFFAOYSA-N 0 0 281.450 3.663 50 0 CHAARN CN(C)c1cccc(Oc2cc(=O)oc3ccccc23)c1 ZINC000000984108 566834213 /nfs/dbraw/zinc/83/42/13/566834213.db2.gz FGGMCBRHJYGFDM-UHFFFAOYSA-N 0 0 281.311 3.651 50 0 CHAARN Cc1[nH]c2ccccc2c1C(O)(C(F)(F)F)C(F)(F)F ZINC000000985502 566834784 /nfs/dbraw/zinc/83/47/84/566834784.db2.gz IKQTVFRMZNAPME-UHFFFAOYSA-N 0 0 297.198 3.789 50 0 CHAARN O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000025534042 566837305 /nfs/dbraw/zinc/83/73/05/566837305.db2.gz DXQYLWCREIXESP-MRXNPFEDSA-N 0 0 287.309 3.942 50 0 CHAARN CCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1 ZINC000001068857 566838211 /nfs/dbraw/zinc/83/82/11/566838211.db2.gz UKMXDTRGNSMMJX-UHFFFAOYSA-N 0 0 266.296 3.859 50 0 biogenic CHAARN c1[nH]c(SCc2nnc(C3CC3)o2)nc1-c1ccccc1 ZINC000063536769 566842947 /nfs/dbraw/zinc/84/29/47/566842947.db2.gz IKIAOMTVRRFAPS-UHFFFAOYSA-N 0 0 298.371 3.629 50 0 CHAARN CN(C)c1cccc(C(=O)Nc2cccc3ncccc32)c1 ZINC000012537385 566846799 /nfs/dbraw/zinc/84/67/99/566846799.db2.gz QZWFEUVFCJIRKX-UHFFFAOYSA-N 0 0 291.354 3.553 50 0 CHAARN O=C(NCCCn1ccc2ccccc21)c1ccsc1 ZINC000012561523 566848429 /nfs/dbraw/zinc/84/84/29/566848429.db2.gz MKKRFUGUWOTRJP-UHFFFAOYSA-N 0 0 284.384 3.523 50 0 CHAARN Cc1cc(C(=O)CN2CCc3ccccc32)c(C)n1C1CC1 ZINC000012565306 566850218 /nfs/dbraw/zinc/85/02/18/566850218.db2.gz MAHCCMUHJPCPSH-UHFFFAOYSA-N 0 0 294.398 3.685 50 0 CHAARN CC(C)c1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1 ZINC000003387319 566850282 /nfs/dbraw/zinc/85/02/82/566850282.db2.gz YQXBXZQIWFICPH-UHFFFAOYSA-N 0 0 297.354 3.606 50 0 CHAARN CC(=O)OCC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C ZINC000004042738 566855912 /nfs/dbraw/zinc/85/59/12/566855912.db2.gz WAZIVOKZWOLZGT-CIRFHOKZSA-N 0 0 296.451 3.933 50 0 biogenic CHAARN Cc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1C ZINC000019169257 566856382 /nfs/dbraw/zinc/85/63/82/566856382.db2.gz AREJFFVVICZGQR-UHFFFAOYSA-N 0 0 297.354 3.717 50 0 CHAARN CCOC(=O)CSc1cc(C)nc2c(C)cc(C)cc12 ZINC000004082995 566857345 /nfs/dbraw/zinc/85/73/45/566857345.db2.gz VHBBBSNBDMIHSM-UHFFFAOYSA-N 0 0 289.400 3.815 50 0 CHAARN CC(=O)Nc1nn(CC(C)C)c2nc3c(C)cccc3cc12 ZINC000001272342 566860384 /nfs/dbraw/zinc/86/03/84/566860384.db2.gz QMLQQWBKAFOUJT-UHFFFAOYSA-N 0 0 296.374 3.507 50 0 CHAARN Cc1nc(C)c(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)o1 ZINC000174437182 566862956 /nfs/dbraw/zinc/86/29/56/566862956.db2.gz HSAYLCWUWCMVLS-LLVKDONJSA-N 0 0 298.386 3.661 50 0 CHAARN CC(=O)c1ccc(C(=O)Nc2cccc3ncccc32)s1 ZINC000012728353 566864462 /nfs/dbraw/zinc/86/44/62/566864462.db2.gz NCGFQZOVWQRTDQ-UHFFFAOYSA-N 0 0 296.351 3.751 50 0 CHAARN Cc1ccc(NC(=O)c2cccc3cccnc32)cc1F ZINC000019173845 566864915 /nfs/dbraw/zinc/86/49/15/566864915.db2.gz TYKLEAABUSNOCZ-UHFFFAOYSA-N 0 0 280.302 3.935 50 0 CHAARN Nc1n[nH]c2nc(-c3ccc(Cl)c(Cl)c3)ccc12 ZINC000001390245 566868245 /nfs/dbraw/zinc/86/82/45/566868245.db2.gz IGNFLKWJMPUWNP-UHFFFAOYSA-N 0 0 279.130 3.514 50 0 CHAARN COc1ccc(Nc2nc3ccccc3nc2C)c(OC)c1 ZINC000012736791 566868353 /nfs/dbraw/zinc/86/83/53/566868353.db2.gz MSIQPTSAHODRQQ-UHFFFAOYSA-N 0 0 295.342 3.699 50 0 CHAARN Clc1ccc(-c2ncc(-c3cc[nH]n3)s2)cc1 ZINC000001388986 566869173 /nfs/dbraw/zinc/86/91/73/566869173.db2.gz OZFODNNICWDTIL-UHFFFAOYSA-N 0 0 261.737 3.854 50 0 CHAARN COc1ccc(-c2noc([C@@H]3C[C@@H]3c3ccco3)n2)cc1 ZINC000083952330 566872513 /nfs/dbraw/zinc/87/25/13/566872513.db2.gz RBDFKNOUOUCXQU-QWHCGFSZSA-N 0 0 282.299 3.609 50 0 CHAARN On1c2cccnc2nc1-c1ccc(Cl)cc1Cl ZINC000001400229 566872631 /nfs/dbraw/zinc/87/26/31/566872631.db2.gz STFIHXNALHEXSO-UHFFFAOYSA-N 0 0 280.114 3.642 50 0 CHAARN O=C(NCc1ccccc1Cl)c1c[nH]c2ccccc12 ZINC000001399488 566872695 /nfs/dbraw/zinc/87/26/95/566872695.db2.gz TUWQXRJOGBZZMZ-UHFFFAOYSA-N 0 0 284.746 3.751 50 0 CHAARN Cc1c(F)cccc1NC(=O)c1ccc(Br)o1 ZINC000016623407 566874301 /nfs/dbraw/zinc/87/43/01/566874301.db2.gz NPNNGFKHJSQIIA-UHFFFAOYSA-N 0 0 298.111 3.742 50 0 CHAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)cc2)cc1 ZINC000015539326 566883563 /nfs/dbraw/zinc/88/35/63/566883563.db2.gz AVESIMSHXKASMO-SFHVURJKSA-N 0 0 295.382 3.981 50 0 CHAARN C[C@H](CC(=O)NCCc1ccc(F)cc1)C(C)(C)C ZINC000084636783 566885229 /nfs/dbraw/zinc/88/52/29/566885229.db2.gz AYYPSWMYOIVABD-GFCCVEGCSA-N 0 0 265.372 3.557 50 0 CHAARN O=C(NCC1CCCCCCC1)Nc1ccccn1 ZINC000084613267 566885253 /nfs/dbraw/zinc/88/52/53/566885253.db2.gz QYXFXLJIFLSUOB-UHFFFAOYSA-N 0 0 261.369 3.564 50 0 CHAARN CN(C(=O)c1ccc(F)cc1F)[C@@H]1CCc2ccccc21 ZINC000012779908 566885618 /nfs/dbraw/zinc/88/56/18/566885618.db2.gz LBULOPKVXGXFRL-MRXNPFEDSA-N 0 0 287.309 3.724 50 0 CHAARN O=C(Nc1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1 ZINC000015577772 566886472 /nfs/dbraw/zinc/88/64/72/566886472.db2.gz GMBXIHQJXDPPPO-UHFFFAOYSA-N 0 0 297.745 3.778 50 0 CHAARN CCCNC(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000084756515 566887836 /nfs/dbraw/zinc/88/78/36/566887836.db2.gz VGDAKCHSBZPJIM-CQSZACIVSA-N 0 0 252.402 3.541 50 0 CHAARN Clc1ccc2c(c1)CN(C1CCCCC1)CO2 ZINC000053199513 566892466 /nfs/dbraw/zinc/89/24/66/566892466.db2.gz FGVRQIQTCLJOFW-UHFFFAOYSA-N 0 0 251.757 3.825 50 0 CHAARN Cc1ccccc1CCNC(=O)c1ccc2c(c1)CCCC2 ZINC000012808146 566892746 /nfs/dbraw/zinc/89/27/46/566892746.db2.gz GUXVYHLEZQEFIJ-UHFFFAOYSA-N 0 0 293.410 3.846 50 0 CHAARN CCCCNC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000012813427 566893415 /nfs/dbraw/zinc/89/34/15/566893415.db2.gz DGPFMNOIHWUXPW-CYBMUJFWSA-N 0 0 285.387 3.868 50 0 CHAARN C[C@H](CCc1ccccc1)NC(=O)Cc1ccc(F)cc1 ZINC000001457085 566893759 /nfs/dbraw/zinc/89/37/59/566893759.db2.gz UIAGTYCOSSLTBW-CQSZACIVSA-N 0 0 285.362 3.506 50 0 CHAARN COc1ccc(CC(=O)Nc2ccccc2Cl)cc1C ZINC000013971999 566896821 /nfs/dbraw/zinc/89/68/21/566896821.db2.gz NPPZQQPSYRYTHP-UHFFFAOYSA-N 0 0 289.762 3.838 50 0 CHAARN COc1ccc(C)cc1[C@@H](CCO)c1ccccc1 ZINC000016696724 566897924 /nfs/dbraw/zinc/89/79/24/566897924.db2.gz OCGTUTJXBDQGKL-HNNXBMFYSA-N 0 0 256.345 3.518 50 0 CHAARN Cc1c(C(=O)NC2CCCCC2)cnn1-c1ccc(C)cc1 ZINC000012822251 566900443 /nfs/dbraw/zinc/90/04/43/566900443.db2.gz GDNGTQVWIKTIAT-UHFFFAOYSA-N 0 0 297.402 3.552 50 0 CHAARN Cc1ccccc1NC(=O)[C@H]1[C@@H]2CCCCC=C[C@H]21 ZINC000100107592 566904732 /nfs/dbraw/zinc/90/47/32/566904732.db2.gz RNYCSAMRETXICK-IIAWOOMASA-N 0 0 255.361 3.926 50 0 aggregator CHAARN Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)n1C ZINC000122183041 566905953 /nfs/dbraw/zinc/90/59/53/566905953.db2.gz NLKQFLFMOYBZSV-INIZCTEOSA-N 0 0 296.414 3.599 50 0 CHAARN CCOC(=O)N[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000000400600 566908662 /nfs/dbraw/zinc/90/86/62/566908662.db2.gz IZHNIWLBVIDJPB-ADKAHSJRSA-N 0 0 293.366 3.782 50 0 CHAARN O=C(CCc1cccc(F)c1)Nc1ccc(F)cc1 ZINC000004541925 566909906 /nfs/dbraw/zinc/90/99/06/566909906.db2.gz VYXWDBBDZYIFMJ-UHFFFAOYSA-N 0 0 261.271 3.536 50 0 CHAARN Fc1cccc(-c2nnn3c2nc(Cl)c2ccccc23)c1 ZINC000002692512 566914929 /nfs/dbraw/zinc/91/49/29/566914929.db2.gz SFXLYSMIOXLDLY-UHFFFAOYSA-N 0 0 298.708 3.737 50 0 CHAARN COc1ccc(O/C=C/[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1 ZINC000043763270 566916445 /nfs/dbraw/zinc/91/64/45/566916445.db2.gz NMWMILSLUVNQFN-HWLHTRRRSA-N 0 0 286.371 3.983 50 0 CHAARN O[C@@H]1CCc2c1ccc1ccc(Br)cc21 ZINC000043763760 566917625 /nfs/dbraw/zinc/91/76/25/566917625.db2.gz KTJVTJQRQGTADA-CYBMUJFWSA-N 0 0 263.134 3.582 50 0 CHAARN O=C(Nc1ccccc1)c1c(O)ccc2ccccc21 ZINC000028649066 566924303 /nfs/dbraw/zinc/92/43/03/566924303.db2.gz CXYMDAXGGAITQP-UHFFFAOYSA-N 0 0 263.296 3.798 50 0 CHAARN O=C(Cc1cccs1)N[C@H]1CCSc2ccccc21 ZINC000012877551 566924692 /nfs/dbraw/zinc/92/46/92/566924692.db2.gz AQTKRIAVWITKGI-ZDUSSCGKSA-N 0 0 289.425 3.644 50 0 CHAARN CC(=O)c1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1 ZINC000012918883 566927158 /nfs/dbraw/zinc/92/71/58/566927158.db2.gz IGTSALQALLBOIY-UHFFFAOYSA-N 0 0 297.398 3.900 50 0 CHAARN Cc1ccc(CN(C)C(=O)c2cc3c(cc(C)cc3C)[nH]2)o1 ZINC000012917871 566928661 /nfs/dbraw/zinc/92/86/61/566928661.db2.gz PVQIEFFOPRNJDZ-UHFFFAOYSA-N 0 0 296.370 3.958 50 0 CHAARN CSc1ccccc1C(=O)N[C@H]1CCCc2occc21 ZINC000012905643 566928957 /nfs/dbraw/zinc/92/89/57/566928957.db2.gz MPFXBNVFDWKJRW-ZDUSSCGKSA-N 0 0 287.384 3.809 50 0 CHAARN CC(C)(C)c1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1 ZINC000012909315 566929022 /nfs/dbraw/zinc/92/90/22/566929022.db2.gz KYKLZHWGCFBVBI-KRWDZBQOSA-N 0 0 295.382 3.926 50 0 CHAARN Cc1ccc(Cl)c(OCc2ccc(-n3ccnc3)nc2)c1 ZINC000075105133 566934746 /nfs/dbraw/zinc/93/47/46/566934746.db2.gz JMBZGECYTQFGJB-UHFFFAOYSA-N 0 0 299.761 3.808 50 0 CHAARN CCCNc1ccccc1-c1nc2ccccc2c(=O)[nH]1 ZINC000575473279 566938331 /nfs/dbraw/zinc/93/83/31/566938331.db2.gz QLXOJAQIAOSOTF-UHFFFAOYSA-N 0 0 279.343 3.824 50 0 CHAARN CCc1cccc(N2Cc3ccccc3O[C@@H](C)C2=O)c1 ZINC000075165488 566938435 /nfs/dbraw/zinc/93/84/35/566938435.db2.gz IGKYPWHJTICAOU-ZDUSSCGKSA-N 0 0 281.355 3.563 50 0 CHAARN CSc1ccccc1C(=O)NCc1cncc(C2CC2)c1 ZINC000575605961 566944244 /nfs/dbraw/zinc/94/42/44/566944244.db2.gz DPXKRNAWTANCTO-UHFFFAOYSA-N 0 0 298.411 3.611 50 0 CHAARN COc1ccc([C@H](O)CCNc2ccccc2C)cc1 ZINC000049865692 566944330 /nfs/dbraw/zinc/94/43/30/566944330.db2.gz CCWOAQHJXRFKMB-QGZVFWFLSA-N 0 0 271.360 3.539 50 0 CHAARN Cc1ccccc1CCC(=O)NCc1cncc(C2CC2)c1 ZINC000575606985 566945931 /nfs/dbraw/zinc/94/59/31/566945931.db2.gz XGDGRIRSMWUIMZ-UHFFFAOYSA-N 0 0 294.398 3.516 50 0 CHAARN O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[C@H]1c1ccsc1 ZINC000225233835 566950789 /nfs/dbraw/zinc/95/07/89/566950789.db2.gz HNAIMGKAOSKTJL-MJBXVCDLSA-N 0 0 287.384 3.808 50 0 CHAARN C[C@H](NCc1nc2ccccc2n1C1CC1)c1ccccn1 ZINC000191177805 566952643 /nfs/dbraw/zinc/95/26/43/566952643.db2.gz MAOZRHSWMRIXSJ-ZDUSSCGKSA-N 0 0 292.386 3.617 50 0 CHAARN O=C(c1cccc2ccccc21)N1CCOc2ccccc21 ZINC000035671543 566954661 /nfs/dbraw/zinc/95/46/61/566954661.db2.gz LTBFUGMZCRMCDM-UHFFFAOYSA-N 0 0 289.334 3.879 50 0 CHAARN O=C(CNc1ccccc1)c1ccc(Br)cc1 ZINC000028294671 566955526 /nfs/dbraw/zinc/95/55/26/566955526.db2.gz OFFZRRMRSKGZBV-UHFFFAOYSA-N 0 0 290.160 3.744 50 0 CHAARN O=C(NC[C@H]1CCCc2ccccc21)[C@H]1CC=CCC1 ZINC000013004366 566958258 /nfs/dbraw/zinc/95/82/58/566958258.db2.gz VXDYCRLRCQKWDF-JKSUJKDBSA-N 0 0 269.388 3.579 50 0 CHAARN COc1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1 ZINC000013022451 566960719 /nfs/dbraw/zinc/96/07/19/566960719.db2.gz DIXWHTIDCDLYMB-QGZVFWFLSA-N 0 0 281.355 3.754 50 0 CHAARN Cc1cc(-c2nnc(CN3CCc4ccccc43)o2)c(C)o1 ZINC000007348181 566962323 /nfs/dbraw/zinc/96/23/23/566962323.db2.gz CWJIFZSRGYHFLT-UHFFFAOYSA-N 0 0 295.342 3.509 50 0 CHAARN CCOC(=O)Cc1ccc(Oc2ccccc2)cc1 ZINC000034091140 566962892 /nfs/dbraw/zinc/96/28/92/566962892.db2.gz CPYLMUNOJSVCRZ-UHFFFAOYSA-N 0 0 256.301 3.585 50 0 CHAARN O=C(CCc1ccc2cc[nH]c2c1)NCc1cccc(F)c1 ZINC000075509269 566962903 /nfs/dbraw/zinc/96/29/03/566962903.db2.gz PPAMXAGEMRVJIE-UHFFFAOYSA-N 0 0 296.345 3.556 50 0 CHAARN Cc1nnc(COc2ccc(C(C)C)cc2)n1C1CC1 ZINC000091592175 566964024 /nfs/dbraw/zinc/96/40/24/566964024.db2.gz VSBYTKFTQFAGER-UHFFFAOYSA-N 0 0 271.364 3.624 50 0 CHAARN O=c1[nH]c(C=CC=Cc2ccccc2)nc2ccccc21 ZINC000001797162 566964689 /nfs/dbraw/zinc/96/46/89/566964689.db2.gz OICANHBIKPAMGE-GODDPXKCSA-N 0 0 274.323 3.650 50 0 CHAARN CCO[C@@H]1C[C@H](NC(=O)C[C@H]2CCC[C@H](C)C2)C12CCC2 ZINC000241231032 566967868 /nfs/dbraw/zinc/96/78/68/566967868.db2.gz KRJKOXVRSSOURJ-YHUYYLMFSA-N 0 0 293.451 3.667 50 0 CHAARN Cc1ccc(CNC(=O)CCc2ccc3[nH]ccc3c2)cc1 ZINC000075550712 566970103 /nfs/dbraw/zinc/97/01/03/566970103.db2.gz RHYWBMIVIAEIJX-UHFFFAOYSA-N 0 0 292.382 3.725 50 0 CHAARN c1nn(-c2ccccc2)cc1NCc1csc(C2CC2)n1 ZINC000092568478 566971368 /nfs/dbraw/zinc/97/13/68/566971368.db2.gz WKFOLXSOLRBVKD-UHFFFAOYSA-N 0 0 296.399 3.818 50 0 CHAARN C[C@]12CC=C3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2O ZINC000252428445 566972502 /nfs/dbraw/zinc/97/25/02/566972502.db2.gz FABGTKBXHAEVKL-MLHJIOFPSA-N 0 0 270.372 3.519 50 0 CHAARN Fc1cc2cccnc2c(CNc2ccncc2F)c1 ZINC000192150867 566973293 /nfs/dbraw/zinc/97/32/93/566973293.db2.gz MMVUOFAXFOYBOR-UHFFFAOYSA-N 0 0 271.270 3.520 50 0 CHAARN Cc1c(F)cccc1NC(=O)c1ccnc(Cl)c1F ZINC000089540356 566984727 /nfs/dbraw/zinc/98/47/27/566984727.db2.gz LFOCVLLRSMDJDT-UHFFFAOYSA-N 0 0 282.677 3.574 50 0 CHAARN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000000287733 566975295 /nfs/dbraw/zinc/97/52/95/566975295.db2.gz XDMHUZMMHBTTST-ZDUSSCGKSA-N 0 0 278.355 3.529 50 0 biogenic CHAARN Cc1ccc(-c2nnc(CO[C@@H]3CCC[C@H](C)C3)o2)o1 ZINC000521393913 566976652 /nfs/dbraw/zinc/97/66/52/566976652.db2.gz DUIRTUCVOALGLO-CMPLNLGQSA-N 0 0 276.336 3.733 50 0 CHAARN O=C(c1ccccc1)N1CCS[C@@H]1c1cccs1 ZINC000035815968 566977291 /nfs/dbraw/zinc/97/72/91/566977291.db2.gz CYPGKBJANHPJDM-CQSZACIVSA-N 0 0 275.398 3.636 50 0 CHAARN C[C@@H]1CCC[C@@H](OCc2nnc(Cc3cccs3)o2)C1 ZINC000521393902 566977334 /nfs/dbraw/zinc/97/73/34/566977334.db2.gz RLUWRFXWQFGRQS-VXGBXAGGSA-N 0 0 292.404 3.817 50 0 CHAARN Cc1ccccc1NC(=O)[C@@]1(C)CC(c2ccccc2)=NO1 ZINC000064555355 566981839 /nfs/dbraw/zinc/98/18/39/566981839.db2.gz VBAVOTHCAITXCK-GOSISDBHSA-N 0 0 294.354 3.517 50 0 CHAARN Fc1cccc(Cc2nnc(-c3ccccc3F)o2)c1 ZINC000064556906 566982014 /nfs/dbraw/zinc/98/20/14/566982014.db2.gz LRBAKRKZNGFNJV-UHFFFAOYSA-N 0 0 272.254 3.606 50 0 CHAARN CC(C)c1cc([C@H]2CCCN2C(=O)c2ccccc2)no1 ZINC000064555569 566982520 /nfs/dbraw/zinc/98/25/20/566982520.db2.gz QSDRNVCTWLULGT-OAHLLOKOSA-N 0 0 284.359 3.775 50 0 CHAARN Cc1noc2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000004541888 566986228 /nfs/dbraw/zinc/98/62/28/566986228.db2.gz OVVSGYMJHSVBIM-UHFFFAOYSA-N 0 0 268.194 3.810 50 0 CHAARN CC[C@H](C)c1ccc(-c2cnn(C)c2C(C)=O)cc1 ZINC000426528174 566987826 /nfs/dbraw/zinc/98/78/26/566987826.db2.gz ZYIJWCMORFRSJS-NSHDSACASA-N 0 0 256.349 3.803 50 0 CHAARN CC(C)c1nnc(-c2ccc([C@H](C)[NH+](C)C)cc2)s1 ZINC000426722664 566991265 /nfs/dbraw/zinc/99/12/65/566991265.db2.gz QMOZCGQVQQLNHI-NSHDSACASA-N 0 0 275.421 3.951 50 0 CHAARN CCNC(=O)c1ccc(-c2cccc([C@H](C)OC)c2)s1 ZINC000426697306 566991898 /nfs/dbraw/zinc/99/18/98/566991898.db2.gz IDLYCMGBSBSQLS-NSHDSACASA-N 0 0 289.400 3.872 50 0 CHAARN COc1ccc2cc([C@@H](C)NC(=O)N3CCCC3)ccc2c1 ZINC000426615376 566992012 /nfs/dbraw/zinc/99/20/12/566992012.db2.gz FZIWCWUOJCNORV-CYBMUJFWSA-N 0 0 298.386 3.715 50 0 CHAARN CC(=O)N[C@@H](C)c1ccc(-c2cscc2C)cc1 ZINC000426652178 566992235 /nfs/dbraw/zinc/99/22/35/566992235.db2.gz YTJVLNDPKIFPDH-NSHDSACASA-N 0 0 259.374 3.921 50 0 CHAARN Cc1nc(-c2ccc(C(=O)NCc3ccco3)cc2)cs1 ZINC000064677350 566993500 /nfs/dbraw/zinc/99/35/00/566993500.db2.gz VNTSZENCMXWGOV-UHFFFAOYSA-N 0 0 298.367 3.642 50 0 CHAARN Cc1cc(Cl)ccc1O/C=C1/NC(=O)c2ccccc21 ZINC000038189851 566995018 /nfs/dbraw/zinc/99/50/18/566995018.db2.gz FLSSAQFSIAKIPD-NTEUORMPSA-N 0 0 285.730 3.769 50 0 CHAARN CCOC(=O)NC1c2ccccc2Oc2ccccc21 ZINC000001661542 566995951 /nfs/dbraw/zinc/99/59/51/566995951.db2.gz ZRHIXOCIICXSFL-UHFFFAOYSA-N 0 0 269.300 3.628 50 0 CHAARN C[C@@H]1CN(C(=O)Nc2ccc(F)cc2)c2ccccc2O1 ZINC000006842666 566998919 /nfs/dbraw/zinc/99/89/19/566998919.db2.gz LEZPNPPQEITZHR-LLVKDONJSA-N 0 0 286.306 3.645 50 0 CHAARN CCc1ccccc1NC(=O)N1CCOc2ccc(C)cc21 ZINC000006842605 566999489 /nfs/dbraw/zinc/99/94/89/566999489.db2.gz LXMIPLALYRDEHI-UHFFFAOYSA-N 0 0 296.370 3.988 50 0 CHAARN Cc1ccc(C(=O)NCc2ncc(-c3ccccc3)o2)s1 ZINC000036393323 567000674 /nfs/dbraw/zinc/00/06/74/567000674.db2.gz MPRRJUVOVQRCCZ-UHFFFAOYSA-N 0 0 298.367 3.642 50 0 CHAARN Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OCc1ccccc1 ZINC000036393882 567001796 /nfs/dbraw/zinc/00/17/96/567001796.db2.gz BGNJFFDMGYHCJT-HZPDHXFCSA-N 0 0 297.398 3.778 50 0 CHAARN CC[C@H](C)NC(=O)Nc1ccc(Br)c(C)c1 ZINC000036395942 567001844 /nfs/dbraw/zinc/00/18/44/567001844.db2.gz LIVGIFNOGGMYJU-VIFPVBQESA-N 0 0 285.185 3.678 50 0 CHAARN c1csc([C@@H](N[C@H]2CCCc3occc32)C2CC2)n1 ZINC000192903866 567002211 /nfs/dbraw/zinc/00/22/11/567002211.db2.gz SICGSGZFDXLPNE-JSGCOSHPSA-N 0 0 274.389 3.854 50 0 CHAARN Cc1ccc(NC(=O)c2cc3c(s2)CN(C2CC2)C3)cc1 ZINC000065238796 567003936 /nfs/dbraw/zinc/00/39/36/567003936.db2.gz FMIVUGDFPYBEFI-UHFFFAOYSA-N 0 0 298.411 3.787 50 0 CHAARN CCC(C)(C)NC(=O)c1nc(-c2ccccc2)oc1C ZINC000036719032 567005189 /nfs/dbraw/zinc/00/51/89/567005189.db2.gz BRFKYYJJGSORGG-UHFFFAOYSA-N 0 0 272.348 3.568 50 0 CHAARN Cc1ccc(C(=O)Nc2ccccc2Cn2cccn2)s1 ZINC000036761243 567006101 /nfs/dbraw/zinc/00/61/01/567006101.db2.gz WOBYCUJYDXCMTK-UHFFFAOYSA-N 0 0 297.383 3.554 50 0 CHAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3C(=O)[C@@H](C)CC[C@H]32)C1 ZINC000238899552 567006338 /nfs/dbraw/zinc/00/63/38/567006338.db2.gz GOCNYSCJLWRRBG-KPYMUPAYSA-N 0 0 290.403 3.670 50 0 biogenic CHAARN CC(C)COc1ccccc1NC(=O)OCC(F)(F)F ZINC000065522888 567010052 /nfs/dbraw/zinc/01/00/52/567010052.db2.gz JPSFNNMBQAEYTI-UHFFFAOYSA-N 0 0 291.269 3.832 50 0 CHAARN CCCc1nc(CN2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000065550768 567010389 /nfs/dbraw/zinc/01/03/89/567010389.db2.gz VAWVBLLFMSZQAY-SNVBAGLBSA-N 0 0 292.370 3.870 50 0 CHAARN Cc1n[nH]cc1C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000036975527 567010423 /nfs/dbraw/zinc/01/04/23/567010423.db2.gz SGDPLKHNXMFUKV-HNNXBMFYSA-N 0 0 277.799 3.858 50 0 CHAARN Cc1ccc2[nH]c(CN(C)Cc3cccnc3)cc2c1C ZINC000170598070 567011557 /nfs/dbraw/zinc/01/15/57/567011557.db2.gz BVCXGTJEICTFNV-UHFFFAOYSA-N 0 0 279.387 3.812 50 0 CHAARN Cc1noc(C)c1-c1csc(N2CCC[C@H](C)C2)n1 ZINC000170599414 567012159 /nfs/dbraw/zinc/01/21/59/567012159.db2.gz AXYMKWKYEYQHQZ-VIFPVBQESA-N 0 0 277.393 3.651 50 0 CHAARN COc1ccc(C)cc1C[S@@](=O)CCc1cccs1 ZINC000170610911 567013454 /nfs/dbraw/zinc/01/34/54/567013454.db2.gz WGWVTRUCVXOQHK-IBGZPJMESA-N 0 0 294.441 3.557 50 0 CHAARN C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)C1CCCCC1 ZINC000170628919 567016160 /nfs/dbraw/zinc/01/61/60/567016160.db2.gz PWWUTIDGFCHZIF-IJEWVQPXSA-N 0 0 281.440 3.761 50 0 CHAARN c1cn(CCc2ccncc2)nc1NC1CCCCCC1 ZINC000151475635 567016849 /nfs/dbraw/zinc/01/68/49/567016849.db2.gz CLSBOIMVCQRNIB-UHFFFAOYSA-N 0 0 284.407 3.656 50 0 CHAARN Cc1cc(C)nc(NC(=O)Nc2ccc(C)c(F)c2)c1 ZINC000013320332 567017263 /nfs/dbraw/zinc/01/72/63/567017263.db2.gz ZTDSLILNPRQPRD-UHFFFAOYSA-N 0 0 273.311 3.790 50 0 CHAARN CCCNC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000013329865 567017887 /nfs/dbraw/zinc/01/78/87/567017887.db2.gz VUSOSBVAAFRKSE-MRVPVSSYSA-N 0 0 275.179 3.764 50 0 CHAARN CCOc1ccc([C@@H](CC)NC(=O)N[C@H](C)CC)cc1 ZINC000013746436 567020680 /nfs/dbraw/zinc/02/06/80/567020680.db2.gz XXQGFNGBKJGQNM-IUODEOHRSA-N 0 0 278.396 3.634 50 0 CHAARN CC[C@@H](C)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000013746373 567021348 /nfs/dbraw/zinc/02/13/48/567021348.db2.gz XKESEHDQMVOIJM-CHWSQXEVSA-N 0 0 270.376 3.999 50 0 CHAARN CCSCc1cccc(N[C@H](C)c2nnc(C)o2)c1 ZINC000076083830 567029636 /nfs/dbraw/zinc/02/96/36/567029636.db2.gz ABGGGKDPFKMYNX-SNVBAGLBSA-N 0 0 277.393 3.804 50 0 CHAARN CCSCc1cccc(N[C@@H](C)c2nnc(C)o2)c1 ZINC000076083824 567030128 /nfs/dbraw/zinc/03/01/28/567030128.db2.gz ABGGGKDPFKMYNX-JTQLQIEISA-N 0 0 277.393 3.804 50 0 CHAARN CCC(=O)N1N=C(c2ccccc2C)C[C@H]1c1ccco1 ZINC000089941551 567030313 /nfs/dbraw/zinc/03/03/13/567030313.db2.gz KSKQGJMUMKGDHY-HNNXBMFYSA-N 0 0 282.343 3.676 50 0 CHAARN CC[C@@H](Cc1ccc(C)cc1)N(C)c1ncnc2[nH]ccc21 ZINC000089943644 567030272 /nfs/dbraw/zinc/03/02/72/567030272.db2.gz GAYNOWGMXWZAQY-HNNXBMFYSA-N 0 0 294.402 3.724 50 0 CHAARN COC(=O)C[C@H](C)SCc1csc(-c2ccoc2)n1 ZINC000089894572 567031170 /nfs/dbraw/zinc/03/11/70/567031170.db2.gz TUMBGZXXOLBMHY-VIFPVBQESA-N 0 0 297.401 3.588 50 0 CHAARN C[C@@H](CCc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 ZINC000014796092 567032206 /nfs/dbraw/zinc/03/22/06/567032206.db2.gz FXTYERNRPLSHDP-AWEZNQCLSA-N 0 0 292.382 3.919 50 0 CHAARN CC(C)c1ccc2nc([C@H]3CCCS3)[nH]c(=O)c2c1 ZINC000084625232 567032220 /nfs/dbraw/zinc/03/22/20/567032220.db2.gz HWURKUWBCOZLJQ-CYBMUJFWSA-N 0 0 274.389 3.615 50 0 CHAARN CCO[C@@H](C)c1noc([C@H](C)OC2CCCCCC2)n1 ZINC000089984954 567032753 /nfs/dbraw/zinc/03/27/53/567032753.db2.gz GVWNYSMRTNZRTL-RYUDHWBXSA-N 0 0 282.384 3.968 50 0 CHAARN CCOc1ccc(N(C)C(=O)C[C@H](C)n2cccc2)cc1 ZINC000089991120 567033793 /nfs/dbraw/zinc/03/37/93/567033793.db2.gz CDFTVRNCYILOOC-AWEZNQCLSA-N 0 0 286.375 3.501 50 0 CHAARN CC(C)c1nnc(CN2CCC3(CCCCC3)CC2)o1 ZINC000084631263 567033828 /nfs/dbraw/zinc/03/38/28/567033828.db2.gz OGJCEFZWCKEHCP-UHFFFAOYSA-N 0 0 277.412 3.739 50 0 CHAARN Cc1ccc(/C=C(\Cl)c2cc(=O)n3ccccc3n2)cc1 ZINC000009256540 567035602 /nfs/dbraw/zinc/03/56/02/567035602.db2.gz XIWVCNPCRSUHEI-UVTDQMKNSA-N 0 0 296.757 3.740 50 0 CHAARN COc1ccc(F)c(NC(=O)c2ccc3ncccc3c2)c1 ZINC000095410207 567039014 /nfs/dbraw/zinc/03/90/14/567039014.db2.gz ALKIRZVITBPKIZ-UHFFFAOYSA-N 0 0 296.301 3.635 50 0 CHAARN Fc1cccc2c1CC[C@H]2SC1=NCCS1 ZINC000095406422 567039101 /nfs/dbraw/zinc/03/91/01/567039101.db2.gz HNGUXNWVHRXZJW-LLVKDONJSA-N 0 0 253.367 3.649 50 0 CHAARN C[C@@H]1OCC[C@@H]1NC(=O)N(c1ccccc1)c1ccccc1 ZINC000096007784 567040899 /nfs/dbraw/zinc/04/08/99/567040899.db2.gz MVHGFORHZBXIJX-YOEHRIQHSA-N 0 0 296.370 3.712 50 0 CHAARN C[C@@H]1OCC[C@H]1NC(=O)N(c1ccccc1)c1ccccc1 ZINC000096007782 567041489 /nfs/dbraw/zinc/04/14/89/567041489.db2.gz MVHGFORHZBXIJX-WMLDXEAASA-N 0 0 296.370 3.712 50 0 CHAARN CCc1cc(=O)oc2c(C)c3c(cc12)CCC(C)(C)O3 ZINC000002112412 567047249 /nfs/dbraw/zinc/04/72/49/567047249.db2.gz ILIPKHIGOZYNBG-UHFFFAOYSA-N 0 0 272.344 3.767 50 0 biogenic CHAARN Cc1ccn(-c2cc(Cl)ccc2C(=O)C(F)(F)F)n1 ZINC000100074909 567050438 /nfs/dbraw/zinc/05/04/38/567050438.db2.gz YNKKCYYJEALSKL-UHFFFAOYSA-N 0 0 288.656 3.579 50 0 CHAARN O[C@@H](c1ccccc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000000397399 567053596 /nfs/dbraw/zinc/05/35/96/567053596.db2.gz SDKXHBTUGXKPRG-OALUTQOASA-N 0 0 275.351 3.947 50 0 CHAARN Cc1c(Cl)cccc1-n1c(C)nc2ccccc2c1=O ZINC000000409841 567056617 /nfs/dbraw/zinc/05/66/17/567056617.db2.gz MCCICLHYQKULJG-UHFFFAOYSA-N 0 0 284.746 3.656 50 0 CHAARN C[C@H](Nc1nc(-c2ccccc2)ns1)c1ccncc1 ZINC000193370282 567058287 /nfs/dbraw/zinc/05/82/87/567058287.db2.gz UWVSBVWRZNZPBO-NSHDSACASA-N 0 0 282.372 3.773 50 0 CHAARN CCN(C)[C@@H](c1nc(-c2ccsc2)no1)c1ccccc1 ZINC000252508015 567061386 /nfs/dbraw/zinc/06/13/86/567061386.db2.gz XAHVPJDHRKOQPP-CQSZACIVSA-N 0 0 299.399 3.839 50 0 CHAARN Cc1nc(C2(NCC[C@H](C)c3ccccc3)CCC2)no1 ZINC000194352793 567062963 /nfs/dbraw/zinc/06/29/63/567062963.db2.gz RAACTERHELNGDC-ZDUSSCGKSA-N 0 0 285.391 3.541 50 0 CHAARN O=Cc1ccc(OCCCCOc2ccc(C=O)cc2)cc1 ZINC000002163898 567063283 /nfs/dbraw/zinc/06/32/83/567063283.db2.gz KOMWLJLDHRMKGZ-UHFFFAOYSA-N 0 0 298.338 3.550 50 0 biogenic CHAARN O=C(Nc1ccccc1F)[C@@H]1[C@@H]2C=CCCCC[C@@H]21 ZINC000252620549 567067103 /nfs/dbraw/zinc/06/71/03/567067103.db2.gz MGKXQVFXEHPFOD-TYNCELHUSA-N 0 0 259.324 3.757 50 0 CHAARN CC(C)NC(=S)N[C@@H](c1cccs1)C(C)(C)C ZINC000066007303 567067879 /nfs/dbraw/zinc/06/78/79/567067879.db2.gz NBGDMQBWYPAQPV-NSHDSACASA-N 0 0 270.467 3.708 50 0 CHAARN Cc1ccccc1Oc1cc(N2CCC(C)CC2)ncn1 ZINC000037623773 567069666 /nfs/dbraw/zinc/06/96/66/567069666.db2.gz QAMHZOUNNOFQSF-UHFFFAOYSA-N 0 0 283.375 3.814 50 0 CHAARN Fc1cc2sc(N3CCCCC3)nc2c(F)c1 ZINC000004111286 567074642 /nfs/dbraw/zinc/07/46/42/567074642.db2.gz NLBLRCLSDQQTTE-UHFFFAOYSA-N 0 0 254.305 3.565 50 0 CHAARN Nc1ccc(Sc2cccc(Cl)c2)c(N)c1 ZINC000019908513 567087827 /nfs/dbraw/zinc/08/78/27/567087827.db2.gz NYUBMTJYPUZCCP-UHFFFAOYSA-N 0 0 250.754 3.656 50 0 CHAARN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O ZINC000039949190 567087975 /nfs/dbraw/zinc/08/79/75/567087975.db2.gz MUMGGOZAMZWBJJ-HMSXXHTOSA-N 0 0 288.431 3.879 50 0 biogenic,investigational CHAARN C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C[C@@H]4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000029395984 567088589 /nfs/dbraw/zinc/08/85/89/567088589.db2.gz RHVBIEJVJWNXBU-VWGLLUNNSA-N 0 0 276.420 3.569 50 0 CHAARN CCOC(=O)c1cc(-c2ccccn2)nc2ccc(C)cc21 ZINC000019909262 567088601 /nfs/dbraw/zinc/08/86/01/567088601.db2.gz ILOGGQPJUXVPHZ-UHFFFAOYSA-N 0 0 292.338 3.782 50 0 CHAARN O=C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 ZINC000138151480 567092606 /nfs/dbraw/zinc/09/26/06/567092606.db2.gz SKEWIPNLYIKMPP-CYBMUJFWSA-N 0 0 260.296 3.850 50 0 CHAARN CN1C=CC(=C2N=NC(=O)C2c2ccccc2)C=C1 ZINC000136958642 567093649 /nfs/dbraw/zinc/09/36/49/567093649.db2.gz ACLIJOBPOIFOEW-UHFFFAOYSA-N 0 0 251.289 3.606 50 0 CHAARN CCCCNc1ncnc2sc3c(c21)CC(C)(C)OC3 ZINC000002339221 567100280 /nfs/dbraw/zinc/10/02/80/567100280.db2.gz VQFCOGXUQWERTJ-UHFFFAOYSA-N 0 0 291.420 3.755 50 0 CHAARN CC[C@H](C(=O)NCc1cnc(Cl)s1)c1ccccc1 ZINC000253630171 567103636 /nfs/dbraw/zinc/10/36/36/567103636.db2.gz UMSHVTQIPZIJFT-LBPRGKRZSA-N 0 0 294.807 3.607 50 0 CHAARN CC[C@@H](C(=O)NCc1cnc(Cl)s1)c1ccccc1 ZINC000253630170 567103906 /nfs/dbraw/zinc/10/39/06/567103906.db2.gz UMSHVTQIPZIJFT-GFCCVEGCSA-N 0 0 294.807 3.607 50 0 CHAARN Fc1cc(Br)cc2cnn([C@@H]3CCCCO3)c21 ZINC000114545747 567112500 /nfs/dbraw/zinc/11/25/00/567112500.db2.gz DGWXHIXZDXUKHH-NSHDSACASA-N 0 0 299.143 3.637 50 0 CHAARN Cc1cc(CSc2nc3ccccc3nc2C)no1 ZINC000012907063 567115258 /nfs/dbraw/zinc/11/52/58/567115258.db2.gz PEUAYUWQDAIVFJ-UHFFFAOYSA-N 0 0 271.345 3.527 50 0 CHAARN C=CC(=O)N1CCCC[C@@H]1c1nc(C(C)(C)C)cs1 ZINC000328599953 567118612 /nfs/dbraw/zinc/11/86/12/567118612.db2.gz UWLODNCLQQBDBI-LLVKDONJSA-N 0 0 278.421 3.680 50 0 CHAARN CCOc1ccccc1-c1nnc(-c2ccc(F)cc2)o1 ZINC000013364298 567118663 /nfs/dbraw/zinc/11/86/63/567118663.db2.gz LJFBIQSGQGBVKU-UHFFFAOYSA-N 0 0 284.290 3.941 50 0 CHAARN CCCN(C(C)=O)c1nc(-c2ccc(C)cc2)cs1 ZINC000019816186 567123933 /nfs/dbraw/zinc/12/39/33/567123933.db2.gz XDQITCDQGWMLHA-UHFFFAOYSA-N 0 0 274.389 3.881 50 0 CHAARN CC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000020058891 567125286 /nfs/dbraw/zinc/12/52/86/567125286.db2.gz FZUJFKSBYBBQFB-VIFPVBQESA-N 0 0 290.215 3.931 50 0 CHAARN CC(C)Oc1ccc(C(=O)NC2CCC(F)(F)CC2)cc1 ZINC000390830133 567125782 /nfs/dbraw/zinc/12/57/82/567125782.db2.gz IYYHNHNJNBQSJY-UHFFFAOYSA-N 0 0 297.345 3.782 50 0 CHAARN CCOc1cc(C)c(NC(=O)CC(F)(F)F)cc1C ZINC000330031906 567126038 /nfs/dbraw/zinc/12/60/38/567126038.db2.gz FSRAIOCQSTWUCE-UHFFFAOYSA-N 0 0 275.270 3.593 50 0 CHAARN Cc1cc([C@@H](C)NC(=O)N(C)Cc2ccoc2C)c(C)o1 ZINC000095385670 567127728 /nfs/dbraw/zinc/12/77/28/567127728.db2.gz GNOSEFNHJWDUSK-LLVKDONJSA-N 0 0 290.363 3.700 50 0 CHAARN CC[C@H](COc1cccc(C)c1)NC(=O)c1cccc(C)c1 ZINC000080344807 567129930 /nfs/dbraw/zinc/12/99/30/567129930.db2.gz HYECDAGHWCLCSD-QGZVFWFLSA-N 0 0 297.398 3.891 50 0 CHAARN Cc1ccc([C@H](C)NCc2ccnc(OCC3CC3)c2)o1 ZINC000095422234 567130718 /nfs/dbraw/zinc/13/07/18/567130718.db2.gz OHCTURDAEIULBM-ZDUSSCGKSA-N 0 0 286.375 3.623 50 0 CHAARN CC[C@@H](NCc1cscn1)c1ccc(OC(F)F)cc1 ZINC000095421392 567130885 /nfs/dbraw/zinc/13/08/85/567130885.db2.gz IKIIRBXTOZSIDH-CYBMUJFWSA-N 0 0 298.358 3.985 50 0 CHAARN Fc1ccc(COc2cccc(C(F)(F)F)n2)cc1 ZINC000095418167 567131791 /nfs/dbraw/zinc/13/17/91/567131791.db2.gz MMCSGNXPWXFMIW-UHFFFAOYSA-N 0 0 271.213 3.819 50 0 CHAARN Cc1nc(CN2CC(C)(C)Oc3ccccc32)cs1 ZINC000095970874 567135691 /nfs/dbraw/zinc/13/56/91/567135691.db2.gz OBYXFUAJSONWTP-UHFFFAOYSA-N 0 0 274.389 3.629 50 0 CHAARN CSc1ccc(-c2ccnc3nc(C4CCC4)nn32)cc1 ZINC000095480573 567136717 /nfs/dbraw/zinc/13/67/17/567136717.db2.gz GTAGPIVLEKKQED-UHFFFAOYSA-N 0 0 296.399 3.781 50 0 CHAARN CCC(C)(C)OC(=O)[C@H](c1ccccc1)N1CCCCC1 ZINC000096026467 567136729 /nfs/dbraw/zinc/13/67/29/567136729.db2.gz BFASQKAMTBYOSD-INIZCTEOSA-N 0 0 289.419 3.945 50 0 CHAARN Clc1ccc([C@@H](NC2CCCCC2)c2ncon2)cc1 ZINC000095988538 567136749 /nfs/dbraw/zinc/13/67/49/567136749.db2.gz CERNXHONECVQEG-CQSZACIVSA-N 0 0 291.782 3.735 50 0 CHAARN Cc1nc(CN(Cc2ccccc2)Cc2ccccc2)no1 ZINC000096286619 567141059 /nfs/dbraw/zinc/14/10/59/567141059.db2.gz YQHUUFCFARCNBH-UHFFFAOYSA-N 0 0 293.370 3.580 50 0 CHAARN CN1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1c1ccccc1 ZINC000027987768 567145649 /nfs/dbraw/zinc/14/56/49/567145649.db2.gz AZXAPGBEAVKAAT-PTNGSMBKSA-N 0 0 296.757 3.600 50 0 CHAARN Fc1ccc(-c2nnc(NCCc3ccccc3)s2)cc1 ZINC000028245072 567149370 /nfs/dbraw/zinc/14/93/70/567149370.db2.gz JRSLNANFGFSMRD-UHFFFAOYSA-N 0 0 299.374 3.999 50 0 CHAARN Cc1ccc(CC(=O)Nc2ccc(F)c(F)c2F)cc1C ZINC000002648259 567151107 /nfs/dbraw/zinc/15/11/07/567151107.db2.gz TVGNATXMKYZWNI-UHFFFAOYSA-N 0 0 293.288 3.902 50 0 CHAARN Cc1cccc(C(=O)Nc2nnc(CC(C)C)s2)c1C ZINC000002642099 567151125 /nfs/dbraw/zinc/15/11/25/567151125.db2.gz BKZSLWMNCYAGES-UHFFFAOYSA-N 0 0 289.404 3.606 50 0 CHAARN O=C(OCCOc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000002652843 567151380 /nfs/dbraw/zinc/15/13/80/567151380.db2.gz MRKAOSIRJCHQTI-UHFFFAOYSA-N 0 0 294.709 3.715 50 0 CHAARN Cc1cc2n(n1)[C@H](C(F)F)C[C@@H](c1ccc(C)cc1)N2 ZINC000002784739 567152742 /nfs/dbraw/zinc/15/27/42/567152742.db2.gz WDDIQTCHKILZSD-STQMWFEESA-N 0 0 277.318 3.863 50 0 CHAARN C[C@@H](C(=O)N1CCCC[C@H]1C)n1cc(-c2ccccc2)cn1 ZINC000227165692 567155202 /nfs/dbraw/zinc/15/52/02/567155202.db2.gz RFPUTBXUTQVZHD-CABCVRRESA-N 0 0 297.402 3.512 50 0 CHAARN Cc1ccc(CN(C(=O)C2CCC2)C(C)C)s1 ZINC000057400249 567155253 /nfs/dbraw/zinc/15/52/53/567155253.db2.gz GQRFLBUFIFQWNQ-UHFFFAOYSA-N 0 0 251.395 3.594 50 0 CHAARN C[C@H](C(=O)N1CCCC[C@H]1C)n1cc(-c2ccccc2)cn1 ZINC000227165699 567156081 /nfs/dbraw/zinc/15/60/81/567156081.db2.gz RFPUTBXUTQVZHD-HUUCEWRRSA-N 0 0 297.402 3.512 50 0 CHAARN CCn1cc(C2=N[C@@H](CC(C)C)CO2)c2ccccc21 ZINC000003029758 567158117 /nfs/dbraw/zinc/15/81/17/567158117.db2.gz BGVUABVMKMFELP-ZDUSSCGKSA-N 0 0 270.376 3.853 50 0 CHAARN Cc1noc(C)c1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003105222 567159874 /nfs/dbraw/zinc/15/98/74/567159874.db2.gz KIWOYRYCJJWLRZ-UHFFFAOYSA-N 0 0 285.130 3.851 50 0 CHAARN CCOC(=O)c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000003072084 567160339 /nfs/dbraw/zinc/16/03/39/567160339.db2.gz VFCHCZNMVSOESV-UHFFFAOYSA-N 0 0 284.315 3.507 50 0 CHAARN C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]3CCCC[C@H]32)[C@@H](C)C1 ZINC000230211657 567161187 /nfs/dbraw/zinc/16/11/87/567161187.db2.gz JNVMOAKWMPCOKZ-OLMNGRFOSA-N 0 0 278.440 3.785 50 0 CHAARN CC(C)c1ccccc1NC(=S)NC(=O)c1ccco1 ZINC000003266005 567166222 /nfs/dbraw/zinc/16/62/22/567166222.db2.gz LRMMWBHQNHSBGE-UHFFFAOYSA-N 0 0 288.372 3.530 50 0 CHAARN COc1cccc(-c2csc(NCC(C)C)n2)c1 ZINC000003336814 567170235 /nfs/dbraw/zinc/17/02/35/567170235.db2.gz MLLJVQBOPRNBKW-UHFFFAOYSA-N 0 0 262.378 3.887 50 0 CHAARN CCOc1ccc2oc(C(=O)NCCC(C)C)c(C)c2c1 ZINC000003337194 567170472 /nfs/dbraw/zinc/17/04/72/567170472.db2.gz KJERZLJEFFOYJW-UHFFFAOYSA-N 0 0 289.375 3.916 50 0 CHAARN CCOc1ncccc1C(=O)Nc1c(CC)cccc1CC ZINC000003409419 567171288 /nfs/dbraw/zinc/17/12/88/567171288.db2.gz DQIZACUQUPPTMS-UHFFFAOYSA-N 0 0 298.386 3.857 50 0 CHAARN O=C(Cc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1 ZINC000003365470 567171443 /nfs/dbraw/zinc/17/14/43/567171443.db2.gz XVMHVQQEPLHFDF-UHFFFAOYSA-N 0 0 298.773 3.680 50 0 CHAARN C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc2ccccc2c1 ZINC000003399187 567172212 /nfs/dbraw/zinc/17/22/12/567172212.db2.gz YZMVBMHLLSLHSW-KSSFIOAISA-N 0 0 297.398 3.914 50 0 CHAARN CCCc1nc2c(Cl)cc(Cl)cc2c(=O)n1CC ZINC000058314775 567175810 /nfs/dbraw/zinc/17/58/10/567175810.db2.gz YAVQKRABJYETOR-UHFFFAOYSA-N 0 0 285.174 3.676 50 0 CHAARN CCc1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000003473188 567175917 /nfs/dbraw/zinc/17/59/17/567175917.db2.gz KYXJVQQCWOXGGO-UHFFFAOYSA-N 0 0 278.355 3.912 50 0 CHAARN Cc1ccccc1[C@@H](C)NC(=O)NCc1ccc(F)cc1 ZINC000030982661 567176861 /nfs/dbraw/zinc/17/68/61/567176861.db2.gz YUEKPQHCSCDKLS-CYBMUJFWSA-N 0 0 286.350 3.695 50 0 CHAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc[nH]2)cc1 ZINC000058353001 567179199 /nfs/dbraw/zinc/17/91/99/567179199.db2.gz DIPKUJGTRZJGKF-KRWDZBQOSA-N 0 0 298.386 3.781 50 0 CHAARN CCCCn1c2ccccc2c2c1-c1nonc1CC2 ZINC000003894173 567181563 /nfs/dbraw/zinc/18/15/63/567181563.db2.gz GEQSCUMNVJZVCN-UHFFFAOYSA-N 0 0 267.332 3.590 50 0 aggregator CHAARN Cc1nc(NC(=O)c2cc(C)nc3ccccc32)sc1C ZINC000031813545 567182061 /nfs/dbraw/zinc/18/20/61/567182061.db2.gz SUXZLSFYZHWIMS-UHFFFAOYSA-N 0 0 297.383 3.869 50 0 CHAARN Nc1nnc(SCc2cccc3ccccc32)n1C1CC1 ZINC000031853651 567184023 /nfs/dbraw/zinc/18/40/23/567184023.db2.gz JVKLUHUNKRMZCV-UHFFFAOYSA-N 0 0 296.399 3.641 50 0 CHAARN CC(C)c1csc(Nc2ncnc3ccccc32)n1 ZINC000031949204 567185127 /nfs/dbraw/zinc/18/51/27/567185127.db2.gz QDDCTVOBJDNECU-UHFFFAOYSA-N 0 0 270.361 3.953 50 0 CHAARN O=C(Nc1cccc(Oc2ncccn2)c1)c1cccs1 ZINC000032027764 567186662 /nfs/dbraw/zinc/18/66/62/567186662.db2.gz XFKVLQYNQWBUPT-UHFFFAOYSA-N 0 0 297.339 3.583 50 0 CHAARN CCCCCc1ccc(-c2ccnc(NC#N)n2)cc1 ZINC000032074559 567186807 /nfs/dbraw/zinc/18/68/07/567186807.db2.gz HMHVFODXEOCOSY-UHFFFAOYSA-N 0 0 266.348 3.769 50 0 CHAARN Fc1ccc(Cl)cc1-c1nn2c(nnc2C2CC2)s1 ZINC000032094280 567187232 /nfs/dbraw/zinc/18/72/32/567187232.db2.gz ONBOBCUINOWGIZ-UHFFFAOYSA-N 0 0 294.742 3.523 50 0 CHAARN Nc1nc2c(s1)[C@H](c1ccc(Cl)cc1)CC(=O)N2 ZINC000032092217 567187593 /nfs/dbraw/zinc/18/75/93/567187593.db2.gz TUFOVEUAMULLCC-QMMMGPOBSA-N 0 0 279.752 3.502 50 0 CHAARN O=C(Nc1ccccn1)N1CCC[C@@H]1CCc1ccccc1 ZINC000067538929 567196452 /nfs/dbraw/zinc/19/64/52/567196452.db2.gz DJXMINSJWKDCDB-MRXNPFEDSA-N 0 0 295.386 3.711 50 0 CHAARN O=C(N[C@H]1C[C@@H]1c1ccccc1)C1(c2ccccc2)CCC1 ZINC000067512952 567197066 /nfs/dbraw/zinc/19/70/66/567197066.db2.gz BXLLLBZWPBCJGF-MSOLQXFVSA-N 0 0 291.394 3.781 50 0 CHAARN C[C@@H](c1ccncc1)N(C)Cc1ccc(F)cc1F ZINC000067716153 567197528 /nfs/dbraw/zinc/19/75/28/567197528.db2.gz XTLCLGNQSDHOKD-NSHDSACASA-N 0 0 262.303 3.553 50 0 CHAARN Cc1ccccc1CC(=O)N1CCCc2ccc(F)cc21 ZINC000040117240 567198818 /nfs/dbraw/zinc/19/88/18/567198818.db2.gz BVLNNYDORRGYBL-UHFFFAOYSA-N 0 0 283.346 3.656 50 0 CHAARN O=C(c1cc2c(s1)CCC2)N1CCCc2ccccc21 ZINC000040159833 567199184 /nfs/dbraw/zinc/19/91/84/567199184.db2.gz VBQCMGUXNLSDRR-UHFFFAOYSA-N 0 0 283.396 3.830 50 0 CHAARN Cc1noc(C)c1[C@H](C)C(=O)Nc1nc(C(C)C)cs1 ZINC000069516011 567200196 /nfs/dbraw/zinc/20/01/96/567200196.db2.gz NLWMQKHCUHAYPC-QMMMGPOBSA-N 0 0 293.392 3.614 50 0 CHAARN COCc1ccccc1NC(=O)NCC1CCCCC1 ZINC000069419005 567201120 /nfs/dbraw/zinc/20/11/20/567201120.db2.gz GHXMWMFTZZZCTN-UHFFFAOYSA-N 0 0 276.380 3.535 50 0 CHAARN COCc1ccccc1NC(=O)N(C)[C@H](C)CC(C)C ZINC000069415430 567201230 /nfs/dbraw/zinc/20/12/30/567201230.db2.gz HSJIGFWTVPPBNC-CYBMUJFWSA-N 0 0 278.396 3.731 50 0 CHAARN CC(C)OCCSc1nnc(-c2ccccc2Cl)o1 ZINC000069558425 567202028 /nfs/dbraw/zinc/20/20/28/567202028.db2.gz DBFUZIUDXWBFMM-UHFFFAOYSA-N 0 0 298.795 3.907 50 0 CHAARN 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ZINC000000571603 567833972 /nfs/dbraw/zinc/83/39/72/567833972.db2.gz ZBGCNCFBUZRJGE-UHFFFAOYSA-N 0 0 293.413 3.518 50 0 CHAARN O=c1ccc2ccc(OCc3c(F)cccc3F)cc2o1 ZINC000000612125 567834227 /nfs/dbraw/zinc/83/42/27/567834227.db2.gz KJIBMVGAKGMBAR-UHFFFAOYSA-N 0 0 288.249 3.650 50 0 biogenic CHAARN COc1ccc(C=O)cc1CSc1nc2ccccc2[nH]1 ZINC000000616250 567834469 /nfs/dbraw/zinc/83/44/69/567834469.db2.gz SYPXMILWPQNCMS-UHFFFAOYSA-N 0 0 298.367 3.676 50 0 biogenic,in-vitro CHAARN CCOc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000000621613 567834570 /nfs/dbraw/zinc/83/45/70/567834570.db2.gz MUWWHKSBOHLDPM-CHWSQXEVSA-N 0 0 276.380 3.595 50 0 CHAARN Cc1ccc(NC(=S)Nc2ccc(O)cc2)cc1 ZINC000000619719 567834611 /nfs/dbraw/zinc/83/46/11/567834611.db2.gz BEALDQYVTHSJJF-UHFFFAOYSA-N 0 0 258.346 3.510 50 0 CHAARN CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CCCCC1 ZINC000096026414 567834970 /nfs/dbraw/zinc/83/49/70/567834970.db2.gz ZVVPXXIGFUUHNP-OAHLLOKOSA-N 0 0 275.392 3.555 50 0 CHAARN CCOc1ccc(Cn2c3ccccc3sc2=O)cc1 ZINC000000814288 567835035 /nfs/dbraw/zinc/83/50/35/567835035.db2.gz WYARCHRXYWNBGK-UHFFFAOYSA-N 0 0 285.368 3.510 50 0 CHAARN COc1ccc(CNC(=O)C[C@H](C)c2ccccc2)cc1 ZINC000000860277 567835156 /nfs/dbraw/zinc/83/51/56/567835156.db2.gz BBCQYMLKCFLNHW-AWEZNQCLSA-N 0 0 283.371 3.505 50 0 biogenic CHAARN Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)cs1 ZINC000001053307 567835584 /nfs/dbraw/zinc/83/55/84/567835584.db2.gz YHQKRXMRVZGMFK-UHFFFAOYSA-N 0 0 257.358 3.798 50 0 CHAARN C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCCO1 ZINC000001053375 567835720 /nfs/dbraw/zinc/83/57/20/567835720.db2.gz YJQXSLSSZAMSGU-KSSFIOAISA-N 0 0 295.382 3.651 50 0 CHAARN Cc1c(C)c(C)c(I)c(C)c1C ZINC000001048859 567835765 /nfs/dbraw/zinc/83/57/65/567835765.db2.gz UXHBVYKGPRUHKM-UHFFFAOYSA-N 0 0 274.145 3.833 50 0 CHAARN CC[C@@H](C(=O)NCc1cccs1)c1ccccc1 ZINC000001056545 567835944 /nfs/dbraw/zinc/83/59/44/567835944.db2.gz YUKTTWXFFFNHKL-CQSZACIVSA-N 0 0 259.374 3.558 50 0 CHAARN Cc1ccc([C@H](C)NC(=O)Cc2cccs2)cc1C ZINC000001056345 567835981 /nfs/dbraw/zinc/83/59/81/567835981.db2.gz DNUIWUTXGKSBEY-ZDUSSCGKSA-N 0 0 273.401 3.785 50 0 CHAARN CNc1cc(CSc2ccc(Cl)cc2)nc(C)n1 ZINC000001388881 567836823 /nfs/dbraw/zinc/83/68/23/567836823.db2.gz YOSCRJPSFMTEEB-UHFFFAOYSA-N 0 0 279.796 3.772 50 0 CHAARN COC(=O)C[C@H](c1ccc(C(C)C)cc1)n1cccc1 ZINC000001396195 567837131 /nfs/dbraw/zinc/83/71/31/567837131.db2.gz SXYLUXYGBGGRPG-MRXNPFEDSA-N 0 0 271.360 3.764 50 0 CHAARN O=C(CSc1ccc(F)cc1)c1ccc(F)cc1 ZINC000001396943 567837268 /nfs/dbraw/zinc/83/72/68/567837268.db2.gz ZMCMNYRXMICJTF-UHFFFAOYSA-N 0 0 264.296 3.940 50 0 CHAARN Cc1ccc(Sc2nc3sccn3c2C=O)cc1 ZINC000001399978 567837338 /nfs/dbraw/zinc/83/73/38/567837338.db2.gz UNIGDMGLJKRXHV-UHFFFAOYSA-N 0 0 274.370 3.668 50 0 CHAARN COc1ccc(C(=O)[C@H]2O[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001406623 567837404 /nfs/dbraw/zinc/83/74/04/567837404.db2.gz GXXVVGZUYDEJAQ-HZPDHXFCSA-N 0 0 288.730 3.671 50 0 CHAARN CSc1nc(Cl)cc(Nc2ccc(F)cc2)n1 ZINC000001398048 567837416 /nfs/dbraw/zinc/83/74/16/567837416.db2.gz RVXPEKNZBLAXJM-UHFFFAOYSA-N 0 0 269.732 3.735 50 0 CHAARN Nc1nc(COc2ccc(Cl)cc2Cl)cs1 ZINC000001476083 567837557 /nfs/dbraw/zinc/83/75/57/567837557.db2.gz GFSXHILIKBSMEL-UHFFFAOYSA-N 0 0 275.160 3.611 50 0 CHAARN Nc1ccc(-c2ccc(I)cc2)cc1 ZINC000001603241 567839386 /nfs/dbraw/zinc/83/93/86/567839386.db2.gz MSHUACKEOWOIGP-UHFFFAOYSA-N 0 0 295.123 3.540 50 0 CHAARN CCCCOc1ccccc1NC(=O)c1cccnc1 ZINC000001777601 567843390 /nfs/dbraw/zinc/84/33/90/567843390.db2.gz UWAUACXNLBCLAX-UHFFFAOYSA-N 0 0 270.332 3.513 50 0 CHAARN CCCC[C@@H](CC)C(=O)Oc1ccccc1OC ZINC000002065816 567844505 /nfs/dbraw/zinc/84/45/05/567844505.db2.gz JXFHZQSEECYEOP-GFCCVEGCSA-N 0 0 250.338 3.817 50 0 CHAARN C=CC(=O)OCCn1c2ccccc2c2ccccc21 ZINC000002159759 567844752 /nfs/dbraw/zinc/84/47/52/567844752.db2.gz KOHMQTTZAWPDNE-UHFFFAOYSA-N 0 0 265.312 3.524 50 0 CHAARN CCCCC(=O)Nc1ccc(C)cc1Br ZINC000002083611 567844918 /nfs/dbraw/zinc/84/49/18/567844918.db2.gz IXFLCMYEDYOEDS-UHFFFAOYSA-N 0 0 270.170 3.886 50 0 CHAARN Cc1nn2c(nc(C)cc2NC(C)C)c1-c1ccccc1 ZINC000002201374 567845054 /nfs/dbraw/zinc/84/50/54/567845054.db2.gz CQLRPTAZIINULV-UHFFFAOYSA-N 0 0 280.375 3.833 50 0 CHAARN COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002169267 567845107 /nfs/dbraw/zinc/84/51/07/567845107.db2.gz LTYNBDAJUXZFHP-UHFFFAOYSA-N 0 0 272.144 3.511 50 0 CHAARN CCCOC(=O)c1c(N)scc1-c1ccc(C)cc1 ZINC000002387688 567845862 /nfs/dbraw/zinc/84/58/62/567845862.db2.gz KCBQLCZOZOIVJP-UHFFFAOYSA-N 0 0 275.373 3.873 50 0 CHAARN Cc1n[nH]c(C)c1CCCCCOc1ccccc1F ZINC000002497263 567845906 /nfs/dbraw/zinc/84/59/06/567845906.db2.gz YZZKYRVOMDNYLU-UHFFFAOYSA-N 0 0 276.355 3.957 50 0 CHAARN COC(=O)N[C@H]1c2ccccc2Oc2ccc(Cl)cc21 ZINC000002387850 567846013 /nfs/dbraw/zinc/84/60/13/567846013.db2.gz PALNYLQPUKZFGP-AWEZNQCLSA-N 0 0 289.718 3.891 50 0 CHAARN COc1ccc(-c2nnc(Cl)c3ccccc32)cc1 ZINC000002505846 567846318 /nfs/dbraw/zinc/84/63/18/567846318.db2.gz DZYAPEMXDAIQLY-UHFFFAOYSA-N 0 0 270.719 3.959 50 0 CHAARN O=C(c1cccc(CN2CC=CC2)c1)C1CCCCC1 ZINC000002515427 567846580 /nfs/dbraw/zinc/84/65/80/567846580.db2.gz YRORKLPPYMPZIX-UHFFFAOYSA-N 0 0 269.388 3.821 50 0 CHAARN COc1ccc(C(=O)CCc2ccccc2C)cc1 ZINC000002516364 567846595 /nfs/dbraw/zinc/84/65/95/567846595.db2.gz GRMSIAOXMCYUIV-UHFFFAOYSA-N 0 0 254.329 3.819 50 0 CHAARN O=C(c1cccc(CN2CC=CC2)c1)c1ccccc1Cl ZINC000002515406 567846736 /nfs/dbraw/zinc/84/67/36/567846736.db2.gz BZPCMCGQCDZMHU-UHFFFAOYSA-N 0 0 297.785 3.943 50 0 CHAARN O=C(c1cccc(Cl)c1)c1cccc(CN2CC=CC2)c1 ZINC000002515393 567846777 /nfs/dbraw/zinc/84/67/77/567846777.db2.gz AMLYXFWSPUNDKP-UHFFFAOYSA-N 0 0 297.785 3.943 50 0 CHAARN COc1ccc(CCC(=O)c2cccc(OC)c2)cc1 ZINC000002516546 567846785 /nfs/dbraw/zinc/84/67/85/567846785.db2.gz AIXSIBJUYBANAB-UHFFFAOYSA-N 0 0 270.328 3.519 50 0 CHAARN O=C(c1ccccc1Cl)c1ccccc1CN1CC=CC1 ZINC000002515901 567846790 /nfs/dbraw/zinc/84/67/90/567846790.db2.gz VXOSCJREOHZSLH-UHFFFAOYSA-N 0 0 297.785 3.943 50 0 CHAARN O=C(CCc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000002517412 567847208 /nfs/dbraw/zinc/84/72/08/567847208.db2.gz WCZSGSWUBIDLEL-UHFFFAOYSA-N 0 0 264.246 3.919 50 0 CHAARN CC1(C)COC(CCCC(=O)c2ccc(F)cc2)OC1 ZINC000002518055 567847398 /nfs/dbraw/zinc/84/73/98/567847398.db2.gz PGRNPVZWWUSQLA-UHFFFAOYSA-N 0 0 280.339 3.578 50 0 CHAARN CCC(C)(C)c1ccc(O)c(-c2csc(N)n2)c1 ZINC000002533982 567847877 /nfs/dbraw/zinc/84/78/77/567847877.db2.gz ROMKLDLSOZMHMF-UHFFFAOYSA-N 0 0 262.378 3.786 50 0 CHAARN Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000002540159 567847890 /nfs/dbraw/zinc/84/78/90/567847890.db2.gz ZDOAHMKYIMHORO-UHFFFAOYSA-N 0 0 255.033 3.656 50 0 CHAARN Cc1ccc(-c2nn(Cc3ccccc3)cc2C=O)cc1 ZINC000002558265 567848127 /nfs/dbraw/zinc/84/81/27/567848127.db2.gz DXDSVGUXUANIKU-UHFFFAOYSA-N 0 0 276.339 3.719 50 0 CHAARN COC(=O)c1cccc(COc2cc(C)cc(C)c2)c1 ZINC000002549404 567848242 /nfs/dbraw/zinc/84/82/42/567848242.db2.gz WPZDIBRPBIXICZ-UHFFFAOYSA-N 0 0 270.328 3.669 50 0 CHAARN CC[C@H]1CCCCN1C(=O)c1cc(-c2cccs2)on1 ZINC000002602356 567848684 /nfs/dbraw/zinc/84/86/84/567848684.db2.gz KJKMKRVNJOPISC-NSHDSACASA-N 0 0 290.388 3.808 50 0 CHAARN O=C(NCc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000002628997 567848810 /nfs/dbraw/zinc/84/88/10/567848810.db2.gz QKQQHHUNEJEZDV-UHFFFAOYSA-N 0 0 297.251 3.775 50 0 CHAARN CCCN(CCC)C(=O)c1ccccc1Br ZINC000002745426 567849131 /nfs/dbraw/zinc/84/91/31/567849131.db2.gz IJCHZDRKGWURPI-UHFFFAOYSA-N 0 0 284.197 3.711 50 0 CHAARN CCCC[C@H](CC)CNC(=O)C(Cl)(Cl)Cl ZINC000002741753 567849201 /nfs/dbraw/zinc/84/92/01/567849201.db2.gz KLPOENYMYNCXQY-QMMMGPOBSA-N 0 0 274.619 3.689 50 0 CHAARN CC[C@H](C)c1ccc(NC(=O)c2cnn(CC)c2C)cc1 ZINC000002760100 567849218 /nfs/dbraw/zinc/84/92/18/567849218.db2.gz FDADSFWDWCYCLY-LBPRGKRZSA-N 0 0 285.391 3.977 50 0 CHAARN CCCC[C@@H](CC)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000002813372 567849452 /nfs/dbraw/zinc/84/94/52/567849452.db2.gz MNSPMGMMJFURAB-SSDOTTSWSA-N 0 0 295.330 3.712 50 0 CHAARN O=C(/C=C/c1cccs1)NCCCCc1ccccc1 ZINC000002773732 567849481 /nfs/dbraw/zinc/84/94/81/567849481.db2.gz MCGXFJUVWFVCJR-VAWYXSNFSA-N 0 0 285.412 3.900 50 0 CHAARN Cc1ccc(CSCCNC(=O)c2ccc(C)cc2)cc1 ZINC000002845815 567849564 /nfs/dbraw/zinc/84/95/64/567849564.db2.gz SDYMHENLYSZPCW-UHFFFAOYSA-N 0 0 299.439 3.967 50 0 CHAARN CSc1ccccc1C(=O)Nc1ccc(F)c(F)c1 ZINC000002871585 567849776 /nfs/dbraw/zinc/84/97/76/567849776.db2.gz KGDDAQRJSPHORL-UHFFFAOYSA-N 0 0 279.311 3.939 50 0 CHAARN CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 ZINC000002882191 567850232 /nfs/dbraw/zinc/85/02/32/567850232.db2.gz IZGXZYOIZJZJKC-AWEZNQCLSA-N 0 0 297.354 3.604 50 0 CHAARN c1ccc(-c2nnc(CN3CCCc4ccccc43)o2)cc1 ZINC000002890914 567850295 /nfs/dbraw/zinc/85/02/95/567850295.db2.gz GOTFOTVSQWHRPI-UHFFFAOYSA-N 0 0 291.354 3.689 50 0 aggregator CHAARN Cc1ccccc1NC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000002880973 567850366 /nfs/dbraw/zinc/85/03/66/567850366.db2.gz GADKGNTVMDDTKG-UHFFFAOYSA-N 0 0 291.354 3.807 50 0 CHAARN COc1ccc(OCCCOc2cccc(C)c2)cc1 ZINC000002904105 567850525 /nfs/dbraw/zinc/85/05/25/567850525.db2.gz FIHQKSBAKNETFJ-UHFFFAOYSA-N 0 0 272.344 3.852 50 0 CHAARN c1ccc(C2=NNC3(S2)C2CC4CC(C2)CC3C4)cc1 ZINC000002918987 567850577 /nfs/dbraw/zinc/85/05/77/567850577.db2.gz SUBSLBGGPRTQTR-UHFFFAOYSA-N 0 0 284.428 3.837 50 0 CHAARN CCCCNC(=O)Oc1ccc(SC)c(C)c1 ZINC000003086156 567851159 /nfs/dbraw/zinc/85/11/59/567851159.db2.gz SRKWPKJBGDERDT-UHFFFAOYSA-N 0 0 253.367 3.605 50 0 CHAARN C[C@@H](Oc1ccc(Cl)cc1Cl)c1ccnc(N)n1 ZINC000003017399 567851420 /nfs/dbraw/zinc/85/14/20/567851420.db2.gz VLDWDWRZHBBJLU-SSDOTTSWSA-N 0 0 284.146 3.506 50 0 CHAARN Oc1ccccc1OCCCCCOc1ccccc1O ZINC000003119083 567851543 /nfs/dbraw/zinc/85/15/43/567851543.db2.gz SDZKIPJKCIJYAS-UHFFFAOYSA-N 0 0 288.343 3.726 50 0 CHAARN CCCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000003132176 567851623 /nfs/dbraw/zinc/85/16/23/567851623.db2.gz WGSJUYGDRVTDJJ-UHFFFAOYSA-N 0 0 253.345 3.884 50 0 CHAARN Cc1cc2sc(NC(=O)C(C)(C)C)nc2c(C)c1 ZINC000003266990 567851913 /nfs/dbraw/zinc/85/19/13/567851913.db2.gz 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CN(C)c1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000006832176 170247960 /nfs/dbraw/zinc/24/79/60/170247960.db2.gz CFBBHSDZYBLWHC-UHFFFAOYSA-N 0 0 274.751 3.658 50 0 CHAARN Cc1ccccc1C(=O)OCc1nc2ccccc2s1 ZINC000006868358 170251425 /nfs/dbraw/zinc/25/14/25/170251425.db2.gz KQIOHZIBPZRZBU-UHFFFAOYSA-N 0 0 283.352 3.962 50 0 CHAARN Cc1noc(C)c1CCC(=O)Nc1ccc(Cl)cc1F ZINC000006879495 170252056 /nfs/dbraw/zinc/25/20/56/170252056.db2.gz YJYOTTFNZVHZCA-UHFFFAOYSA-N 0 0 296.729 3.655 50 0 CHAARN CC(C)(C)c1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 ZINC000006883040 170252811 /nfs/dbraw/zinc/25/28/11/170252811.db2.gz GUJKJYDDCKTWFO-UHFFFAOYSA-N 0 0 293.370 3.535 50 0 CHAARN COc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1 ZINC000006897066 170254147 /nfs/dbraw/zinc/25/41/47/170254147.db2.gz XYEBILFXZAYHRH-UHFFFAOYSA-N 0 0 299.223 3.504 50 0 CHAARN COc1ccc(C(=O)CCC(=O)Nc2ccccc2C)cc1 ZINC000006947246 170257883 /nfs/dbraw/zinc/25/78/83/170257883.db2.gz GPONLXDTPCQUAY-UHFFFAOYSA-N 0 0 297.354 3.605 50 0 CHAARN 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Cc1noc(C(C)C)c1C(=O)N[C@H]1CCCc2ccccc21 ZINC000007278141 170275988 /nfs/dbraw/zinc/27/59/88/170275988.db2.gz VKAILBVQGIWECN-HNNXBMFYSA-N 0 0 298.386 3.914 50 0 CHAARN c1ccc2sc(CSc3nnc(C4CC4)o3)nc2c1 ZINC000007288657 170276536 /nfs/dbraw/zinc/27/65/36/170276536.db2.gz MPWONVNTRUXCLB-UHFFFAOYSA-N 0 0 289.385 3.849 50 0 CHAARN Cc1noc(C)c1CCC(=O)Nc1cc(Cl)ccc1C ZINC000007399023 170282551 /nfs/dbraw/zinc/28/25/51/170282551.db2.gz QCIRNLVRIFSNRR-UHFFFAOYSA-N 0 0 292.766 3.825 50 0 CHAARN COc1ccc(C(=O)O[C@H]2CCCCC2=O)c2ccccc12 ZINC000007496571 170287001 /nfs/dbraw/zinc/28/70/01/170287001.db2.gz XEBRUWBYCQWDKJ-KRWDZBQOSA-N 0 0 298.338 3.517 50 0 CHAARN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccn1 ZINC000007597413 170292507 /nfs/dbraw/zinc/29/25/07/170292507.db2.gz HRYXXSNAWBATCV-SNVBAGLBSA-N 0 0 294.276 3.591 50 0 CHAARN O=C(Nc1ccc(Br)cc1)[C@H]1CC=CCC1 ZINC000007609516 170293649 /nfs/dbraw/zinc/29/36/49/170293649.db2.gz QCSHFLQAESJMKF-JTQLQIEISA-N 0 0 280.165 3.744 50 0 CHAARN O=C(Nc1ccc(F)cc1)c1c(F)cccc1Cl ZINC000007639036 170294886 /nfs/dbraw/zinc/29/48/86/170294886.db2.gz KYWILUYHMXKPHC-UHFFFAOYSA-N 0 0 267.662 3.871 50 0 CHAARN COc1ccc(Cl)cc1NC(=O)c1cc(F)cc(F)c1 ZINC000007655488 170296029 /nfs/dbraw/zinc/29/60/29/170296029.db2.gz KKMZXFQIOWNWCK-UHFFFAOYSA-N 0 0 297.688 3.879 50 0 CHAARN CSc1ncccc1C(=O)Nc1cccc2ncccc21 ZINC000007717483 170299081 /nfs/dbraw/zinc/29/90/81/170299081.db2.gz CVMVMMSMLIRCOZ-UHFFFAOYSA-N 0 0 295.367 3.604 50 0 CHAARN C[C@H]1Cc2ccccc2N1Cc1ccc(-n2ccnc2)cc1 ZINC000007738376 170299686 /nfs/dbraw/zinc/29/96/86/170299686.db2.gz ZARFRCIHTURGPR-HNNXBMFYSA-N 0 0 289.382 3.824 50 0 CHAARN O=C(/C=C/Sc1ccccc1)Nc1ccccc1 ZINC000007755560 170300824 /nfs/dbraw/zinc/30/08/24/170300824.db2.gz BFBSDTVOZQLBTG-VAWYXSNFSA-N 0 0 255.342 3.931 50 0 CHAARN COc1cc(C(=O)Nc2cccc(C)c2)ccc1C ZINC000007756224 170300919 /nfs/dbraw/zinc/30/09/19/170300919.db2.gz YXPSUVGMPWQUFF-UHFFFAOYSA-N 0 0 255.317 3.564 50 0 CHAARN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1C 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170304354 /nfs/dbraw/zinc/30/43/54/170304354.db2.gz AMMRWEIECNVXOS-SNVBAGLBSA-N 0 0 275.348 3.647 50 0 CHAARN c1sc(-c2ccccn2)nc1-c1ccc2c(c1)OCCO2 ZINC000007845348 170304717 /nfs/dbraw/zinc/30/47/17/170304717.db2.gz MHPGESWSWADMSC-UHFFFAOYSA-N 0 0 296.351 3.643 50 0 CHAARN CNc1nc(-c2ccc(OC)c(Br)c2)cs1 ZINC000007844462 170305011 /nfs/dbraw/zinc/30/50/11/170305011.db2.gz KYRXLNCYUHEPTM-UHFFFAOYSA-N 0 0 299.193 3.623 50 0 CHAARN Cc1c2ccccc2sc1C(=O)NCc1ccccn1 ZINC000007847911 170305121 /nfs/dbraw/zinc/30/51/21/170305121.db2.gz MLQBVUGDOLBSFV-UHFFFAOYSA-N 0 0 282.368 3.535 50 0 CHAARN O=C(Nc1cccc(F)c1)c1ccc2c(c1)CCC2 ZINC000007888978 170306157 /nfs/dbraw/zinc/30/61/57/170306157.db2.gz GEUOSGAFFYXHMR-UHFFFAOYSA-N 0 0 255.292 3.567 50 0 CHAARN Cc1ccsc1CN(C)C(=O)Cc1c[nH]c2ccccc12 ZINC000007898137 170306974 /nfs/dbraw/zinc/30/69/74/170306974.db2.gz FPSCNBAHYTYJJC-UHFFFAOYSA-N 0 0 298.411 3.739 50 0 CHAARN Cc1c(Cl)cccc1NC(=O)[C@H]1Cc2ccccc2O1 ZINC000007947344 170308792 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O=C(Nc1cccc2ncccc21)N1CCCCCC1 ZINC000040103581 174191297 /nfs/dbraw/zinc/19/12/97/174191297.db2.gz SJPYGIHJBNEAKX-UHFFFAOYSA-N 0 0 269.348 3.643 50 0 CHAARN O=C(c1cccs1)N1CCC[C@H]1c1ccsc1 ZINC000040107724 174192049 /nfs/dbraw/zinc/19/20/49/174192049.db2.gz DYUOTQUSMYNXJL-NSHDSACASA-N 0 0 263.387 3.787 50 0 CHAARN O=C(c1ccc2c(c1)CCO2)N1CCC[C@H]1c1ccsc1 ZINC000040107758 174192186 /nfs/dbraw/zinc/19/21/86/174192186.db2.gz BDFNHXMYFQWFBG-HNNXBMFYSA-N 0 0 299.395 3.660 50 0 CHAARN Cc1cc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)sc1C ZINC000040108234 174192309 /nfs/dbraw/zinc/19/23/09/174192309.db2.gz QBRMVSMLNQTGQO-FZMZJTMJSA-N 0 0 295.448 3.690 50 0 CHAARN CC(C)(C)CC(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000040145425 174194704 /nfs/dbraw/zinc/19/47/04/174194704.db2.gz HSOUMNLKFJIKCU-LBPRGKRZSA-N 0 0 273.298 3.842 50 0 CHAARN COc1ccc(NC(=O)N(CC(C)C)C(C)C)cc1 ZINC000040153506 174194739 /nfs/dbraw/zinc/19/47/39/174194739.db2.gz VUJSNGCZXJXRTI-UHFFFAOYSA-N 0 0 264.369 3.594 50 0 CHAARN CN(Cc1c(F)cccc1Cl)C(=O)c1cccs1 ZINC000040159554 174195520 /nfs/dbraw/zinc/19/55/20/174195520.db2.gz JSPFQSDDCUARJD-UHFFFAOYSA-N 0 0 283.755 3.813 50 0 CHAARN CC(C)(C)CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000040160281 174195835 /nfs/dbraw/zinc/19/58/35/174195835.db2.gz SFZACRYORBDCLR-UHFFFAOYSA-N 0 0 273.298 3.758 50 0 CHAARN O=C1COc2cc(OCc3ccc(F)cc3Cl)ccc21 ZINC000040217203 174205369 /nfs/dbraw/zinc/20/53/69/174205369.db2.gz RYEOYSHDMKJVKW-UHFFFAOYSA-N 0 0 292.693 3.633 50 0 CHAARN CC(=O)c1ccc(NC(=O)c2ccc3c(ccn3C)c2)cc1 ZINC000040268064 174218568 /nfs/dbraw/zinc/21/85/68/174218568.db2.gz DERRYMNGBMWCRN-UHFFFAOYSA-N 0 0 292.338 3.633 50 0 CHAARN Cn1ccc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc21 ZINC000040310092 174230380 /nfs/dbraw/zinc/23/03/80/174230380.db2.gz YHBRWFZMICIWRO-UHFFFAOYSA-N 0 0 289.338 3.912 50 0 biogenic CHAARN Cn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2ccccc21 ZINC000040312762 174231806 /nfs/dbraw/zinc/23/18/06/174231806.db2.gz JUMIYHHVTGXXEI-UHFFFAOYSA-N 0 0 289.338 3.912 50 0 biogenic CHAARN 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/nfs/dbraw/zinc/06/08/59/567060859.db2.gz RISPVSSTHLNTIT-UHFFFAOYSA-N 0 0 298.367 3.781 50 0 CHAARN C[C@@H]1CCCC[C@@H]1OCC(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000252515558 567062645 /nfs/dbraw/zinc/06/26/45/567062645.db2.gz LNWXUPKUVXVJTR-WCVJEAGWSA-N 0 0 281.440 3.619 50 0 CHAARN COc1ccc(CNc2ncnc3c(C)cccc23)cc1C ZINC000170673513 567065353 /nfs/dbraw/zinc/06/53/53/567065353.db2.gz ZUCYETRHUNTLLI-UHFFFAOYSA-N 0 0 293.370 3.867 50 0 CHAARN C[C@@H]1CCN(C(=O)CC[C@H]2CCCO2)[C@@H](c2ccco2)C1 ZINC000195531439 567070050 /nfs/dbraw/zinc/07/00/50/567070050.db2.gz KFKLXQUBBKVNPA-RBSFLKMASA-N 0 0 291.391 3.538 50 0 CHAARN C[C@H](CC1CC1)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000195566335 567070196 /nfs/dbraw/zinc/07/01/96/567070196.db2.gz VBZZPFDQXWKLCD-MLCYQJTMSA-N 0 0 285.840 3.819 50 0 CHAARN CSc1nc2ccc3nc(NC(C)=O)sc3c2s1 ZINC000002483589 567073695 /nfs/dbraw/zinc/07/36/95/567073695.db2.gz ZCAUMXPDXQTTQK-UHFFFAOYSA-N 0 0 295.414 3.586 50 0 CHAARN O[C@]1(c2ccccc2)CC[C@@H]2[C@H]1CC[C@]2(O)c1ccccc1 ZINC000044477577 567087388 /nfs/dbraw/zinc/08/73/88/567087388.db2.gz BGPALYKOUQFTBY-ZRNYENFQSA-N 0 0 294.394 3.582 50 0 CHAARN O=C(CCC(F)(F)F)N1CCc2c(Cl)cccc2C1 ZINC000080415946 567090012 /nfs/dbraw/zinc/09/00/12/567090012.db2.gz YXSSFEGAGQFLPA-UHFFFAOYSA-N 0 0 291.700 3.567 50 0 CHAARN c1cc2c(s1)SCc1ccccc1[C@H]2[C@H]1C=NC=N1 ZINC000138105496 567092688 /nfs/dbraw/zinc/09/26/88/567092688.db2.gz MZOISKJAKIFWPQ-ZIAGYGMSSA-N 0 0 284.409 3.967 50 0 CHAARN Cc1ncsc1NC(=O)CCCOc1cccc(C)c1 ZINC000253420658 567097920 /nfs/dbraw/zinc/09/79/20/567097920.db2.gz KOUPXQDOEJFHTP-UHFFFAOYSA-N 0 0 290.388 3.558 50 0 CHAARN O=Cc1ccc(C(F)(F)F)nc1-c1cccc(F)c1 ZINC000514278890 567108515 /nfs/dbraw/zinc/10/85/15/567108515.db2.gz DLZKNBFZKXMNNF-UHFFFAOYSA-N 0 0 269.197 3.719 50 0 CHAARN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccncc2)cc1 ZINC000012544957 567105972 /nfs/dbraw/zinc/10/59/72/567105972.db2.gz XGVKPBAOYGBUAV-INIZCTEOSA-N 0 0 281.359 3.759 50 0 CHAARN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccncc2)cc1 ZINC000012544956 567107058 /nfs/dbraw/zinc/10/70/58/567107058.db2.gz XGVKPBAOYGBUAV-MRXNPFEDSA-N 0 0 281.359 3.759 50 0 CHAARN CC(C)(C)OCc1cc(Br)ccc1F ZINC000230537161 567107905 /nfs/dbraw/zinc/10/79/05/567107905.db2.gz GIPQGBLNUGGCSA-UHFFFAOYSA-N 0 0 261.134 3.903 50 0 CHAARN O=Cc1ccc(C(F)(F)F)nc1-c1ccc(F)cc1 ZINC000514278989 567108475 /nfs/dbraw/zinc/10/84/75/567108475.db2.gz ZQBWPUQDQJPKFQ-UHFFFAOYSA-N 0 0 269.197 3.719 50 0 CHAARN O=C(/C=C/c1ccccc1)NCC1(c2ccccc2)CCC1 ZINC000010221297 567113062 /nfs/dbraw/zinc/11/30/62/567113062.db2.gz NPHFTUVDBSBGGW-OUKQBFOZSA-N 0 0 291.394 3.938 50 0 CHAARN Cc1ccc(C(=O)N2CC[C@@H](C)c3ccccc32)c(C)n1 ZINC000055341833 567116526 /nfs/dbraw/zinc/11/65/26/567116526.db2.gz IOPYCWRJHCPFFT-GFCCVEGCSA-N 0 0 280.371 3.852 50 0 CHAARN CC1(C)N=C(c2ccccc2)[C@@H]2[C@H](c3ccccc3)N21 ZINC000013139734 567116839 /nfs/dbraw/zinc/11/68/39/567116839.db2.gz SMTPRAOVWHJEDI-QJNHQHDKSA-N 0 0 262.356 3.651 50 0 CHAARN CCOc1ccc(-c2n[nH]cc2-c2ccccc2)c(O)c1 ZINC000013126706 567117126 /nfs/dbraw/zinc/11/71/26/567117126.db2.gz TZIHFGCOZNRIDL-UHFFFAOYSA-N 0 0 280.327 3.848 50 0 CHAARN CC/C=C(/C)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000079360998 567122031 /nfs/dbraw/zinc/12/20/31/567122031.db2.gz VNSKFHNBTNWUQS-HIZXUYSRSA-N 0 0 299.823 3.513 50 0 CHAARN CC/C=C(/C)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000079361001 567122228 /nfs/dbraw/zinc/12/22/28/567122228.db2.gz VNSKFHNBTNWUQS-AJWDXOCTSA-N 0 0 299.823 3.513 50 0 CHAARN CC/C=C(/C)C(=O)N[C@@H](c1ncccc1C)C(C)C ZINC000096406297 567143063 /nfs/dbraw/zinc/14/30/63/567143063.db2.gz ZRHLWHNYHJIVHC-YLHGKKIISA-N 0 0 260.381 3.560 50 0 CHAARN C[C@H](Cc1ccco1)NC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000079416707 567123742 /nfs/dbraw/zinc/12/37/42/567123742.db2.gz CXEJEOCPRYVFGU-RHSMWYFYSA-N 0 0 298.386 3.757 50 0 CHAARN O=C(N[C@H](c1ccsc1)c1cccs1)c1ccco1 ZINC000390826795 567125516 /nfs/dbraw/zinc/12/55/16/567125516.db2.gz PQWJQFJSCIXGSD-CYBMUJFWSA-N 0 0 289.381 3.922 50 0 CHAARN CC(C)NC(=O)Nc1ccccc1-c1cn2ccccc2n1 ZINC000390829429 567126057 /nfs/dbraw/zinc/12/60/57/567126057.db2.gz YPNCPIPSAQKMHO-UHFFFAOYSA-N 0 0 294.358 3.531 50 0 CHAARN CC[C@H](COc1cccc(C)c1)NC(=O)c1ccc(C)cc1 ZINC000080345308 567128531 /nfs/dbraw/zinc/12/85/31/567128531.db2.gz SHAUWSCZZMIGJS-QGZVFWFLSA-N 0 0 297.398 3.891 50 0 CHAARN Cc1cccc(OCCNc2nc(-c3ccccc3)no2)c1 ZINC000095393761 567129681 /nfs/dbraw/zinc/12/96/81/567129681.db2.gz QCOSDKMQWARFLF-UHFFFAOYSA-N 0 0 295.342 3.536 50 0 CHAARN CC[C@@H](SC)C(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000095431434 567134828 /nfs/dbraw/zinc/13/48/28/567134828.db2.gz ZLKMXCUATAYNGW-CQSZACIVSA-N 0 0 281.421 3.904 50 0 CHAARN O=C(CC1(n2cccc2)CCCCC1)Nc1ccncc1 ZINC000095475305 567136503 /nfs/dbraw/zinc/13/65/03/567136503.db2.gz YCLZSMVPNDZVTK-UHFFFAOYSA-N 0 0 283.375 3.571 50 0 CHAARN CC[C@H](C)[C@@H]1CCCCN1c1ccc(C(F)(F)F)nn1 ZINC000095985533 567136692 /nfs/dbraw/zinc/13/66/92/567136692.db2.gz WBBSHRGEYHVTAG-QWRGUYRKSA-N 0 0 287.329 3.900 50 0 CHAARN CC(C)CNC(=O)c1ccc(Oc2cccc(F)c2)o1 ZINC000096183961 567139356 /nfs/dbraw/zinc/13/93/56/567139356.db2.gz HIDCAGOGFOQLTL-UHFFFAOYSA-N 0 0 277.295 3.597 50 0 CHAARN COc1cc(C(=O)Nc2nc3ccccc3s2)ccc1C ZINC000021598949 567140275 /nfs/dbraw/zinc/14/02/75/567140275.db2.gz XNJYXCSOAPUXGV-UHFFFAOYSA-N 0 0 298.367 3.866 50 0 CHAARN CCSc1ccccc1OC(=O)c1csc(C)n1 ZINC000096407388 567142782 /nfs/dbraw/zinc/14/27/82/567142782.db2.gz QJQWXXXOMJFUCR-UHFFFAOYSA-N 0 0 279.386 3.783 50 0 CHAARN Cc1n[nH]c(C)c1NC(=O)CSCC1CCCCCC1 ZINC000097115488 567143045 /nfs/dbraw/zinc/14/30/45/567143045.db2.gz QMRCWZDFPKDFLW-UHFFFAOYSA-N 0 0 295.452 3.669 50 0 CHAARN CC(C)CC(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 ZINC000028221182 567148060 /nfs/dbraw/zinc/14/80/60/567148060.db2.gz IBABJXWWXCAETR-CQSZACIVSA-N 0 0 270.376 3.701 50 0 CHAARN Cc1occc1C(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 ZINC000028220997 567148514 /nfs/dbraw/zinc/14/85/14/567148514.db2.gz GUPSXIKYDHDKKY-ZDUSSCGKSA-N 0 0 294.354 3.870 50 0 CHAARN CC(C)Sc1nnc(Nc2ccccc2)s1 ZINC000002651134 567151376 /nfs/dbraw/zinc/15/13/76/567151376.db2.gz AVTAZXQGCNSUPN-UHFFFAOYSA-N 0 0 251.380 3.782 50 0 CHAARN CCc1ccc(N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000028875095 567153290 /nfs/dbraw/zinc/15/32/90/567153290.db2.gz IFTGPQGROJABMB-CABCVRRESA-N 0 0 296.414 3.927 50 0 CHAARN Cc1cc(-c2nnc(NC(=O)Nc3ccccc3)o2)c(C)o1 ZINC000056905716 567155877 /nfs/dbraw/zinc/15/58/77/567155877.db2.gz DURHZQLWRMNQCK-UHFFFAOYSA-N 0 0 298.302 3.590 50 0 CHAARN CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 ZINC000057510812 567157708 /nfs/dbraw/zinc/15/77/08/567157708.db2.gz AONWNIRBIDNWMK-UHFFFAOYSA-N 0 0 275.764 3.772 50 0 CHAARN C[C@@H](Oc1ccccc1)c1ccnn1C(=O)c1ccccc1 ZINC000003027692 567158356 /nfs/dbraw/zinc/15/83/56/567158356.db2.gz MWCSAJIQOGGNNE-CQSZACIVSA-N 0 0 292.338 3.712 50 0 CHAARN COCCNc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000003331108 567170127 /nfs/dbraw/zinc/17/01/27/567170127.db2.gz MCZFKCBNXOFUEH-UHFFFAOYSA-N 0 0 276.405 3.794 50 0 CHAARN Cc1cn2nc(N3CCC[C@@H]3CC(C)(C)C)sc2n1 ZINC000057831210 567162725 /nfs/dbraw/zinc/16/27/25/567162725.db2.gz POBXWLLRWRDSSC-LLVKDONJSA-N 0 0 278.425 3.504 50 0 CHAARN COc1ccccc1NC(=O)c1ccc2ccccc2c1O ZINC000003151812 567163195 /nfs/dbraw/zinc/16/31/95/567163195.db2.gz FOXHGFAYNSVJSF-UHFFFAOYSA-N 0 0 293.322 3.806 50 0 CHAARN CCc1ccc(C(=O)COC(=O)CCc2ccccc2)cc1 ZINC000003273876 567164873 /nfs/dbraw/zinc/16/48/73/567164873.db2.gz JAHIJPOADLAFOW-UHFFFAOYSA-N 0 0 296.366 3.608 50 0 CHAARN Cc1noc(C)c1CSc1ncnc2sccc21 ZINC000003255865 567165087 /nfs/dbraw/zinc/16/50/87/567165087.db2.gz OMNBJHPUQCVEHZ-UHFFFAOYSA-N 0 0 277.374 3.588 50 0 CHAARN CCSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000003329321 567169904 /nfs/dbraw/zinc/16/99/04/567169904.db2.gz QMOGFYCWEOGYKE-UHFFFAOYSA-N 0 0 285.372 3.698 50 0 CHAARN Cc1ccccc1-c1nnc(-c2ccc(F)cc2)o1 ZINC000030823121 567171916 /nfs/dbraw/zinc/17/19/16/567171916.db2.gz UAFFMPHHMNTHOI-UHFFFAOYSA-N 0 0 254.264 3.851 50 0 CHAARN Cc1ccc(NC(=O)N(C)CCOc2ccccc2)cc1 ZINC000003359279 567172066 /nfs/dbraw/zinc/17/20/66/567172066.db2.gz DEKISAPEIZZUKL-UHFFFAOYSA-N 0 0 284.359 3.538 50 0 CHAARN O=C(NCc1ccc(F)cc1)c1c(F)cccc1Cl ZINC000003375734 567172273 /nfs/dbraw/zinc/17/22/73/567172273.db2.gz VVUQGPJVMLAORG-UHFFFAOYSA-N 0 0 281.689 3.548 50 0 CHAARN O=C(NCc1cccc(Cl)c1)c1ccc2ccccc2n1 ZINC000003361266 567172342 /nfs/dbraw/zinc/17/23/42/567172342.db2.gz WRIXAHXNRSCTJP-UHFFFAOYSA-N 0 0 296.757 3.818 50 0 CHAARN Cc1csc(S[C@H](C)C(=O)Nc2ccc(C)cc2)n1 ZINC000003413663 567172401 /nfs/dbraw/zinc/17/24/01/567172401.db2.gz MWNVPSFWRDTFSO-LLVKDONJSA-N 0 0 292.429 3.879 50 0 CHAARN COc1ccccc1[C@H](C)NC(=O)C1(c2ccccc2)CC1 ZINC000003419942 567174017 /nfs/dbraw/zinc/17/40/17/567174017.db2.gz KZIZBBRVYFVQHF-AWEZNQCLSA-N 0 0 295.382 3.604 50 0 CHAARN CCN(Cc1cccs1)C(=O)NCc1ccc(F)cc1 ZINC000031037311 567176927 /nfs/dbraw/zinc/17/69/27/567176927.db2.gz XMZGEMVEKOZQQE-UHFFFAOYSA-N 0 0 292.379 3.619 50 0 CHAARN CCCCCOc1ccc(C(=O)Nc2nccs2)cc1 ZINC000003459668 567176956 /nfs/dbraw/zinc/17/69/56/567176956.db2.gz VGWQKNBNQFFRPI-UHFFFAOYSA-N 0 0 290.388 3.964 50 0 CHAARN Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2C)cc1C ZINC000003581427 567178560 /nfs/dbraw/zinc/17/85/60/567178560.db2.gz SOAUYRUWQOGMTJ-UHFFFAOYSA-N 0 0 293.363 3.552 50 0 CHAARN CCc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000003567283 567178996 /nfs/dbraw/zinc/17/89/96/567178996.db2.gz KPFNSGAVGQGSFP-UHFFFAOYSA-N 0 0 269.344 3.818 50 0 CHAARN CCCCn1c(-c2ccccc2F)n[nH]c1=S ZINC000003628211 567179885 /nfs/dbraw/zinc/17/98/85/567179885.db2.gz WXXOLFNWXRTTMH-UHFFFAOYSA-N 0 0 251.330 3.547 50 0 CHAARN Cc1cc2[nH]c(C(=O)N[C@@H](C)c3ccccn3)cc2c(C)c1 ZINC000031228295 567180055 /nfs/dbraw/zinc/18/00/55/567180055.db2.gz PZHHSFFISKUIET-ZDUSSCGKSA-N 0 0 293.370 3.671 50 0 CHAARN CCOc1ccc(OCc2nc3ccccc3[nH]2)cc1 ZINC000031943779 567184212 /nfs/dbraw/zinc/18/42/12/567184212.db2.gz OTNZWJQWCWSEIU-UHFFFAOYSA-N 0 0 268.316 3.541 50 0 CHAARN O=C(CCc1ccc(F)c(F)c1)Nc1ccccc1F ZINC000031873123 567185237 /nfs/dbraw/zinc/18/52/37/567185237.db2.gz RSIRMBALLVPSFK-UHFFFAOYSA-N 0 0 279.261 3.675 50 0 CHAARN Cc1nc(NC(=O)C2CCC2)sc1-c1ccccc1 ZINC000031968371 567185717 /nfs/dbraw/zinc/18/57/17/567185717.db2.gz PBKLENRCRRWSNB-UHFFFAOYSA-N 0 0 272.373 3.857 50 0 CHAARN COCCCNc1ncnc2scc(-c3ccccc3)c21 ZINC000004118034 567187110 /nfs/dbraw/zinc/18/71/10/567187110.db2.gz PGIYGOZHEUUPGG-UHFFFAOYSA-N 0 0 299.399 3.807 50 0 CHAARN CCCCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000004103987 567187827 /nfs/dbraw/zinc/18/78/27/567187827.db2.gz LFXXYUBZSQNZBL-UHFFFAOYSA-N 0 0 267.328 3.626 50 0 CHAARN CCOC(=O)C=C(C)Nc1ccc2c(c1)c(C)c(C)n2C ZINC000004187415 567190522 /nfs/dbraw/zinc/19/05/22/567190522.db2.gz HGOJRADBLLLYSN-LUAWRHEFSA-N 0 0 286.375 3.674 50 0 CHAARN Cc1nc2ccccc2n1C(=O)/C=C/c1ccccc1 ZINC000004311802 567195249 /nfs/dbraw/zinc/19/52/49/567195249.db2.gz PBZBYLDOQWXPFS-VAWYXSNFSA-N 0 0 262.312 3.698 50 0 CHAARN CO[C@H]1CCC[C@H](OC(=O)c2cnc(C(C)(C)C)s2)C1 ZINC000067475814 567197055 /nfs/dbraw/zinc/19/70/55/567197055.db2.gz JFQXJLBLTBKVIC-QWRGUYRKSA-N 0 0 297.420 3.555 50 0 CHAARN CC(=O)Nc1cccc(C(=O)Nc2c(C)cccc2C)c1 ZINC000015992695 567196958 /nfs/dbraw/zinc/19/69/58/567196958.db2.gz YIZRMBBLHTYHDA-UHFFFAOYSA-N 0 0 282.343 3.514 50 0 CHAARN CC(C)NC(=O)Nc1cccc(SC(F)F)c1 ZINC000067356036 567197472 /nfs/dbraw/zinc/19/74/72/567197472.db2.gz SNRYXEGWZQOYSW-UHFFFAOYSA-N 0 0 260.309 3.531 50 0 CHAARN c1ccc(Nc2nccc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000067320865 567197508 /nfs/dbraw/zinc/19/75/08/567197508.db2.gz DHVQYXNQJHNAJK-UHFFFAOYSA-N 0 0 291.310 3.616 50 0 CHAARN O=c1oc(-c2ccc(Cl)cc2)cc2cccc(O)c12 ZINC000039932875 567198815 /nfs/dbraw/zinc/19/88/15/567198815.db2.gz XXJJOSFPTBJGJE-UHFFFAOYSA-N 0 0 272.687 3.819 50 0 CHAARN Fc1cccc(Oc2nccc(C(F)(F)F)n2)c1F ZINC000068916920 567198963 /nfs/dbraw/zinc/19/89/63/567198963.db2.gz DHOUEKDHBWDZSO-UHFFFAOYSA-N 0 0 276.164 3.566 50 0 CHAARN C[C@@H](c1cccs1)N(C)Cc1noc(-c2ccoc2)n1 ZINC000069377034 567200227 /nfs/dbraw/zinc/20/02/27/567200227.db2.gz FWPFQPSGPDOSOW-JTQLQIEISA-N 0 0 289.360 3.584 50 0 CHAARN CC(=O)Nc1cccc(Cl)c1SC(F)F ZINC000069451894 567200967 /nfs/dbraw/zinc/20/09/67/567200967.db2.gz LTZROQSQHBCIMQ-UHFFFAOYSA-N 0 0 251.685 3.613 50 0 CHAARN C/C(=C/C(=O)N[C@@H](c1ccccc1)c1ccncc1)C1CC1 ZINC000071817269 567203975 /nfs/dbraw/zinc/20/39/75/567203975.db2.gz HUUPFXJLPCKOMJ-QQBSYFJQSA-N 0 0 292.382 3.644 50 0 CHAARN CC/C(=C/C(=O)N(C)Cc1ccccn1)c1ccccc1 ZINC000071799952 567205322 /nfs/dbraw/zinc/20/53/22/567205322.db2.gz NSDTVBABWSCGIV-SQFISAMPSA-N 0 0 280.371 3.534 50 0 CHAARN Cc1ccc(NC(=O)N2CCc3sccc3C2)cc1 ZINC000010463969 567206946 /nfs/dbraw/zinc/20/69/46/567206946.db2.gz JQYHNPJNWBLQNX-UHFFFAOYSA-N 0 0 272.373 3.647 50 0 CHAARN Cc1[nH]c2ccc(C)cc2c1CC(=O)Nc1ncccc1C ZINC000024567725 567213679 /nfs/dbraw/zinc/21/36/79/567213679.db2.gz YVDURPZCOHICBN-UHFFFAOYSA-N 0 0 293.370 3.669 50 0 CHAARN O=C([C@H]1CC=CCC1)N1CCC(c2ccccc2)CC1 ZINC000032908296 567215138 /nfs/dbraw/zinc/21/51/38/567215138.db2.gz HEMHSSZVBDDDIP-KRWDZBQOSA-N 0 0 269.388 3.749 50 0 CHAARN COc1ccc(C2=CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000040542374 567216426 /nfs/dbraw/zinc/21/64/26/567216426.db2.gz BPLHUDWLCVIDMM-UHFFFAOYSA-N 0 0 299.395 3.686 50 0 CHAARN CC(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12 ZINC000000057215 567817243 /nfs/dbraw/zinc/81/72/43/567817243.db2.gz WPWLFFMSSOAORQ-UHFFFAOYSA-N 0 0 288.528 3.509 50 0 in-vitro CHAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(N(C)C)cc1 ZINC000000030313 567816395 /nfs/dbraw/zinc/81/63/95/567816395.db2.gz QYYOZFHHMYVNBH-UHFFFAOYSA-N 0 0 288.778 3.967 50 0 CHAARN COC(=O)c1c(O)c2ccccc2c2c1C=CC(C)(C)O2 ZINC000000007267 567816508 /nfs/dbraw/zinc/81/65/08/567816508.db2.gz VLGATXOTCNBWIT-UHFFFAOYSA-N 0 0 284.311 3.516 50 0 biogenic,in-vitro CHAARN Cc1cccc(C(=O)N2CCCc3ccccc32)c1 ZINC000000029577 567816523 /nfs/dbraw/zinc/81/65/23/567816523.db2.gz PHLRPARNRZNBQR-UHFFFAOYSA-N 0 0 251.329 3.588 50 0 CHAARN CCN(C(=O)[C@@H](C)Oc1ccccc1)C1CCCCC1 ZINC000000030921 567816701 /nfs/dbraw/zinc/81/67/01/567816701.db2.gz FUXWFTSPDRKGND-CQSZACIVSA-N 0 0 275.392 3.635 50 0 CHAARN CCC[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000000030676 567816755 /nfs/dbraw/zinc/81/67/55/567816755.db2.gz GVLNBCTVDISGDG-VIFPVBQESA-N 0 0 270.170 3.824 50 0 CHAARN CCOc1cccc(=O)c2c(C)n(Cc3ccco3)c(C)c21 ZINC000000033681 567816807 /nfs/dbraw/zinc/81/68/07/567816807.db2.gz ISHXVLZPDPGYPV-UHFFFAOYSA-N 0 0 297.354 3.658 50 0 aggregator,biogenic CHAARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1F ZINC000000038877 567816900 /nfs/dbraw/zinc/81/69/00/567816900.db2.gz BBRFANCGWIATPZ-UHFFFAOYSA-N 0 0 293.725 3.805 50 0 CHAARN CSc1ccc(Cl)c(C(=O)Nc2nccs2)c1 ZINC000000040253 567816997 /nfs/dbraw/zinc/81/69/97/567816997.db2.gz IBSDYJWYXHNYHM-UHFFFAOYSA-N 0 0 284.793 3.771 50 0 CHAARN O=C(NC(c1ccccc1)c1ccccc1)c1cccnc1 ZINC000000049260 567817202 /nfs/dbraw/zinc/81/72/02/567817202.db2.gz IYJLJJIRPLWNTG-UHFFFAOYSA-N 0 0 288.350 3.601 50 0 CHAARN Cc1ccc(/C=C/C(=O)Nc2ccccc2F)cc1 ZINC000000064507 567817376 /nfs/dbraw/zinc/81/73/76/567817376.db2.gz XMXIXJQSDGMZOH-ZHACJKMWSA-N 0 0 255.292 3.786 50 0 CHAARN COc1c(Cl)cccc1-c1cn2ccccc2n1 ZINC000000073831 567817558 /nfs/dbraw/zinc/81/75/58/567817558.db2.gz BDLLDQBFNYGYTQ-UHFFFAOYSA-N 0 0 258.708 3.663 50 0 CHAARN O=C1CS[C@H](c2ccccc2F)N1Cc1ccccc1 ZINC000000072741 567817615 /nfs/dbraw/zinc/81/76/15/567817615.db2.gz GZKXNJUUFCLOMO-MRXNPFEDSA-N 0 0 287.359 3.600 50 0 CHAARN CC(C)CC(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000000074878 567817682 /nfs/dbraw/zinc/81/76/82/567817682.db2.gz TUNMQANBTIVKNB-UHFFFAOYSA-N 0 0 295.342 3.874 50 0 CHAARN Cc1ccccc1C(=O)N1CCCc2ccccc21 ZINC000000084548 567817759 /nfs/dbraw/zinc/81/77/59/567817759.db2.gz SRCUDAZOLJXOLJ-UHFFFAOYSA-N 0 0 251.329 3.588 50 0 CHAARN Cc1ccc2cc(NC(=O)c3cccs3)ccc2n1 ZINC000000084498 567817924 /nfs/dbraw/zinc/81/79/24/567817924.db2.gz FLQFQUVHUVHNEG-UHFFFAOYSA-N 0 0 268.341 3.857 50 0 CHAARN Clc1ccc(-c2nnc3cccc(Cl)n32)cc1 ZINC000000091092 567818053 /nfs/dbraw/zinc/81/80/53/567818053.db2.gz SETIHJVOUJAFPO-UHFFFAOYSA-N 0 0 264.115 3.703 50 0 CHAARN COc1ccc(Cl)cc1NC(=O)c1ccccc1C ZINC000000101431 567818224 /nfs/dbraw/zinc/81/82/24/567818224.db2.gz CQGCYHNZIMMTOE-UHFFFAOYSA-N 0 0 275.735 3.909 50 0 CHAARN CCN(C(=O)/C=C/c1ccc(C)o1)c1ccccc1 ZINC000000106483 567818443 /nfs/dbraw/zinc/81/84/43/567818443.db2.gz BWOOEXLFJAADKO-VAWYXSNFSA-N 0 0 255.317 3.654 50 0 CHAARN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 ZINC000000123549 567818989 /nfs/dbraw/zinc/81/89/89/567818989.db2.gz SPKOXUOZUKBVLV-UHFFFAOYSA-N 0 0 261.708 3.601 50 0 CHAARN Cc1cc(C)cc(OCC(=O)Nc2cccc(C)c2C)c1 ZINC000000128697 567819451 /nfs/dbraw/zinc/81/94/51/567819451.db2.gz NBNVGMKENVKYHJ-UHFFFAOYSA-N 0 0 283.371 3.938 50 0 CHAARN CCc1cccc(C)c1NC(=O)COc1ccccc1 ZINC000000128328 567819483 /nfs/dbraw/zinc/81/94/83/567819483.db2.gz GFPXVATURZTYJF-UHFFFAOYSA-N 0 0 269.344 3.575 50 0 CHAARN COc1ccccc1C1CCN(C(=O)c2ccccc2)CC1 ZINC000000135254 567819864 /nfs/dbraw/zinc/81/98/64/567819864.db2.gz SXBIOBQXDNGBPV-UHFFFAOYSA-N 0 0 295.382 3.715 50 0 CHAARN Cc1c(-c2ccccc2)nnn1-c1ccc(F)cc1F ZINC000000140371 567820010 /nfs/dbraw/zinc/82/00/10/567820010.db2.gz IETXFKYBZWQVRH-UHFFFAOYSA-N 0 0 271.270 3.521 50 0 CHAARN CCOC(=O)c1c(N)scc1-c1ccc(Cl)cc1 ZINC000000145058 567820034 /nfs/dbraw/zinc/82/00/34/567820034.db2.gz YHJWJJKFFNCDCK-UHFFFAOYSA-N 0 0 281.764 3.827 50 0 CHAARN Cc1[nH]c2ccccc2c1CCNC(=O)C1CCCCC1 ZINC000000141296 567820053 /nfs/dbraw/zinc/82/00/53/567820053.db2.gz VPASZECBZFZZAY-UHFFFAOYSA-N 0 0 284.403 3.715 50 0 CHAARN Cc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1 ZINC000000152097 567820321 /nfs/dbraw/zinc/82/03/21/567820321.db2.gz VYNYSOAMIBPMDG-UHFFFAOYSA-N 0 0 262.312 3.796 50 0 CHAARN Cc1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1 ZINC000000156110 567820637 /nfs/dbraw/zinc/82/06/37/567820637.db2.gz KJTYQAYFNWYLFE-UHFFFAOYSA-N 0 0 292.342 3.825 50 0 CHAARN O=C(c1ccc(Cl)cc1)[C@@H]1O[C@H]1c1ccccc1 ZINC000000157982 567820708 /nfs/dbraw/zinc/82/07/08/567820708.db2.gz WDBQFPCVLLFPRH-GJZGRUSLSA-N 0 0 258.704 3.663 50 0 CHAARN Cc1oc(-c2ccccc2)cc1C(=O)NCc1ccncc1 ZINC000000156561 567820848 /nfs/dbraw/zinc/82/08/48/567820848.db2.gz ADNSKXGEVDLGKY-UHFFFAOYSA-N 0 0 292.338 3.580 50 0 CHAARN Cn1c2ccccc2c(C=O)c1Oc1ccc(F)cc1 ZINC000000168719 567821136 /nfs/dbraw/zinc/82/11/36/567821136.db2.gz JJGZWWUCCMVYAL-UHFFFAOYSA-N 0 0 269.275 3.922 50 0 CHAARN CCOc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1 ZINC000000177509 567821877 /nfs/dbraw/zinc/82/18/77/567821877.db2.gz IHRSQNKXVPNGOQ-UHFFFAOYSA-N 0 0 299.370 3.898 50 0 CHAARN Cc1ccc2c(c1)C(=O)N(c1ccc(C)cc1Cl)C2=O ZINC000000194832 567822151 /nfs/dbraw/zinc/82/21/51/567822151.db2.gz HEIQKAMYXBRIGB-UHFFFAOYSA-N 0 0 285.730 3.757 50 0 CHAARN CCCc1ncc([C@@H](O)c2cccc3ccccc32)n1C ZINC000000237866 567822751 /nfs/dbraw/zinc/82/27/51/567822751.db2.gz RMDUQNUQMHVRKQ-SFHVURJKSA-N 0 0 280.371 3.608 50 0 CHAARN O=C1C[C@H](c2ccccc2)Sc2nc3ccccc3n21 ZINC000000240038 567822794 /nfs/dbraw/zinc/82/27/94/567822794.db2.gz GXFUOCQAEIOYDU-CQSZACIVSA-N 0 0 280.352 3.914 50 0 CHAARN CCNc1cc2oc(=O)cc(C(F)(F)F)c2cc1C ZINC000000266374 567823329 /nfs/dbraw/zinc/82/33/29/567823329.db2.gz NRZJOTSUPLCYDJ-UHFFFAOYSA-N 0 0 271.238 3.552 50 0 CHAARN CC(C)Oc1ccc(OCCn2cnc3ccccc32)cc1 ZINC000000250133 567823419 /nfs/dbraw/zinc/82/34/19/567823419.db2.gz UOCQSICZBYPFEX-UHFFFAOYSA-N 0 0 296.370 3.903 50 0 CHAARN CC1(C)C(c2ccccc2)=N[C@@H](c2ccccc2)N1O ZINC000000275535 567823471 /nfs/dbraw/zinc/82/34/71/567823471.db2.gz KQBLVKCISLSHRC-MRXNPFEDSA-N 0 0 266.344 3.658 50 0 CHAARN CSc1sc(SC)c(C=O)c1Br ZINC000000270954 567823472 /nfs/dbraw/zinc/82/34/72/567823472.db2.gz XVNNGMKXBOUJJU-UHFFFAOYSA-N 0 0 283.237 3.767 50 0 CHAARN CC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)cc21 ZINC000000275502 567823662 /nfs/dbraw/zinc/82/36/62/567823662.db2.gz IXJWGFZUYLKRRY-UHFFFAOYSA-N 0 0 265.312 3.847 50 0 CHAARN Cc1occc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000000269633 567823759 /nfs/dbraw/zinc/82/37/59/567823759.db2.gz WLHDWOXTCBPMMJ-UHFFFAOYSA-N 0 0 292.338 3.826 50 0 CHAARN COC(=O)[C@@]1(C)CC1(c1ccccc1)c1ccccc1 ZINC000000289132 567823908 /nfs/dbraw/zinc/82/39/08/567823908.db2.gz MUAUTHXBCNRXBU-QGZVFWFLSA-N 0 0 266.340 3.556 50 0 CHAARN O=C(Nc1cccc2ccccc21)[C@@H]1CC12CCC2 ZINC000000284580 567824067 /nfs/dbraw/zinc/82/40/67/567824067.db2.gz YGLOSFUWWAXVNT-AWEZNQCLSA-N 0 0 251.329 3.969 50 0 CHAARN CCOc1ccc(/C=C/C(=O)Nc2ccccc2OC)cc1 ZINC000000302345 567824470 /nfs/dbraw/zinc/82/44/70/567824470.db2.gz IJHAZTDPVQBHII-JLHYYAGUSA-N 0 0 297.354 3.746 50 0 CHAARN O=C(CCCc1ccccc1)Nc1ccc(F)c(F)c1 ZINC000000303145 567824484 /nfs/dbraw/zinc/82/44/84/567824484.db2.gz SBYPEIGHEPWVHT-UHFFFAOYSA-N 0 0 275.298 3.926 50 0 CHAARN Fc1ccc(NC(=S)NC2CCCCCC2)cc1 ZINC000000307086 567824531 /nfs/dbraw/zinc/82/45/31/567824531.db2.gz AYIFJQRLXUIPRI-UHFFFAOYSA-N 0 0 266.385 3.835 50 0 CHAARN Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000000306649 567824747 /nfs/dbraw/zinc/82/47/47/567824747.db2.gz AKKYTLCZDDZBHD-UHFFFAOYSA-N 0 0 295.367 3.766 50 0 CHAARN Cc1ccc(F)cc1NC(=O)COc1ccc(Cl)cc1 ZINC000000313367 567824909 /nfs/dbraw/zinc/82/49/09/567824909.db2.gz DJSZETQJAQSXQH-UHFFFAOYSA-N 0 0 293.725 3.805 50 0 CHAARN O=Cc1ccc(OC(=O)c2ccc(F)cc2)c(Cl)c1 ZINC000000309953 567825007 /nfs/dbraw/zinc/82/50/07/567825007.db2.gz NKSODGODSGTENM-UHFFFAOYSA-N 0 0 278.666 3.511 50 0 CHAARN CC(=O)Nc1cccc(NC(=O)C[C@@H](C)c2ccccc2)c1 ZINC000000318669 567825258 /nfs/dbraw/zinc/82/52/58/567825258.db2.gz JHESQUATFRSZSL-CYBMUJFWSA-N 0 0 296.370 3.777 50 0 CHAARN S=C(Nc1ccc(Br)cc1)NC1CCCC1 ZINC000000315411 567825280 /nfs/dbraw/zinc/82/52/80/567825280.db2.gz OUEZZHFIOXCVDF-UHFFFAOYSA-N 0 0 299.237 3.678 50 0 CHAARN CC(=O)Nc1cccc(NC(=O)C[C@H](C)c2ccccc2)c1 ZINC000000318667 567825293 /nfs/dbraw/zinc/82/52/93/567825293.db2.gz JHESQUATFRSZSL-ZDUSSCGKSA-N 0 0 296.370 3.777 50 0 CHAARN Cc1ccccc1C(=O)Nc1nc2ccccc2s1 ZINC000000338608 567825561 /nfs/dbraw/zinc/82/55/61/567825561.db2.gz ZJOUEENMQIYEQD-UHFFFAOYSA-N 0 0 268.341 3.857 50 0 CHAARN COC(=O)c1c(C)c(-c2ccccc2)nn1-c1ccccc1 ZINC000000347304 567825819 /nfs/dbraw/zinc/82/58/19/567825819.db2.gz BSNYGFMJLDZIRY-UHFFFAOYSA-N 0 0 292.338 3.634 50 0 CHAARN Cc1nc2ccccc2c(OCc2ccccc2)n1 ZINC000000346116 567826096 /nfs/dbraw/zinc/82/60/96/567826096.db2.gz MOOFDTSQAZINTG-UHFFFAOYSA-N 0 0 250.301 3.517 50 0 CHAARN CCc1ccccc1NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C ZINC000000352731 567826435 /nfs/dbraw/zinc/82/64/35/567826435.db2.gz UOAQTVXDFNJWIG-MOPGFXCFSA-N 0 0 299.414 3.973 50 0 CHAARN COc1ccc2nc(-c3ccccc3)c(C=O)cc2c1 ZINC000000359235 567826733 /nfs/dbraw/zinc/82/67/33/567826733.db2.gz RKXZPRNPGOVEGM-UHFFFAOYSA-N 0 0 263.296 3.723 50 0 CHAARN CC(C)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000000364431 567826915 /nfs/dbraw/zinc/82/69/15/567826915.db2.gz KVMHOJRLZIKMBZ-UHFFFAOYSA-N 0 0 267.328 3.512 50 0 CHAARN CSc1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000000363342 567826940 /nfs/dbraw/zinc/82/69/40/567826940.db2.gz XLAIMMCWPWOXOL-UHFFFAOYSA-N 0 0 257.358 3.969 50 0 CHAARN CCc1ccc(C)c(OC(=O)c2ccccc2F)c1 ZINC000000363993 567826951 /nfs/dbraw/zinc/82/69/51/567826951.db2.gz LCGXHZNQVAGTQI-UHFFFAOYSA-N 0 0 258.292 3.916 50 0 CHAARN CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000000362924 567826962 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567900214 /nfs/dbraw/zinc/90/02/14/567900214.db2.gz UJKJRWWKTFGGBP-UHFFFAOYSA-N 0 0 267.353 3.969 50 0 CHAARN Clc1ccccc1-c1ccnc2nc(-c3ccco3)nn21 ZINC000067640860 567900371 /nfs/dbraw/zinc/90/03/71/567900371.db2.gz MWHVKSUYPBATHK-UHFFFAOYSA-N 0 0 296.717 3.705 50 0 CHAARN CSc1ccc(-c2nc(Cn3ccnc3C)c(C)o2)cc1 ZINC000067834086 567900618 /nfs/dbraw/zinc/90/06/18/567900618.db2.gz LWDDWFRNJWQXEF-UHFFFAOYSA-N 0 0 299.399 3.925 50 0 CHAARN O=C(c1cc2sccc2[nH]1)N1CCC[C@H]1c1ccccn1 ZINC000067790343 567900698 /nfs/dbraw/zinc/90/06/98/567900698.db2.gz WVYLKJSODQMJBC-AWEZNQCLSA-N 0 0 297.383 3.602 50 0 CHAARN COc1ccc(OC)c(-c2ncc(C)cc2Cl)c1 ZINC000067847482 567900784 /nfs/dbraw/zinc/90/07/84/567900784.db2.gz MJPWMYYGMGBNRA-UHFFFAOYSA-N 0 0 263.724 3.728 50 0 CHAARN CCCC[C@H]1CCC[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC000067920330 567900926 /nfs/dbraw/zinc/90/09/26/567900926.db2.gz IHZZRISGPWRSPO-AWEZNQCLSA-N 0 0 261.365 3.539 50 0 CHAARN Cc1ccsc1-c1cn([C@@H](C)c2csc(C)n2)nn1 ZINC000067964979 567901094 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/nfs/dbraw/zinc/92/51/38/567925138.db2.gz NWGPMEDSDOODQL-OAHLLOKOSA-N 0 0 253.301 3.585 50 0 CHAARN CC(=O)N1N=C(c2ccc(C)cc2)OC12CCCCCC2 ZINC000000209005 567925205 /nfs/dbraw/zinc/92/52/05/567925205.db2.gz HNSBDGPZEXWEIJ-UHFFFAOYSA-N 0 0 286.375 3.586 50 0 biogenic CHAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccco1 ZINC000000192368 567925207 /nfs/dbraw/zinc/92/52/07/567925207.db2.gz IHGVDIPDZJMQJZ-DYEKYZERSA-N 0 0 250.338 3.897 50 0 CHAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(F)cc1 ZINC000000250130 567925767 /nfs/dbraw/zinc/92/57/67/567925767.db2.gz JFRGJRZHPPRCGP-LLVKDONJSA-N 0 0 287.309 3.946 50 0 CHAARN O=C(CSCc1ccc(F)cc1)NC1CCCCCC1 ZINC000000262631 567925807 /nfs/dbraw/zinc/92/58/07/567925807.db2.gz HEUKMYRMDUIRBH-UHFFFAOYSA-N 0 0 295.423 3.898 50 0 CHAARN C[C@]12CCO[C@@H]1N(c1ccccc1)c1ccccc12 ZINC000000264437 567925826 /nfs/dbraw/zinc/92/58/26/567925826.db2.gz LYEMDWOVMXRHTL-DLBZAZTESA-N 0 0 251.329 3.842 50 0 CHAARN O=C(Nc1ccccc1OC(F)(F)F)c1cccc(F)c1 ZINC000000287161 567926051 /nfs/dbraw/zinc/92/60/51/567926051.db2.gz HQMSPKKMRQZLNJ-UHFFFAOYSA-N 0 0 299.223 3.977 50 0 CHAARN CC1=NN(C(=O)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000000312618 567926710 /nfs/dbraw/zinc/92/67/10/567926710.db2.gz OPNAUUUJLJIQOT-MRXNPFEDSA-N 0 0 264.328 3.650 50 0 CHAARN CC[C@H](c1nc(-c2ccccn2)no1)c1ccccc1 ZINC000000312313 567926892 /nfs/dbraw/zinc/92/68/92/567926892.db2.gz UWJDXBMJSWLFMS-ZDUSSCGKSA-N 0 0 265.316 3.674 50 0 CHAARN C[C@@H]1CC[C@H](Nc2ccccc2C[S@](C)=O)C[C@@H]1C ZINC000230466263 567927156 /nfs/dbraw/zinc/92/71/56/567927156.db2.gz XWSFVTKYFIVRCA-CFLYGVGMSA-N 0 0 279.449 3.802 50 0 CHAARN COc1cc(SC)ccc1NCc1cc(F)ncc1F ZINC000408516887 567927718 /nfs/dbraw/zinc/92/77/18/567927718.db2.gz QUENGOIPZDJTNQ-UHFFFAOYSA-N 0 0 296.342 3.702 50 0 CHAARN CCc1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000011758856 567928347 /nfs/dbraw/zinc/92/83/47/567928347.db2.gz CYOSNCUDHODFOQ-UHFFFAOYSA-N 0 0 297.354 3.663 50 0 CHAARN CCSc1nc(Cl)cc(-c2ccccc2)n1 ZINC000011770197 567928408 /nfs/dbraw/zinc/92/84/08/567928408.db2.gz LBTUOHROLYROIM-UHFFFAOYSA-N 0 0 250.754 3.909 50 0 CHAARN CC(=O)Nc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1 ZINC000011865369 567928577 /nfs/dbraw/zinc/92/85/77/567928577.db2.gz JRCFVLZISBNAAC-UHFFFAOYSA-N 0 0 293.322 3.727 50 0 CHAARN Cc1cc(NC(=O)N(C)[C@H]2CCCc3ccccc32)no1 ZINC000010216269 567928621 /nfs/dbraw/zinc/92/86/21/567928621.db2.gz YSGIRGKNISOEQD-AWEZNQCLSA-N 0 0 285.347 3.524 50 0 CHAARN Cc1ccc(N[C@@H]2CCCN(C(=O)C3CCC3)C2)cc1C ZINC000011938278 567928948 /nfs/dbraw/zinc/92/89/48/567928948.db2.gz TVWJTAQQHRBMAZ-QGZVFWFLSA-N 0 0 286.419 3.506 50 0 CHAARN Cc1ccc(NC(=O)C(Cl)(Cl)Cl)c(C)c1 ZINC000002143223 567929524 /nfs/dbraw/zinc/92/95/24/567929524.db2.gz DHCNAAQPPJXWOZ-UHFFFAOYSA-N 0 0 266.555 3.612 50 0 CHAARN CCC(=O)N=c1sc2ccccc2n1-c1ccccc1 ZINC000252675821 567930171 /nfs/dbraw/zinc/93/01/71/567930171.db2.gz VETPWFDZLFWNHI-UHFFFAOYSA-N 0 0 282.368 3.529 50 0 CHAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccc(F)c2)cc1 ZINC000000423846 567930420 /nfs/dbraw/zinc/93/04/20/567930420.db2.gz MHEFRVMJCLESNK-MRXNPFEDSA-N 0 0 287.359 3.913 50 0 CHAARN CCc1ccccc1NC(=O)Cc1cn(C)c2ccccc12 ZINC000000428572 567930561 /nfs/dbraw/zinc/93/05/61/567930561.db2.gz LQOKYYVAJABDKY-UHFFFAOYSA-N 0 0 292.382 3.922 50 0 CHAARN Cc1ccsc1/C=C1\N=C(c2ccc(F)cc2)OC1=O ZINC000000430180 567930811 /nfs/dbraw/zinc/93/08/11/567930811.db2.gz OFCGQGFJVLUQLD-WQLSENKSSA-N 0 0 287.315 3.540 50 0 CHAARN CCCn1cnc2cc(NC(=O)c3cccs3)ccc21 ZINC000000350245 567931306 /nfs/dbraw/zinc/93/13/06/567931306.db2.gz MCSFXOOAQRIUGA-UHFFFAOYSA-N 0 0 285.372 3.760 50 0 CHAARN CCCC(=O)Nc1ccc2c3c(cccc31)C(=O)N2CC ZINC000001518642 567932212 /nfs/dbraw/zinc/93/22/12/567932212.db2.gz BOJHQCZYDIMCAD-UHFFFAOYSA-N 0 0 282.343 3.559 50 0 CHAARN CCCOc1nc(-c2ccccc2)nnc1-c1ccccc1 ZINC000003767080 567932274 /nfs/dbraw/zinc/93/22/74/567932274.db2.gz VGIMXUWUDNVJSM-UHFFFAOYSA-N 0 0 291.354 3.994 50 0 CHAARN Cc1ccc(N)c(-c2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000016527293 567933156 /nfs/dbraw/zinc/93/31/56/567933156.db2.gz CSMLPEOUWQVUHP-UHFFFAOYSA-N 0 0 285.734 3.948 50 0 CHAARN O=C(NCc1ccco1)c1ccccc1Nc1ccccc1 ZINC000017304920 567935054 /nfs/dbraw/zinc/93/50/54/567935054.db2.gz XJQQPNWHQBPOMV-UHFFFAOYSA-N 0 0 292.338 3.953 50 0 CHAARN COC(=O)Cc1sc2ccc(Cl)cc2c1C ZINC000000172286 567935495 /nfs/dbraw/zinc/93/54/95/567935495.db2.gz MHTVWKZENPZIOO-UHFFFAOYSA-N 0 0 254.738 3.579 50 0 CHAARN Cc1ccccc1NC(=O)COc1c(C)cccc1C ZINC000000361905 567935873 /nfs/dbraw/zinc/93/58/73/567935873.db2.gz UJOUJHUODDGHSL-UHFFFAOYSA-N 0 0 269.344 3.629 50 0 CHAARN O=C(Nc1cccc(N2CCCC2)c1)c1cccs1 ZINC000000381935 567935959 /nfs/dbraw/zinc/93/59/59/567935959.db2.gz MXJSSBWIVHLFQW-UHFFFAOYSA-N 0 0 272.373 3.601 50 0 aggregator CHAARN CCc1nc2ccccc2n1CCc1ccccc1 ZINC000000452354 567936318 /nfs/dbraw/zinc/93/63/18/567936318.db2.gz OXROMPOQODQDGU-UHFFFAOYSA-N 0 0 250.345 3.841 50 0 CHAARN Fc1ccc(CSc2ncccn2)c(Cl)c1 ZINC000000458639 567936480 /nfs/dbraw/zinc/93/64/80/567936480.db2.gz VHYHMZJRCFXCHF-UHFFFAOYSA-N 0 0 254.717 3.561 50 0 CHAARN Cc1sc2ncnc(NCc3ccco3)c2c1C ZINC000002615758 567937591 /nfs/dbraw/zinc/93/75/91/567937591.db2.gz WDUFZXPIPXTHOB-UHFFFAOYSA-N 0 0 259.334 3.513 50 0 CHAARN CCC[C@@H](C)NC(=O)COc1cccc2ccccc21 ZINC000004666494 567938272 /nfs/dbraw/zinc/93/82/72/567938272.db2.gz DSHNCMPKJSYQON-CYBMUJFWSA-N 0 0 271.360 3.523 50 0 CHAARN Cc1cc(N[C@@H](c2ccccc2)c2cccnc2)nc(C)n1 ZINC000189343392 567939001 /nfs/dbraw/zinc/93/90/01/567939001.db2.gz LNKBNLZNLIIQIC-SFHVURJKSA-N 0 0 290.370 3.690 50 0 CHAARN Fc1ccc(C2=Nc3ncnn3[C@H](c3cccs3)C2)cc1 ZINC000100892706 567939357 /nfs/dbraw/zinc/93/93/57/567939357.db2.gz KPFWPBKMFBLXBB-ZDUSSCGKSA-N 0 0 298.346 3.535 50 0 CHAARN Cc1nc(C(F)(F)F)ccc1C(=O)N(C(C)C)C(C)C ZINC000171635420 567939656 /nfs/dbraw/zinc/93/96/56/567939656.db2.gz XKPPRMVPGCZKKM-UHFFFAOYSA-N 0 0 288.313 3.668 50 0 CHAARN O=C(Nc1cnc2ccccc2c1)Oc1ccccc1 ZINC000070274950 567939870 /nfs/dbraw/zinc/93/98/70/567939870.db2.gz JQFIWELAGHWNIN-UHFFFAOYSA-N 0 0 264.284 3.846 50 0 CHAARN Cc1ccc([C@@H](O)c2coc3ccc(O)cc32)cc1 ZINC000000491339 567939912 /nfs/dbraw/zinc/93/99/12/567939912.db2.gz KWSRPOMWDPYWQN-MRXNPFEDSA-N 0 0 254.285 3.529 50 0 biogenic CHAARN CCc1ccc2c(c1)Cc1cc(C)cc(C)c1S2(=O)=O ZINC000018194201 567940355 /nfs/dbraw/zinc/94/03/55/567940355.db2.gz VJWNYHZFOFNVLD-UHFFFAOYSA-N 0 0 286.396 3.603 50 0 CHAARN CC(C)CCN1CCCO[P@@]1(=O)Nc1ccccc1 ZINC000102056339 567941435 /nfs/dbraw/zinc/94/14/35/567941435.db2.gz QMWNLOUBANOESX-IBGZPJMESA-N 0 0 282.324 3.975 50 0 CHAARN O=Cc1cc(C=O)c(Sc2ccsc2)s1 ZINC000000517434 567941966 /nfs/dbraw/zinc/94/19/66/567941966.db2.gz CMCSYOYIGRWXDE-UHFFFAOYSA-N 0 0 254.357 3.586 50 0 biogenic CHAARN COc1cc([C@@H]2OC[C@H]3[C@@H](C)[C@@H]2C(C)=C[C@@H]3C)ccc1O ZINC000000519425 567942102 /nfs/dbraw/zinc/94/21/02/567942102.db2.gz SOHWVJPJRLXISV-CGAYHFDWSA-N 0 0 288.387 3.937 50 0 biogenic CHAARN CC(C)[C@H](N)c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000000527039 567942454 /nfs/dbraw/zinc/94/24/54/567942454.db2.gz GKMBUXNEQJIGBH-NSHDSACASA-N 0 0 297.811 3.671 50 0 CHAARN CC1=CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N1 ZINC000000532747 567942576 /nfs/dbraw/zinc/94/25/76/567942576.db2.gz YDRQRTVHRPLNHT-UHFFFAOYSA-N 0 0 286.404 3.572 50 0 CHAARN Cc1ccc(C)c(CSc2nnc([C@@H](N)C(C)C)o2)c1 ZINC000000532701 567942583 /nfs/dbraw/zinc/94/25/83/567942583.db2.gz FPWNUFIDNOTHAK-ZDUSSCGKSA-N 0 0 291.420 3.635 50 0 CHAARN CCCc1cc(=O)n2nc(-c3ccc(C)cc3)c(C)c2[nH]1 ZINC000103330634 567942679 /nfs/dbraw/zinc/94/26/79/567942679.db2.gz HUKDLMDLXUWOJA-UHFFFAOYSA-N 0 0 281.359 3.671 50 0 CHAARN Cc1cnccc1NC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000120508203 567942785 /nfs/dbraw/zinc/94/27/85/567942785.db2.gz QTGRWTKZRXHEST-SWLSCSKDSA-N 0 0 299.374 3.988 50 0 CHAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc(C)cs2)C1(C)C ZINC000024541909 567943358 /nfs/dbraw/zinc/94/33/58/567943358.db2.gz BAIAYWRTTDLPLP-GHMZBOCLSA-N 0 0 264.394 3.628 50 0 CHAARN Cc1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000014790095 567943619 /nfs/dbraw/zinc/94/36/19/567943619.db2.gz MDNHHWZCCXMURY-UHFFFAOYSA-N 0 0 293.288 3.944 50 0 CHAARN Cc1ccc(NC(=O)COc2cccc(C)c2C)cc1 ZINC000000577675 567943767 /nfs/dbraw/zinc/94/37/67/567943767.db2.gz DSSUFLHIMOCNHM-UHFFFAOYSA-N 0 0 269.344 3.629 50 0 CHAARN C[C@H](Oc1cccc(Cl)c1)C(=O)NC1CCCCCC1 ZINC000000579736 567943900 /nfs/dbraw/zinc/94/39/00/567943900.db2.gz GFWUGTLTVKTZJA-LBPRGKRZSA-N 0 0 295.810 3.946 50 0 CHAARN O=C(Nc1ccc(F)cc1)c1cc(-c2cccs2)[nH]n1 ZINC000051315677 567944049 /nfs/dbraw/zinc/94/40/49/567944049.db2.gz HFUJRLBCNJBOLQ-UHFFFAOYSA-N 0 0 287.319 3.530 50 0 CHAARN C[C@H](NCc1ccc(F)cc1)c1nc2ccccc2n1C ZINC000019943948 567945042 /nfs/dbraw/zinc/94/50/42/567945042.db2.gz YKMHIZYYUQRAAT-LBPRGKRZSA-N 0 0 283.350 3.563 50 0 CHAARN c1ccc(C(NCc2ccccn2)c2ccccc2)cc1 ZINC000019957954 567945074 /nfs/dbraw/zinc/94/50/74/567945074.db2.gz IPXODEBOYNZWTB-UHFFFAOYSA-N 0 0 274.367 3.961 50 0 CHAARN O=C(NCCc1ccccc1)C1(c2cccs2)CCCC1 ZINC000012157775 567945636 /nfs/dbraw/zinc/94/56/36/567945636.db2.gz ROIJGAUINJHDTH-UHFFFAOYSA-N 0 0 299.439 3.919 50 0 CHAARN COc1cccc(C(=O)Nc2cccc(Cl)c2)c1 ZINC000000311866 567945642 /nfs/dbraw/zinc/94/56/42/567945642.db2.gz ZJTFEWWZCZJCIL-UHFFFAOYSA-N 0 0 261.708 3.601 50 0 CHAARN CSc1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1 ZINC000012039806 567945647 /nfs/dbraw/zinc/94/56/47/567945647.db2.gz IFVCYDBHZVBEGL-CYBMUJFWSA-N 0 0 299.395 3.598 50 0 CHAARN C(=C/c1nc2n(n1)C=COc1ccccc1-2)\c1cccs1 ZINC000025185583 567945701 /nfs/dbraw/zinc/94/57/01/567945701.db2.gz QTDPREGPTFNGJK-BQYQJAHWSA-N 0 0 293.351 3.998 50 0 CHAARN CCc1cccc(C)c1NC(=O)N(C)Cc1ccc(O)cc1 ZINC000048308977 567946413 /nfs/dbraw/zinc/94/64/13/567946413.db2.gz ACYBBPSFJGNXAX-UHFFFAOYSA-N 0 0 298.386 3.927 50 0 CHAARN C[C@@]1(c2ccccc2)C=C(c2ccccc2)n2ncnc2N1 ZINC000034624307 567946516 /nfs/dbraw/zinc/94/65/16/567946516.db2.gz GSBDOZQMZAZDOA-SFHVURJKSA-N 0 0 288.354 3.508 50 0 CHAARN Cn1ncc2c1NC(=O)C[C@@H]2c1ccc(Cl)cc1Cl ZINC000049543953 567946883 /nfs/dbraw/zinc/94/68/83/567946883.db2.gz MSHJHMHXFLAGCL-SECBINFHSA-N 0 0 296.157 3.851 50 0 CHAARN C[C@@H](c1ccon1)N(C)C(=O)c1cccc(-c2ccco2)c1 ZINC000214977415 567947142 /nfs/dbraw/zinc/94/71/42/567947142.db2.gz GJMQQQCCQWRMFK-LBPRGKRZSA-N 0 0 296.326 3.768 50 0 CHAARN CSc1cccc(CN(C)Cc2nccn2C(C)C)c1 ZINC000215565359 567947203 /nfs/dbraw/zinc/94/72/03/567947203.db2.gz WKOVBOGWKKDPPP-UHFFFAOYSA-N 0 0 289.448 3.818 50 0 CHAARN C[C@H](c1ccon1)N(C)Cc1cc(-c2ccccc2)no1 ZINC000216172673 567947467 /nfs/dbraw/zinc/94/74/67/567947467.db2.gz NXKWYOHCOSJUER-GFCCVEGCSA-N 0 0 283.331 3.523 50 0 CHAARN Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1cc2ccccc2o1 ZINC000216407154 567947579 /nfs/dbraw/zinc/94/75/79/567947579.db2.gz MRSDBTYKVSHTGS-GFCCVEGCSA-N 0 0 297.358 3.606 50 0 CHAARN CC(C)(C)SC[C@@H]1CCCCN1C(=O)C1CCC1 ZINC000390830706 567948326 /nfs/dbraw/zinc/94/83/26/567948326.db2.gz MSVRYPIBKYPEQP-ZDUSSCGKSA-N 0 0 269.454 3.699 50 0 CHAARN CCCN(Cc1c(C)nn(C)c1Cl)Cc1ccccc1 ZINC000058161619 567948467 /nfs/dbraw/zinc/94/84/67/567948467.db2.gz LUHPOLMNBTZYFT-UHFFFAOYSA-N 0 0 291.826 3.794 50 0 CHAARN O=C(Nc1ccccc1)N(Cc1ccccc1)C1CC1 ZINC000025234943 567948955 /nfs/dbraw/zinc/94/89/55/567948955.db2.gz XZDDRQODOBUZIP-UHFFFAOYSA-N 0 0 266.344 3.883 50 0 CHAARN O=C(/C=C/c1ccc(Cl)cc1Cl)NCC1CC1 ZINC000027458924 567951198 /nfs/dbraw/zinc/95/11/98/567951198.db2.gz IYMBYZBPLNVOTN-GQCTYLIASA-N 0 0 270.159 3.533 50 0 CHAARN Brc1ccc(-c2csc3nccn23)cc1 ZINC000000192232 567951551 /nfs/dbraw/zinc/95/15/51/567951551.db2.gz LVDOGHLCDFUJNK-UHFFFAOYSA-N 0 0 279.162 3.825 50 0 CHAARN O=C1CCc2c1cc(Br)cc2C(F)(F)F ZINC000225065655 567952328 /nfs/dbraw/zinc/95/23/28/567952328.db2.gz OBGVLJCUBVFJHZ-UHFFFAOYSA-N 0 0 279.055 3.597 50 0 CHAARN O=C(Nc1cccc2cccnc21)N1CCCCCC1 ZINC000028295915 567952580 /nfs/dbraw/zinc/95/25/80/567952580.db2.gz NLLPYJDIZKWCDH-UHFFFAOYSA-N 0 0 269.348 3.643 50 0 CHAARN Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)o1 ZINC000016990632 570225934 /nfs/dbraw/zinc/22/59/34/570225934.db2.gz 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CCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1 ZINC000001977923 570326690 /nfs/dbraw/zinc/32/66/90/570326690.db2.gz QQGJRICNISWCNT-UHFFFAOYSA-N 0 0 266.296 3.859 50 0 CHAARN c1ccc2nc(N[C@@H]3CCOc4ccccc43)cnc2c1 ZINC000041872938 570326756 /nfs/dbraw/zinc/32/67/56/570326756.db2.gz WSKKXANOVDCZCR-CYBMUJFWSA-N 0 0 277.327 3.566 50 0 CHAARN O=C(Nc1ccc2c(c1)CCC2)c1cccc2ncccc21 ZINC000012528088 570327101 /nfs/dbraw/zinc/32/71/01/570327101.db2.gz TWAKTKCJRUKXKH-UHFFFAOYSA-N 0 0 288.350 3.976 50 0 CHAARN Cc1cc(C(=O)N2CCC[C@@H]2c2ccncc2)sc1C ZINC000012546123 570327756 /nfs/dbraw/zinc/32/77/56/570327756.db2.gz KJOSARIKMKVKEL-CQSZACIVSA-N 0 0 286.400 3.737 50 0 CHAARN O=C(Nc1cc(F)ccc1F)c1ccc2ncsc2c1 ZINC000012598710 570328684 /nfs/dbraw/zinc/32/86/84/570328684.db2.gz YGUQTSVCVVSSTE-UHFFFAOYSA-N 0 0 290.294 3.827 50 0 CHAARN Cc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000003897155 570328714 /nfs/dbraw/zinc/32/87/14/570328714.db2.gz MXGUJQFXEFJKLU-UHFFFAOYSA-N 0 0 270.376 3.545 50 0 CHAARN 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3.621 50 0 biogenic CHAARN O=C(c1ccccc1)N1CCc2cc(-c3ccno3)ccc21 ZINC000064543165 570358619 /nfs/dbraw/zinc/35/86/19/570358619.db2.gz MREIYPLLZZNMOC-UHFFFAOYSA-N 0 0 290.322 3.545 50 0 CHAARN CCc1nc2cc(-c3noc(-c4ccncc4)n3)ccc2o1 ZINC000065149783 570360011 /nfs/dbraw/zinc/36/00/11/570360011.db2.gz ONIHXYYTVIUZOV-UHFFFAOYSA-N 0 0 292.298 3.502 50 0 CHAARN Cc1cccnc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000013208112 570360546 /nfs/dbraw/zinc/36/05/46/570360546.db2.gz AZBWWYMXUOZAJJ-UHFFFAOYSA-N 0 0 268.360 3.940 50 0 CHAARN Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2C)cc1 ZINC000065293092 570361847 /nfs/dbraw/zinc/36/18/47/570361847.db2.gz CZUXEZGZGRFJCZ-CQSZACIVSA-N 0 0 265.356 3.755 50 0 CHAARN Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2C)cc1F ZINC000065293099 570361863 /nfs/dbraw/zinc/36/18/63/570361863.db2.gz XFSHCCBSSBEILP-CYBMUJFWSA-N 0 0 283.346 3.894 50 0 CHAARN Cc1cc(CSCC(=O)Nc2cccc(Cl)c2)no1 ZINC000065607918 570362552 /nfs/dbraw/zinc/36/25/52/570362552.db2.gz IAMNEZARYKTHIG-UHFFFAOYSA-N 0 0 296.779 3.508 50 0 CHAARN O=C1c2ccccc2N=C1c1ccccc1Br ZINC000003169253 570362591 /nfs/dbraw/zinc/36/25/91/570362591.db2.gz SIBAPNIUSJXXOP-UHFFFAOYSA-N 0 0 286.128 3.766 50 0 CHAARN Cc1cc(C)c(S(=O)(=O)NC2CCCCCC2)cc1C ZINC000170615072 570363062 /nfs/dbraw/zinc/36/30/62/570363062.db2.gz IBHNEYYNVRZZLJ-UHFFFAOYSA-N 0 0 295.448 3.613 50 0 CHAARN COC(=O)c1ccc(NCc2ccsc2)cc1Cl ZINC000170616108 570363102 /nfs/dbraw/zinc/36/31/02/570363102.db2.gz ZPULPNWEQKFGSQ-UHFFFAOYSA-N 0 0 281.764 3.800 50 0 CHAARN CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(C)s1 ZINC000170619007 570363178 /nfs/dbraw/zinc/36/31/78/570363178.db2.gz CGFJANWNDOMGRY-LBPRGKRZSA-N 0 0 290.413 3.816 50 0 CHAARN COc1ccccc1[C@H]1C[C@H]1C(=O)N1CCCCCCC1 ZINC000089473563 570370667 /nfs/dbraw/zinc/37/06/67/570370667.db2.gz NXVTVCNJNZLOSF-HZPDHXFCSA-N 0 0 287.403 3.591 50 0 CHAARN Cc1noc(C)c1CCC(=O)N1CCCc2cc(C)ccc21 ZINC000009459846 570374301 /nfs/dbraw/zinc/37/43/01/570374301.db2.gz OCNIJONLNDDBNO-UHFFFAOYSA-N 0 0 298.386 3.512 50 0 CHAARN Fc1ccc(CSc2ncn(-c3ccccc3)n2)cc1 ZINC000002124128 570374411 /nfs/dbraw/zinc/37/44/11/570374411.db2.gz ZISWUDCZAFNQOX-UHFFFAOYSA-N 0 0 285.347 3.699 50 0 CHAARN CC(=O)c1cc(Cl)c(Cl)cc1OCc1ccon1 ZINC000193101237 570374520 /nfs/dbraw/zinc/37/45/20/570374520.db2.gz CSMHIUCGNHNUME-UHFFFAOYSA-N 0 0 286.114 3.763 50 0 CHAARN Cn1c(=Nc2ccccc2)ssc1=Nc1ccccc1 ZINC000252667368 570377785 /nfs/dbraw/zinc/37/77/85/570377785.db2.gz CWOSWMYNZWMYGC-UHFFFAOYSA-N 0 0 299.424 3.613 50 0 CHAARN O=C(/C=C/c1ccccc1Cl)NCc1ccc(F)cc1 ZINC000000579344 570378625 /nfs/dbraw/zinc/37/86/25/570378625.db2.gz MZMRVYAMHWELKG-JXMROGBWSA-N 0 0 289.737 3.809 50 0 CHAARN Cc1ccc([C@@H](O)c2nc(C)cc3ccccc32)cc1 ZINC000230511290 570380735 /nfs/dbraw/zinc/38/07/35/570380735.db2.gz OASCLERULVWLRI-GOSISDBHSA-N 0 0 263.340 3.933 50 0 CHAARN C=C1c2ccccc2NC(=O)N1Cc1ccccc1 ZINC000012736441 570389940 /nfs/dbraw/zinc/38/99/40/570389940.db2.gz GKRJOUAMFWIRFD-UHFFFAOYSA-N 0 0 250.301 3.705 50 0 CHAARN CNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000012931160 570390477 /nfs/dbraw/zinc/39/04/77/570390477.db2.gz XDYPTGFYLZIBJT-UHFFFAOYSA-N 0 0 296.301 3.507 50 0 CHAARN CC[C@H]1CO[C@H](Cn2c3ccccc3c3ccccc32)O1 ZINC000002357060 570390590 /nfs/dbraw/zinc/39/05/90/570390590.db2.gz OUEUSWBXKLGSDC-UGSOOPFHSA-N 0 0 281.355 3.946 50 0 CHAARN COc1ccc(-c2csc(COC(C)C)n2)cc1OC ZINC000585091557 570392209 /nfs/dbraw/zinc/39/22/09/570392209.db2.gz VCGOYRFDSHONLI-UHFFFAOYSA-N 0 0 293.388 3.752 50 0 CHAARN CCN(Cc1csc(C)n1)[C@@H](C)c1cccc(O)c1 ZINC000079020188 570395970 /nfs/dbraw/zinc/39/59/70/570395970.db2.gz UCNSEHXGZHNSQW-NSHDSACASA-N 0 0 276.405 3.740 50 0 CHAARN COCc1cccc(NC(=O)Nc2ccccc2N(C)C)c1 ZINC000079101338 570396626 /nfs/dbraw/zinc/39/66/26/570396626.db2.gz ZHPYEBNRQAFTFF-UHFFFAOYSA-N 0 0 299.374 3.543 50 0 CHAARN c1[nH]c2ccccc2c1-c1csc(NC[C@@H]2CCCO2)n1 ZINC000002628038 570397295 /nfs/dbraw/zinc/39/72/95/570397295.db2.gz SSMNTCZIOXCFQJ-NSHDSACASA-N 0 0 299.399 3.882 50 0 CHAARN Cc1ccc(CNC(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000003345946 570398775 /nfs/dbraw/zinc/39/87/75/570398775.db2.gz SMWWTHMIIPGPAI-UHFFFAOYSA-N 0 0 297.398 3.960 50 0 CHAARN C[C@H]1CCN2C(c3ccc(Cl)cc3)=CSC2=N1 ZINC000003354337 570399052 /nfs/dbraw/zinc/39/90/52/570399052.db2.gz XTNLAKMNNFQJAZ-VIFPVBQESA-N 0 0 264.781 3.835 50 0 CHAARN COc1cc(C(=O)N[C@H](C)c2ccccc2)cc(OC)c1C ZINC000003437601 570399373 /nfs/dbraw/zinc/39/93/73/570399373.db2.gz OFGIBAUUDZJZOP-CYBMUJFWSA-N 0 0 299.370 3.503 50 0 CHAARN CSc1nnc(Nc2cccc(C)c2C)s1 ZINC000003452738 570399839 /nfs/dbraw/zinc/39/98/39/570399839.db2.gz ZUMGJVBBXJQCKS-UHFFFAOYSA-N 0 0 251.380 3.620 50 0 CHAARN CC1(C)C[C@@]2(C)C[C@@H]1C[C@@H]2OC(=O)c1cccc(O)c1 ZINC000003863577 570400620 /nfs/dbraw/zinc/40/06/20/570400620.db2.gz PZGNDPKDFWGYBC-RVSPLBMKSA-N 0 0 274.360 3.764 50 0 biogenic CHAARN CN1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000067954808 570401008 /nfs/dbraw/zinc/40/10/08/570401008.db2.gz OZXMPGORXVTSPL-NSHDSACASA-N 0 0 297.280 3.522 50 0 CHAARN O=C(CC1CCCC1)N[C@H](c1ccccc1)c1ccccn1 ZINC000069292694 570401679 /nfs/dbraw/zinc/40/16/79/570401679.db2.gz QPPIPWOIZRQBMH-LJQANCHMSA-N 0 0 294.398 3.868 50 0 CHAARN Cc1noc([C@H](C)N[C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000069738824 570402099 /nfs/dbraw/zinc/40/20/99/570402099.db2.gz KFGKWCLWFAHQQA-ZUZCIYMTSA-N 0 0 289.354 3.709 50 0 CHAARN Cc1cccc(NC(=O)CCc2nc3ccccc3s2)n1 ZINC000069741368 570402483 /nfs/dbraw/zinc/40/24/83/570402483.db2.gz PQARSLSTWGWTPF-UHFFFAOYSA-N 0 0 297.383 3.571 50 0 CHAARN O=C(Nc1cccc(Cl)c1)c1cc(-c2cccnc2)on1 ZINC000041460995 570404002 /nfs/dbraw/zinc/40/40/02/570404002.db2.gz RTDFZRLCBUDMDY-UHFFFAOYSA-N 0 0 299.717 3.642 50 0 CHAARN Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)n[nH]c1C1CC1 ZINC000076989892 570405040 /nfs/dbraw/zinc/40/50/40/570405040.db2.gz VGTQUBDMRFALBI-LSDHHAIUSA-N 0 0 295.386 3.646 50 0 CHAARN CC(C)(C)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000027380899 570409206 /nfs/dbraw/zinc/40/92/06/570409206.db2.gz ILDAVUWUGCDCGW-LBPRGKRZSA-N 0 0 286.375 3.580 50 0 CHAARN CCc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)cc1 ZINC000032902271 570410254 /nfs/dbraw/zinc/41/02/54/570410254.db2.gz KASYVUYUMSOWPX-KRWDZBQOSA-N 0 0 280.371 3.621 50 0 CHAARN CC[C@@H](C)C(=O)Nc1ccccc1NC(=O)C(C)(C)C ZINC000952985783 615431722 /nfs/dbraw/zinc/43/17/22/615431722.db2.gz HDWKFJLXNQOROX-LLVKDONJSA-N 0 0 276.380 3.656 50 0 CHAARN Cc1cc([C@H](C)NC(=O)c2c(F)cccc2F)c(C)o1 ZINC000058210208 1125481716 /nfs/dbraw/zinc/48/17/16/1125481716.db2.gz MVTYMGQOPZWYCC-VIFPVBQESA-N 0 0 279.286 3.666 50 0 CHAARN Cc1csc(SCc2nc3ccccc3o2)n1 ZINC000048355307 1120813113 /nfs/dbraw/zinc/81/31/13/1120813113.db2.gz MMNGXAHUGLGVMY-UHFFFAOYSA-N 0 0 262.359 3.885 50 0 CHAARN Cc1nc(C)c(CNc2ccc(C(F)(F)F)cn2)s1 ZINC000195575488 1121852552 /nfs/dbraw/zinc/85/25/52/1121852552.db2.gz HOZBSVFSBTWGKK-UHFFFAOYSA-N 0 0 287.310 3.786 50 0 CHAARN CC/C=C/CC(=O)N(C)[C@H](C)c1nc(C)sc1C ZINC000219433439 1125431977 /nfs/dbraw/zinc/43/19/77/1125431977.db2.gz PBMPQLKEMFSSMV-QROSGCPLSA-N 0 0 266.410 3.636 50 0 CHAARN O=C(Nc1ccc(N2CCCCC2)c2ccncc12)C1CC1 ZINC000014395995 1125519630 /nfs/dbraw/zinc/51/96/30/1125519630.db2.gz FIAIDOWUOPMVNU-UHFFFAOYSA-N 0 0 295.386 3.574 50 0 CHAARN Cc1ccc(NC(=O)N(C)[C@H](CCO)c2ccccc2)cc1 ZINC000075533687 1125551772 /nfs/dbraw/zinc/55/17/72/1125551772.db2.gz MVWKWVQCJPHZMJ-QGZVFWFLSA-N 0 0 298.386 3.582 50 0 CHAARN Cc1ccc(NC(=O)N(C)[C@@H](CCO)c2ccccc2)cc1 ZINC000075533685 1125551777 /nfs/dbraw/zinc/55/17/77/1125551777.db2.gz MVWKWVQCJPHZMJ-KRWDZBQOSA-N 0 0 298.386 3.582 50 0 CHAARN O=C(NC[C@@H]1CCCO1)c1ccc(C2CCCCC2)cc1 ZINC000025044053 1125586735 /nfs/dbraw/zinc/58/67/35/1125586735.db2.gz ZVDSUQHPXAMEFW-KRWDZBQOSA-N 0 0 287.403 3.643 50 0 CHAARN COc1cccc(/C=C\CCSCc2nnc(C)o2)c1 ZINC000885981090 1125633231 /nfs/dbraw/zinc/63/32/31/1125633231.db2.gz NDGDJJULWFNGOG-UTCJRWHESA-N 0 0 290.388 3.723 50 0 CHAARN CC(C)(C)c1ccccc1C(=O)NNc1ccc(F)cc1 ZINC000137183874 1125652391 /nfs/dbraw/zinc/65/23/91/1125652391.db2.gz GZRPWDXJAWWRDS-UHFFFAOYSA-N 0 0 286.350 3.880 50 0 CHAARN CCCS(=O)(=O)N1CCCCC[C@@H]1c1ccc(C)cc1 ZINC000064983870 1125675572 /nfs/dbraw/zinc/67/55/72/1125675572.db2.gz BJDBOJFCJHHRRT-MRXNPFEDSA-N 0 0 295.448 3.652 50 0 CHAARN Cc1ccc(C)c(OC(=O)/C=C/c2ccco2)c1C ZINC000003250839 1125681606 /nfs/dbraw/zinc/68/16/06/1125681606.db2.gz CGOXLDYMBHFZRI-CMDGGOBGSA-N 0 0 256.301 3.824 50 0 CHAARN CC(=O)c1cccc(NC(=O)C=Cc2ccccc2F)c1 ZINC000003561752 1125699399 /nfs/dbraw/zinc/69/93/99/1125699399.db2.gz VPVBEHCWIIQFPB-MDZDMXLPSA-N 0 0 283.302 3.680 50 0 CHAARN COc1ccc(Cl)cc1CNC(=O)/C=C\C(C)(C)C ZINC000222065037 1125774475 /nfs/dbraw/zinc/77/44/75/1125774475.db2.gz ORQHGPYIHOLAEA-FPLPWBNLSA-N 0 0 281.783 3.567 50 0 CHAARN O[C@@H]1c2cc(Cl)ccc2Sc2ccccc2[C@@H]1O ZINC000006931382 1126730161 /nfs/dbraw/zinc/73/01/61/1126730161.db2.gz ZFSPKQPGIWUGPD-UONOGXRCSA-N 0 0 278.760 3.572 50 0 CHAARN CCN(CC)C(=O)Cc1cccn1-c1cccc(Cl)c1 ZINC000065170943 1126735379 /nfs/dbraw/zinc/73/53/79/1126735379.db2.gz ZCYVECRSUICGQI-UHFFFAOYSA-N 0 0 290.794 3.542 50 0 CHAARN O=C(c1cc(F)ccc1F)N(C1CC1)C1CCCC1 ZINC000065590956 1126855194 /nfs/dbraw/zinc/85/51/94/1126855194.db2.gz XAWRZYAQMKSSAR-UHFFFAOYSA-N 0 0 265.303 3.512 50 0 CHAARN CCC[C@@H](CC1CCCC1)C(=O)NCc1cscn1 ZINC000113040270 1126995607 /nfs/dbraw/zinc/99/56/07/1126995607.db2.gz PNIAHNLVBBRHJX-ZDUSSCGKSA-N 0 0 280.437 3.756 50 0 CHAARN Cc1ccc(C)c(C(=O)Nc2nccn2-c2ccccc2)c1 ZINC000170614311 1126997505 /nfs/dbraw/zinc/99/75/05/1126997505.db2.gz BHBXFKJOVOBDEW-UHFFFAOYSA-N 0 0 291.354 3.741 50 0 CHAARN COc1ccc(C=NNc2ccc(Cl)cc2)cc1OC ZINC000254509745 1127108465 /nfs/dbraw/zinc/10/84/65/1127108465.db2.gz LVMMGAGVIVZWDT-UHFFFAOYSA-N 0 0 290.750 3.803 50 0 CHAARN C[C@H](NC(=S)NC1CCCCCC1)c1ccccc1 ZINC000013818465 1127565740 /nfs/dbraw/zinc/56/57/40/1127565740.db2.gz UMBSVPDSASEQGL-ZDUSSCGKSA-N 0 0 276.449 3.935 50 0 CHAARN CCC[C@]1(C)CCCN(C(=O)Cc2c(C)noc2Cl)C1 ZINC000173660804 1127845368 /nfs/dbraw/zinc/84/53/68/1127845368.db2.gz PYYJKEBZEKIEEK-OAHLLOKOSA-N 0 0 298.814 3.608 50 0 CHAARN Fc1ccc(-c2csc(NCc3ccon3)n2)cc1 ZINC000089793832 1127919268 /nfs/dbraw/zinc/91/92/68/1127919268.db2.gz ZZIDFGKWQQBQLY-UHFFFAOYSA-N 0 0 275.308 3.549 50 0 CHAARN Cc1cc(C)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000000150121 1128083694 /nfs/dbraw/zinc/08/36/94/1128083694.db2.gz BALPROIUYFMRJY-UHFFFAOYSA-N 0 0 267.254 3.856 50 0 CHAARN CN(C(=O)[C@H]1C[C@@H]1c1ccco1)c1nc2ccccc2s1 ZINC000089365676 1128117786 /nfs/dbraw/zinc/11/77/86/1128117786.db2.gz QSGJOKJLXMZEJZ-QWRGUYRKSA-N 0 0 298.367 3.656 50 0 CHAARN Cc1cccc2c1N[C@@H](c1cnc(C3CCC3)s1)NC2=O ZINC000089688986 1128121018 /nfs/dbraw/zinc/12/10/18/1128121018.db2.gz LWFOOLDCBQVAGT-CQSZACIVSA-N 0 0 299.399 3.573 50 0 CHAARN Cc1cccc2c1C(=O)N[C@@H](c1cnc(C3CCC3)s1)N2 ZINC000089688965 1128121253 /nfs/dbraw/zinc/12/12/53/1128121253.db2.gz NMGGGIIOSOCNQA-AWEZNQCLSA-N 0 0 299.399 3.573 50 0 CHAARN Fc1ccc2c(c1)[C@@H](SC1=NCCS1)CC2 ZINC000089807184 1128121967 /nfs/dbraw/zinc/12/19/67/1128121967.db2.gz FKTXOVMVQYPVOC-NSHDSACASA-N 0 0 253.367 3.649 50 0 CHAARN C(=CN=Nc1ncnc2ccccc21)Cc1ccccc1 ZINC000254737768 1128195208 /nfs/dbraw/zinc/19/52/08/1128195208.db2.gz PEUVRKKQMRURAM-TUFICTCESA-N 0 0 274.327 3.741 50 0 CHAARN O=C(/C=C/c1cccc2cccnc12)NCc1cccs1 ZINC000032900090 1128423232 /nfs/dbraw/zinc/42/32/32/1128423232.db2.gz WDNKIBOSURNZDM-CMDGGOBGSA-N 0 0 294.379 3.626 50 0 CHAARN C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)NCc2cccs2)o1 ZINC000048557521 1128716875 /nfs/dbraw/zinc/71/68/75/1128716875.db2.gz QBMHUNCNDLRRIP-YFNYUDOPSA-N 0 0 287.384 3.794 50 0 CHAARN CC[C@@H]1CCCCN1c1nc2cc(C)nn2c2ccccc21 ZINC000007813486 1128727107 /nfs/dbraw/zinc/72/71/07/1128727107.db2.gz CBRGTEVVSMGETM-CQSZACIVSA-N 0 0 294.402 3.960 50 0 CHAARN O=C(Nc1ccc2ccccc2c1)Nc1ccccn1 ZINC000000295297 1117748403 /nfs/dbraw/zinc/74/84/03/1117748403.db2.gz OGPFUIVGUARMKB-UHFFFAOYSA-N 0 0 263.300 3.879 50 0 CHAARN CCOC1CC(c2nc(-c3nccc4ccccc43)no2)C1 ZINC000287399913 1117956356 /nfs/dbraw/zinc/95/63/56/1117956356.db2.gz QTSNOAHXUMOHET-UHFFFAOYSA-N 0 0 295.342 3.567 50 0 CHAARN c1ccc(C[C@H](Nc2ncccn2)c2ccccc2)cc1 ZINC000022034770 1118177783 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/nfs/dbraw/zinc/03/88/80/175038880.db2.gz YXQYMBLCAGMOMD-ZWNOBZJWSA-N 0 0 264.344 3.834 50 0 CHAARN Cc1cc(C(=O)N[C@H](C)c2cccc3ccccc32)no1 ZINC000043544806 175064272 /nfs/dbraw/zinc/06/42/72/175064272.db2.gz GGTBLUBLLQAXPP-GFCCVEGCSA-N 0 0 280.327 3.627 50 0 CHAARN O=C(Nc1cccc2ncccc21)c1c[nH]c2ccccc12 ZINC000044442361 175175687 /nfs/dbraw/zinc/17/56/87/175175687.db2.gz HXYOSOXCCYSCRX-UHFFFAOYSA-N 0 0 287.322 3.968 50 0 CHAARN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)O ZINC000044594137 175214784 /nfs/dbraw/zinc/21/47/84/175214784.db2.gz QMRHMRNGDXFMPD-MRVPVSSYSA-N 0 0 298.205 3.934 50 0 CHAARN CCc1ccc(C(=O)N(Cc2ccco2)C2CC2)s1 ZINC000044698576 175235566 /nfs/dbraw/zinc/23/55/66/175235566.db2.gz SLTQXCPHTCJFGQ-UHFFFAOYSA-N 0 0 275.373 3.708 50 0 CHAARN CCOc1cccc(CNC(=O)Nc2ccc(F)cc2)c1 ZINC000044845297 175264494 /nfs/dbraw/zinc/26/44/94/175264494.db2.gz GZWVJPWAUMCSKM-UHFFFAOYSA-N 0 0 288.322 3.546 50 0 CHAARN CCOc1ccc(CNC(=O)Nc2ccc(F)cc2)cc1 ZINC000044845301 175264771 /nfs/dbraw/zinc/26/47/71/175264771.db2.gz GBQNZZUBRAXPTA-UHFFFAOYSA-N 0 0 288.322 3.546 50 0 CHAARN Cc1ccsc1CN(C)C(=O)NCc1ccc(F)cc1 ZINC000044890957 175272592 /nfs/dbraw/zinc/27/25/92/175272592.db2.gz LUAONSBUTQSCNY-UHFFFAOYSA-N 0 0 292.379 3.537 50 0 CHAARN O=C(c1ccsc1)N1CCC[C@H]1c1ccsc1 ZINC000044940686 175282135 /nfs/dbraw/zinc/28/21/35/175282135.db2.gz OGNIXVSBPDBQRO-LBPRGKRZSA-N 0 0 263.387 3.787 50 0 CHAARN O=C(c1cccc(F)c1)N(Cc1cccs1)C1CC1 ZINC000045257175 175336904 /nfs/dbraw/zinc/33/69/04/175336904.db2.gz ODKWXMTXSNSNDX-UHFFFAOYSA-N 0 0 275.348 3.692 50 0 CHAARN Cc1cc(C)cc(NCc2nc(-c3ccccc3)no2)c1 ZINC000046170491 175394022 /nfs/dbraw/zinc/39/40/22/175394022.db2.gz BRLJPGGNNIKYML-UHFFFAOYSA-N 0 0 279.343 3.966 50 0 CHAARN Cc1cc([C@@H](C)NC(=O)C[C@H]2C=CCC2)c(C)s1 ZINC000046240550 175394914 /nfs/dbraw/zinc/39/49/14/175394914.db2.gz FMURUWUXIWJIFP-YPMHNXCESA-N 0 0 263.406 3.898 50 0 CHAARN Cc1cc([C@H](C)NC(=O)C[C@@H]2C=CCC2)c(C)s1 ZINC000046240554 175394925 /nfs/dbraw/zinc/39/49/25/175394925.db2.gz FMURUWUXIWJIFP-WCQYABFASA-N 0 0 263.406 3.898 50 0 CHAARN O=C(c1cc(Cl)c[nH]1)N1CCC[C@@H]1c1ccsc1 ZINC000046913154 175401613 /nfs/dbraw/zinc/40/16/13/175401613.db2.gz JHRHAPLHBBIHKN-GFCCVEGCSA-N 0 0 280.780 3.707 50 0 CHAARN FC(F)Oc1ccc(Br)cc1Cl ZINC000047203167 175405187 /nfs/dbraw/zinc/40/51/87/175405187.db2.gz DWKPACZUZNQYSQ-UHFFFAOYSA-N 0 0 257.461 3.704 50 0 CHAARN CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)C(C)C)c1 ZINC000048258807 175423363 /nfs/dbraw/zinc/42/33/63/175423363.db2.gz FCLLISQZVMTNLG-GFCCVEGCSA-N 0 0 291.395 3.510 50 0 CHAARN CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2F)s1 ZINC000048332049 175428328 /nfs/dbraw/zinc/42/83/28/175428328.db2.gz HCAAHXKBLIGNTH-VIFPVBQESA-N 0 0 291.347 3.581 50 0 CHAARN O=C(c1cccc(F)c1)N1CCC(Oc2ccccc2)CC1 ZINC000049706030 175498081 /nfs/dbraw/zinc/49/80/81/175498081.db2.gz WIQAMEQTSQACPR-UHFFFAOYSA-N 0 0 299.345 3.509 50 0 CHAARN Cc1cc(C)cc(Cn2nc(-c3ccccc3)ccc2=O)c1 ZINC000052892722 175540568 /nfs/dbraw/zinc/54/05/68/175540568.db2.gz SNGPQSWVUMJSKE-UHFFFAOYSA-N 0 0 290.366 3.575 50 0 CHAARN CCC(CC)N(C)C(=O)N[C@H](C)Cc1ccsc1 ZINC000057855946 175602436 /nfs/dbraw/zinc/60/24/36/175602436.db2.gz QCOJDDKPDALEGB-LLVKDONJSA-N 0 0 268.426 3.509 50 0 CHAARN C[C@@H](NC(=O)c1cccs1)c1nc(-c2ccccc2)c[nH]1 ZINC000058215517 175612186 /nfs/dbraw/zinc/61/21/86/175612186.db2.gz BFSDQRNLMSQHMN-LLVKDONJSA-N 0 0 297.383 3.629 50 0 CHAARN Cc1noc(C)c1NC(=O)N(C)[C@H](C)c1ccccc1 ZINC000060382073 175637501 /nfs/dbraw/zinc/63/75/01/175637501.db2.gz ZJFDZDDESAUPRA-LLVKDONJSA-N 0 0 273.336 3.516 50 0 CHAARN O=S(=O)(Cc1csc(C2CCCC2)n1)C1CCCC1 ZINC000063926597 175690014 /nfs/dbraw/zinc/69/00/14/175690014.db2.gz VLZHBEHQVFEBRW-UHFFFAOYSA-N 0 0 299.461 3.658 50 0 CHAARN CC[C@@H](C)NC(=O)c1cc(C)nc2c(Cl)cccc12 ZINC000064553189 175694616 /nfs/dbraw/zinc/69/46/16/175694616.db2.gz RNEZSIUHNQXDPR-SECBINFHSA-N 0 0 276.767 3.725 50 0 CHAARN CSc1cccc(Nc2nc(C)nc3onc(C)c32)c1 ZINC000064658805 175696657 /nfs/dbraw/zinc/69/66/57/175696657.db2.gz TYEMWXDJXSVSLY-UHFFFAOYSA-N 0 0 286.360 3.700 50 0 CHAARN CCCS(=O)(=O)N1CCCCC[C@@H]1c1cccc(C)c1 ZINC000064983873 175699858 /nfs/dbraw/zinc/69/98/58/175699858.db2.gz UHUGFDVXGNFCJC-MRXNPFEDSA-N 0 0 295.448 3.652 50 0 CHAARN Cc1ccc(-c2ncccc2CNC(=O)c2ccco2)cc1 ZINC000065171352 175702858 /nfs/dbraw/zinc/70/28/58/175702858.db2.gz UUCQSDPJUQTRSE-UHFFFAOYSA-N 0 0 292.338 3.580 50 0 CHAARN Cc1cccc2c1CCN(C(=O)c1cccc(F)c1)[C@@H]2C ZINC000065293088 175708718 /nfs/dbraw/zinc/70/87/18/175708718.db2.gz DQGYFVZTTKPUJI-CYBMUJFWSA-N 0 0 283.346 3.894 50 0 CHAARN C[C@@H]1c2ccccc2CCN1C(=O)c1cccc(F)c1 ZINC000065293094 175708816 /nfs/dbraw/zinc/70/88/16/175708816.db2.gz KDWKSWTYLOLFOX-GFCCVEGCSA-N 0 0 269.319 3.585 50 0 CHAARN CCCCn1ncc2cc(Br)ccc21 ZINC000065337569 175709659 /nfs/dbraw/zinc/70/96/59/175709659.db2.gz WZKCPFIDHKMCCK-UHFFFAOYSA-N 0 0 253.143 3.599 50 0 CHAARN Oc1ccccc1-c1ccc(OC(F)(F)F)cc1 ZINC000065340129 175710202 /nfs/dbraw/zinc/71/02/02/175710202.db2.gz ZEZXSNOQLCKMNC-UHFFFAOYSA-N 0 0 254.207 3.958 50 0 CHAARN CCO[C@@H](C)c1ccc(-c2ccc(NC(C)=O)nc2)cc1 ZINC000065504330 175745015 /nfs/dbraw/zinc/74/50/15/175745015.db2.gz XGNAOUBNBRGZTJ-LBPRGKRZSA-N 0 0 284.359 3.805 50 0 CHAARN c1nc(-c2ccccc2)c(COCc2ccccc2)[nH]1 ZINC000065529358 175747477 /nfs/dbraw/zinc/74/74/77/175747477.db2.gz KTBGUMZAOAMJSZ-UHFFFAOYSA-N 0 0 264.328 3.794 50 0 CHAARN COc1cc(Cl)ccc1C(=O)N(C)Cc1ccc(C)o1 ZINC000067129022 175769521 /nfs/dbraw/zinc/76/95/21/175769521.db2.gz DAYUWGSUKNRYBM-UHFFFAOYSA-N 0 0 293.750 3.522 50 0 CHAARN COc1ccc(C2=NC3(CCCCCC3)NC2=S)cc1 ZINC000067172582 175770055 /nfs/dbraw/zinc/77/00/55/175770055.db2.gz JZGXMEKQURYHFK-UHFFFAOYSA-N 0 0 288.416 3.877 50 0 CHAARN CCc1c(C)scc1C(=O)N[C@H](CC)c1ccccn1 ZINC000067677443 175783533 /nfs/dbraw/zinc/78/35/33/175783533.db2.gz SOUJDOHVNMWURW-CQSZACIVSA-N 0 0 288.416 3.895 50 0 CHAARN O[C@H](c1cccc(F)c1)c1cc(Br)ccc1F ZINC000068860806 175816515 /nfs/dbraw/zinc/81/65/15/175816515.db2.gz WOMAJKXLVYKLBY-CYBMUJFWSA-N 0 0 299.114 3.809 50 0 CHAARN CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2ccccc2n1CC ZINC000069451752 175830345 /nfs/dbraw/zinc/83/03/45/175830345.db2.gz MCOPFALSNXBZAU-CJNGLKHVSA-N 0 0 299.418 3.766 50 0 CHAARN CC[C@H](NC(=O)c1sccc1C)c1ccc(OC)cc1 ZINC000069712235 175849254 /nfs/dbraw/zinc/84/92/54/175849254.db2.gz QQJHPJUMYJUOFA-AWEZNQCLSA-N 0 0 289.400 3.946 50 0 CHAARN C[C@H](Sc1ccc(-n2cccn2)nn1)c1ccccc1 ZINC000070635245 175998249 /nfs/dbraw/zinc/99/82/49/175998249.db2.gz MJVMWCNLRICSBP-LBPRGKRZSA-N 0 0 282.372 3.516 50 0 CHAARN O=C(Cn1ccc2ccccc21)Nc1cccc2[nH]ccc21 ZINC000070666621 176000069 /nfs/dbraw/zinc/00/00/69/176000069.db2.gz YJDRFEYHMPNHME-UHFFFAOYSA-N 0 0 289.338 3.761 50 0 biogenic CHAARN O=C(Cc1ccc(Cl)cc1F)Nc1ccccc1 ZINC000071384672 176147030 /nfs/dbraw/zinc/14/70/30/176147030.db2.gz LSIYTNSKLNJVNA-UHFFFAOYSA-N 0 0 263.699 3.660 50 0 CHAARN Brc1ccc2c(c1)[C@H]1CCCC[C@@H]1N2 ZINC000071484271 176188870 /nfs/dbraw/zinc/18/88/70/176188870.db2.gz FWGKDJGZEJDJEF-KOLCDFICSA-N 0 0 252.155 3.901 50 0 CHAARN CC(C)c1nccc(CN(C)[C@@H](C)c2cccs2)n1 ZINC000071639253 176238392 /nfs/dbraw/zinc/23/83/92/176238392.db2.gz ODQSRQQWAOJAPM-LBPRGKRZSA-N 0 0 275.421 3.855 50 0 CHAARN C[C@H]1CN(Cc2nccn2CC(F)(F)F)c2ccccc21 ZINC000071797101 176264808 /nfs/dbraw/zinc/26/48/08/176264808.db2.gz KOQTWHVCKOZTLL-NSHDSACASA-N 0 0 295.308 3.569 50 0 CHAARN CN(CC1CCCC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000071803327 176266618 /nfs/dbraw/zinc/26/66/18/176266618.db2.gz WESLMSOAOXTLIO-UHFFFAOYSA-N 0 0 271.364 3.822 50 0 CHAARN CCC[C@H]1CCCN(C(=O)c2c(C)nsc2NC)CC1 ZINC000071846700 176276094 /nfs/dbraw/zinc/27/60/94/176276094.db2.gz TWOLMNKJWMJDKJ-LBPRGKRZSA-N 0 0 295.452 3.536 50 0 CHAARN Cc1cc(C[S@](=O)Cc2ccc(C(C)(C)C)cc2)no1 ZINC000071859035 176279428 /nfs/dbraw/zinc/27/94/28/176279428.db2.gz XDQLJKFIUOVWRG-FQEVSTJZSA-N 0 0 291.416 3.729 50 0 CHAARN Cc1cc(C[S@@](=O)Cc2ccc(C(C)(C)C)cc2)on1 ZINC000071859036 176279584 /nfs/dbraw/zinc/27/95/84/176279584.db2.gz QDBAKAWMYTXBBS-HXUWFJFHSA-N 0 0 291.416 3.729 50 0 CHAARN CCN(C(C)=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000071883012 176289321 /nfs/dbraw/zinc/28/93/21/176289321.db2.gz NIPUUYINUDAJHI-QGZVFWFLSA-N 0 0 271.335 3.784 50 0 CHAARN Cc1cccc(-n2ccnc2SCc2ccno2)c1C ZINC000071886874 176290183 /nfs/dbraw/zinc/29/01/83/176290183.db2.gz BVGJTZICHFSYFY-UHFFFAOYSA-N 0 0 285.372 3.769 50 0 CHAARN CC[C@H](C)c1nnc(-c2cnc3onc(C(C)C)c3c2)o1 ZINC000071890721 176290857 /nfs/dbraw/zinc/29/08/57/176290857.db2.gz KOERXFXCQZQLOI-VIFPVBQESA-N 0 0 286.335 3.910 50 0 CHAARN Cc1nnc([C@@H](C)Nc2ccc(Br)c(C)c2)o1 ZINC000071902382 176294389 /nfs/dbraw/zinc/29/43/89/176294389.db2.gz CLEJVFDRVMJTRB-MRVPVSSYSA-N 0 0 296.168 3.622 50 0 CHAARN CN(C(=O)CC1=CCCCC1)c1ccc(Cl)cn1 ZINC000071914741 176298855 /nfs/dbraw/zinc/29/88/55/176298855.db2.gz KPKQSFPCLZXFKW-UHFFFAOYSA-N 0 0 264.756 3.588 50 0 CHAARN COc1ccc(CNCc2ccco2)c(C(F)(F)F)c1 ZINC000071924582 176301402 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/nfs/dbraw/zinc/34/97/21/176349721.db2.gz HXALDNKZFIINGS-UHFFFAOYSA-N 0 0 285.274 3.609 50 0 CHAARN Cc1ncc(NC(=O)C2CCCCC2)c(C)c1Cl ZINC000072265147 176352006 /nfs/dbraw/zinc/35/20/06/176352006.db2.gz WMKSHSFEOZIKCV-UHFFFAOYSA-N 0 0 266.772 3.871 50 0 CHAARN O[C@@H](CSCCc1cccs1)c1ccccc1 ZINC000072278800 176357179 /nfs/dbraw/zinc/35/71/79/176357179.db2.gz PXSAVOZAZATVEA-AWEZNQCLSA-N 0 0 264.415 3.757 50 0 CHAARN Cc1ccc(-c2cc(NC(=O)CC3CCCC3)n[nH]2)s1 ZINC000072278463 176357442 /nfs/dbraw/zinc/35/74/42/176357442.db2.gz PHFWQOJRHRPHKW-UHFFFAOYSA-N 0 0 289.404 3.965 50 0 CHAARN Clc1cnc2c(OCc3ccccc3)cccn12 ZINC000072319835 176368523 /nfs/dbraw/zinc/36/85/23/176368523.db2.gz FRVRMNWDDJGQTH-UHFFFAOYSA-N 0 0 258.708 3.567 50 0 CHAARN CC(C)Cn1ccc2c1cccc2NC(=O)c1cccnc1 ZINC000072326102 176369516 /nfs/dbraw/zinc/36/95/16/176369516.db2.gz MZXBTLBBFFVWRM-UHFFFAOYSA-N 0 0 293.370 3.945 50 0 biogenic CHAARN Cn1cc(C(=O)Nc2cccc3[nH]ccc32)c2ccccc21 ZINC000072324662 176369664 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526517987 /nfs/dbraw/zinc/51/79/87/526517987.db2.gz QXCHUIABDRYFFT-CQSZACIVSA-N 0 0 259.374 3.647 50 0 CHAARN CC(C)Cc1ccc(C[S@@](=O)CC2CCOCC2)cc1 ZINC000096484815 528650875 /nfs/dbraw/zinc/65/08/75/528650875.db2.gz KVFBGYUHVPGKCG-FQEVSTJZSA-N 0 0 294.460 3.560 50 0 CHAARN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccn1 ZINC000004750089 529162291 /nfs/dbraw/zinc/16/22/91/529162291.db2.gz CEGKAAYDEYMNAR-ZDUSSCGKSA-N 0 0 290.750 3.531 50 0 CHAARN CC[C@H](Oc1ccccc1)c1nc(-c2ccccn2)no1 ZINC000000471762 529162351 /nfs/dbraw/zinc/16/23/51/529162351.db2.gz WXBRVQIGGTUARW-AWEZNQCLSA-N 0 0 281.315 3.662 50 0 CHAARN CC[C@@H](NCc1nccn1CC(C)C)c1ccc(F)cc1 ZINC000096478403 529190514 /nfs/dbraw/zinc/19/05/14/529190514.db2.gz CLKXEWRLTMEUPB-MRXNPFEDSA-N 0 0 289.398 3.919 50 0 CHAARN CCCCn1ccnc1C1CCN(c2ccc(C)cn2)CC1 ZINC000091426171 535154145 /nfs/dbraw/zinc/15/41/45/535154145.db2.gz CUWNLPBASUENSX-UHFFFAOYSA-N 0 0 298.434 3.771 50 0 CHAARN CS[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000031664625 567214258 /nfs/dbraw/zinc/21/42/58/567214258.db2.gz MJDAFZDIGZNYSS-LURJTMIESA-N 0 0 264.177 3.683 50 0 CHAARN CCCC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 ZINC000004865980 567859195 /nfs/dbraw/zinc/85/91/95/567859195.db2.gz KXUHPPYHICYAPF-CYBMUJFWSA-N 0 0 260.381 3.804 50 0 CHAARN CCC(CC)c1nnc(NC(=O)c2cccs2)s1 ZINC000000617400 567834371 /nfs/dbraw/zinc/83/43/71/567834371.db2.gz LFJFALMXCAEBKZ-UHFFFAOYSA-N 0 0 281.406 3.756 50 0 CHAARN Cc1ccc(S(=O)(=O)c2csc(C(C)(C)C)n2)cc1 ZINC000016742534 567873603 /nfs/dbraw/zinc/87/36/03/567873603.db2.gz WGGYODJLMYBMIT-UHFFFAOYSA-N 0 0 295.429 3.582 50 0 CHAARN Brc1cccc(N2Cc3ccccc3C2)c1 ZINC000000173359 567924385 /nfs/dbraw/zinc/92/43/85/567924385.db2.gz HIEWWKYPWCITTF-UHFFFAOYSA-N 0 0 274.161 3.969 50 0 CHAARN C[C@@H]1CC[C@H](Nc2ccc(Cl)c(C[S@](C)=O)c2)C1 ZINC000097371131 570218861 /nfs/dbraw/zinc/21/88/61/570218861.db2.gz JMTKTTABRFRNOL-GDAOTKPNSA-N 0 0 285.840 3.819 50 0 CHAARN O=C(NCc1ccsc1)c1ccccc1C(F)(F)F ZINC000013698106 570364167 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3.846 50 0 CHAARN CSc1ccc(C(=O)c2ccc(CN3CCC3)cc2)cc1 ZINC000002514613 567846414 /nfs/dbraw/zinc/84/64/14/567846414.db2.gz RIXFPGAWSQVILR-UHFFFAOYSA-N 0 0 297.423 3.845 50 0 CHAARN Cc1cccc(C)c1C(=O)c1cccc(CN2CC=CC2)c1 ZINC000002515400 567846704 /nfs/dbraw/zinc/84/67/04/567846704.db2.gz CWUVQJCZECFPHH-UHFFFAOYSA-N 0 0 291.394 3.906 50 0 CHAARN CCOC(=O)c1ccc(C(=O)CCc2ccccc2)cc1 ZINC000002516321 567846877 /nfs/dbraw/zinc/84/68/77/567846877.db2.gz URFKPOPPBNTGDB-UHFFFAOYSA-N 0 0 282.339 3.679 50 0 CHAARN CCOC(=O)c1ccccc1C(=O)CCc1cccc(C)c1 ZINC000002516420 567846945 /nfs/dbraw/zinc/84/69/45/567846945.db2.gz OKVVXADCZFGKSB-UHFFFAOYSA-N 0 0 296.366 3.987 50 0 CHAARN O=C(CCc1ccc(Br)cc1)C1CCC1 ZINC000002517210 567847048 /nfs/dbraw/zinc/84/70/48/567847048.db2.gz ZBTBCQVOZNAYRD-UHFFFAOYSA-N 0 0 267.166 3.751 50 0 CHAARN COc1ccc(C(=O)CCc2cccc(F)c2)cc1 ZINC000002517321 567847163 /nfs/dbraw/zinc/84/71/63/567847163.db2.gz AMZMQPIMDDWCLG-UHFFFAOYSA-N 0 0 258.292 3.650 50 0 CHAARN CC1(C)COC(CCCCC(=O)c2ccc(F)cc2)OC1 ZINC000002518058 567847545 /nfs/dbraw/zinc/84/75/45/567847545.db2.gz OLXPDJGEXBILSR-UHFFFAOYSA-N 0 0 294.366 3.968 50 0 CHAARN COC(=O)c1ccc(COc2c(C)cccc2Cl)o1 ZINC000002534327 567847744 /nfs/dbraw/zinc/84/77/44/567847744.db2.gz CWLRSQUQAOEFCY-UHFFFAOYSA-N 0 0 280.707 3.607 50 0 CHAARN Fc1c(F)c(C(F)(F)F)ccc1Br ZINC000002560160 567848033 /nfs/dbraw/zinc/84/80/33/567848033.db2.gz MCORQPVVYSDQAE-UHFFFAOYSA-N 0 0 260.987 3.746 50 0 CHAARN COc1ccc(C=O)cc1OCc1ccc(F)cc1Cl ZINC000002558325 567848078 /nfs/dbraw/zinc/84/80/78/567848078.db2.gz QUYBROWQBWBSFO-UHFFFAOYSA-N 0 0 294.709 3.879 50 0 CHAARN CCc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000002626182 567848702 /nfs/dbraw/zinc/84/87/02/567848702.db2.gz ZMFGOEYSWYLXCD-UHFFFAOYSA-N 0 0 285.343 3.519 50 0 CHAARN O=C1C=CC(=O)N1c1ccc2c3c(cccc31)-c1ccccc1-2 ZINC000002584368 567848717 /nfs/dbraw/zinc/84/87/17/567848717.db2.gz TUISHUGHCOJZCP-UHFFFAOYSA-N 0 0 297.313 3.917 50 0 CHAARN C[C@@H](Oc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000002759066 567848976 /nfs/dbraw/zinc/84/89/76/567848976.db2.gz ZIHCSSPPKOUGKT-KDOFPFPSSA-N 0 0 295.382 3.648 50 0 CHAARN Fc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nccc3N2)cc1 ZINC000002766652 567849070 /nfs/dbraw/zinc/84/90/70/567849070.db2.gz GSGLBLIAPYQJFC-WDEREUQCSA-N 0 0 285.244 3.683 50 0 CHAARN CC[C@@H](C)c1ccc(NC(=O)c2cnn(CC)c2C)cc1 ZINC000002760099 567849252 /nfs/dbraw/zinc/84/92/52/567849252.db2.gz FDADSFWDWCYCLY-GFCCVEGCSA-N 0 0 285.391 3.977 50 0 CHAARN O=C(c1ccccc1)N(Cc1ccco1)c1ccc(O)cc1 ZINC000002837757 567849400 /nfs/dbraw/zinc/84/94/00/567849400.db2.gz KIFLOHMDOLRRAX-UHFFFAOYSA-N 0 0 293.322 3.832 50 0 CHAARN O=C(NC1CCCCCCC1)c1cc2ccccc2oc1=O ZINC000002772473 567849420 /nfs/dbraw/zinc/84/94/20/567849420.db2.gz DKBRUXRCZMHYIM-UHFFFAOYSA-N 0 0 299.370 3.636 50 0 CHAARN Cc1ccc(OCCOc2cccc(C=O)c2)cc1C ZINC000002834403 567849465 /nfs/dbraw/zinc/84/94/65/567849465.db2.gz VWDVWCAGEAGSPF-UHFFFAOYSA-N 0 0 270.328 3.574 50 0 CHAARN C[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccccc1 ZINC000002873554 567849766 /nfs/dbraw/zinc/84/97/66/567849766.db2.gz XOAAOOZWWUAVDN-CYBMUJFWSA-N 0 0 292.338 3.833 50 0 aggregator CHAARN Cc1cccc(C2N=NC(=S)N2Cc2ccccc2)c1 ZINC000002856278 567849862 /nfs/dbraw/zinc/84/98/62/567849862.db2.gz IZMAPVDOLCBTKI-UHFFFAOYSA-N 0 0 281.384 3.591 50 0 CHAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C ZINC000002876401 567849915 /nfs/dbraw/zinc/84/99/15/567849915.db2.gz DKLFDWKNQKSJAS-VIFPVBQESA-N 0 0 261.394 3.544 50 0 CHAARN Cc1ccccc1O[C@@H](C)C(=O)NCCCc1ccccc1 ZINC000002879817 567849993 /nfs/dbraw/zinc/84/99/93/567849993.db2.gz PWDVYCBBTCDTPO-INIZCTEOSA-N 0 0 297.398 3.511 50 0 CHAARN CCOc1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000002889973 567850400 /nfs/dbraw/zinc/85/04/00/567850400.db2.gz MRBLGJJNXMWHMQ-UHFFFAOYSA-N 0 0 274.295 3.868 50 0 CHAARN COc1ccc(OCCCOc2ccc(F)cc2)cc1 ZINC000002904516 567850486 /nfs/dbraw/zinc/85/04/86/567850486.db2.gz WTOUXPZIABIDDM-UHFFFAOYSA-N 0 0 276.307 3.682 50 0 CHAARN COc1cccc(OCCOc2ccc(Cl)cc2)c1 ZINC000002986883 567850886 /nfs/dbraw/zinc/85/08/86/567850886.db2.gz AVNOTCODPATBOY-UHFFFAOYSA-N 0 0 278.735 3.806 50 0 CHAARN CCCC[C@H](CC)CNC(=O)c1c(OC)cccc1OC ZINC000002989117 567850959 /nfs/dbraw/zinc/85/09/59/567850959.db2.gz ADGTWRVGUNZDHF-ZDUSSCGKSA-N 0 0 293.407 3.650 50 0 biogenic CHAARN COc1cccc(NC(=O)C[C@H](C)c2ccccc2)c1 ZINC000002993226 567851036 /nfs/dbraw/zinc/85/10/36/567851036.db2.gz VGOCZGSMTCPPJL-ZDUSSCGKSA-N 0 0 269.344 3.828 50 0 CHAARN Cc1cc(C)cc(OS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000003000124 567851051 /nfs/dbraw/zinc/85/10/51/567851051.db2.gz AOHQPLHKOOOYOO-UHFFFAOYSA-N 0 0 296.775 3.725 50 0 CHAARN CCC1(C)CC(=O)N(c2ccc(F)c(Cl)c2)C(=O)C1 ZINC000003119548 567851611 /nfs/dbraw/zinc/85/16/11/567851611.db2.gz DDLZPBKVXXYIMN-UHFFFAOYSA-N 0 0 283.730 3.549 50 0 CHAARN C[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1 ZINC000003215043 567851902 /nfs/dbraw/zinc/85/19/02/567851902.db2.gz OMFNCCVYXYKSNC-QMMMGPOBSA-N 0 0 297.251 3.734 50 0 CHAARN Cc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000003181923 567851982 /nfs/dbraw/zinc/85/19/82/567851982.db2.gz XGKKSRFEWGSTEN-UHFFFAOYSA-N 0 0 272.373 3.583 50 0 CHAARN O=C(CCSc1ccccc1)NC1CCCCC1 ZINC000003350185 567852233 /nfs/dbraw/zinc/85/22/33/567852233.db2.gz ICAAHWXPQRIMCQ-UHFFFAOYSA-N 0 0 263.406 3.618 50 0 CHAARN CCc1ccc(-c2nn(Cc3ccccc3)cc2C=O)cc1 ZINC000003330555 567852239 /nfs/dbraw/zinc/85/22/39/567852239.db2.gz RRDFHGPQEZKYNR-UHFFFAOYSA-N 0 0 290.366 3.973 50 0 CHAARN Cc1cccc(C(=O)c2c(N)sc3c2CC[C@@H](C)C3)c1 ZINC000003338709 567852408 /nfs/dbraw/zinc/85/24/08/567852408.db2.gz LVFUJBNKVVMXQX-LLVKDONJSA-N 0 0 285.412 3.995 50 0 aggregator CHAARN C[C@@H]1CCc2c(sc(N)c2C(=O)c2ccccc2)C1 ZINC000003415974 567852683 /nfs/dbraw/zinc/85/26/83/567852683.db2.gz MOGSGHDYFNBOLC-SNVBAGLBSA-N 0 0 271.385 3.686 50 0 CHAARN Cc1cc(NC(=O)C(C)(C)C)ccc1Br ZINC000003411179 567852811 /nfs/dbraw/zinc/85/28/11/567852811.db2.gz BRCMJRMHXZWILJ-UHFFFAOYSA-N 0 0 270.170 3.742 50 0 CHAARN Cc1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000003554461 567853245 /nfs/dbraw/zinc/85/32/45/567853245.db2.gz HLFXGAAJVFJFTN-UHFFFAOYSA-N 0 0 293.288 3.944 50 0 CHAARN O=C1CCCCCCCCCCOCCCCO1 ZINC000003881672 567854134 /nfs/dbraw/zinc/85/41/34/567854134.db2.gz MRMOPGVGWFNHIN-UHFFFAOYSA-N 0 0 256.386 3.851 50 0 biogenic CHAARN Cc1ccnc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000003880469 567854354 /nfs/dbraw/zinc/85/43/54/567854354.db2.gz OXLURTNYIGOKJX-UHFFFAOYSA-N 0 0 270.376 3.545 50 0 CHAARN Cc1nc(C)c(-c2cccc(Br)c2)o1 ZINC000057538869 567881190 /nfs/dbraw/zinc/88/11/90/567881190.db2.gz RCYGGGCMWUGSAE-UHFFFAOYSA-N 0 0 252.111 3.721 50 0 CHAARN COc1cccc(OC)c1C(=O)Nc1cc(C)cc(C)c1 ZINC000004010708 567854485 /nfs/dbraw/zinc/85/44/85/567854485.db2.gz NIFHBKKMJNKORK-UHFFFAOYSA-N 0 0 285.343 3.573 50 0 CHAARN COc1cc(/C=C/c2ccc3cccc(O)c3n2)ccc1O ZINC000004003886 567854581 /nfs/dbraw/zinc/85/45/81/567854581.db2.gz XXHVBSAGSCILQX-VMPITWQZSA-N 0 0 293.322 3.825 50 0 biogenic CHAARN COc1ccc(-c2cc(-c3ccc(C)cc3O)[nH]n2)cc1 ZINC000004019564 567854682 /nfs/dbraw/zinc/85/46/82/567854682.db2.gz GIHKGGCDNBVFBR-UHFFFAOYSA-N 0 0 280.327 3.766 50 0 CHAARN CCc1ccccc1NC(=O)c1cc(CC(C)C)on1 ZINC000003909083 567854690 /nfs/dbraw/zinc/85/46/90/567854690.db2.gz OJPQCRIILOPWLB-UHFFFAOYSA-N 0 0 272.348 3.688 50 0 CHAARN O=c1oc(-c2ccccc2)nc2c3ccccc3oc21 ZINC000004029926 567855107 /nfs/dbraw/zinc/85/51/07/567855107.db2.gz RUCMBASSSMBWEW-UHFFFAOYSA-N 0 0 263.252 3.601 50 0 biogenic CHAARN O=C1CCC[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]12 ZINC000004041283 567855140 /nfs/dbraw/zinc/85/51/40/567855140.db2.gz RFCMYEBTZKSRRN-GUDVDZBRSA-N 0 0 293.366 3.917 50 0 CHAARN CCN1c2ccccc2S[C@H](c2ccco2)CC1=O ZINC000004101985 567855479 /nfs/dbraw/zinc/85/54/79/567855479.db2.gz MOACYJCKUCDILX-AWEZNQCLSA-N 0 0 273.357 3.870 50 0 CHAARN CCc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1 ZINC000004163197 567855680 /nfs/dbraw/zinc/85/56/80/567855680.db2.gz VFKGJKVQTGKCOJ-UHFFFAOYSA-N 0 0 292.338 3.552 50 0 CHAARN C[C@@H]1CCCN(C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)C1 ZINC000004185403 567855718 /nfs/dbraw/zinc/85/57/18/567855718.db2.gz UIMQZAVFCDNWAF-JFGNBEQYSA-N 0 0 290.234 3.836 50 0 CHAARN O=C(Nc1ccon1)c1cc2c(s1)CCCCCC2 ZINC000004195926 567855774 /nfs/dbraw/zinc/85/57/74/567855774.db2.gz OVJKSYILENMGJN-UHFFFAOYSA-N 0 0 276.361 3.647 50 0 CHAARN OCc1c(Cl)n(-c2ccccc2)nc1-c1ccccc1 ZINC000004228172 567856038 /nfs/dbraw/zinc/85/60/38/567856038.db2.gz GBPUTRPDZPPGRV-UHFFFAOYSA-N 0 0 284.746 3.685 50 0 CHAARN COc1c(C)cc(C(=O)c2ccc(F)c(F)c2)cc1C ZINC000004255048 567856236 /nfs/dbraw/zinc/85/62/36/567856236.db2.gz NTEYQUCAZAUNNI-UHFFFAOYSA-N 0 0 276.282 3.821 50 0 CHAARN CC12C[C@@H](CO)C(C)(c3ccccc31)c1ccccc12 ZINC000004237735 567856327 /nfs/dbraw/zinc/85/63/27/567856327.db2.gz RPFVNPBEXJXBTJ-MDAWKPQNSA-N 0 0 264.368 3.624 50 0 CHAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nccc3N2)cc1 ZINC000004291317 567856770 /nfs/dbraw/zinc/85/67/70/567856770.db2.gz CVFFHRZXJOMAKL-VXGBXAGGSA-N 0 0 297.280 3.552 50 0 CHAARN CC[C@](O)(c1ccccc1)c1cc(Cl)ccc1N ZINC000004344190 567856954 /nfs/dbraw/zinc/85/69/54/567856954.db2.gz IAXHFKRPWPTGBO-HNNXBMFYSA-N 0 0 261.752 3.568 50 0 CHAARN CC(C)=CC(=O)NCCSCc1ccc(Cl)cc1 ZINC000004390593 567857338 /nfs/dbraw/zinc/85/73/38/567857338.db2.gz YQQYZJMHHOOIIR-UHFFFAOYSA-N 0 0 283.824 3.656 50 0 CHAARN O=C(NCCSCc1ccc(Cl)cc1)c1ccco1 ZINC000004390596 567857551 /nfs/dbraw/zinc/85/75/51/567857551.db2.gz ZLSVDRZOHUGDIR-UHFFFAOYSA-N 0 0 295.791 3.596 50 0 CHAARN CN(C)P(=NC(C)(C)CC(C)(C)C)(N(C)C)N(C)C ZINC000004521787 567857685 /nfs/dbraw/zinc/85/76/85/567857685.db2.gz DSCJCKAURXOQPX-UHFFFAOYSA-N 0 0 290.436 3.832 50 0 CHAARN CC(C)(C)c1ccc(C2=N/C(=C\c3ccco3)C(=O)O2)cc1 ZINC000004472036 567857718 /nfs/dbraw/zinc/85/77/18/567857718.db2.gz PAIBXWOFZBTRKG-PTNGSMBKSA-N 0 0 295.338 3.922 50 0 CHAARN Cc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004529120 567857858 /nfs/dbraw/zinc/85/78/58/567857858.db2.gz FYBMNYNCNOSAQX-UHFFFAOYSA-N 0 0 269.388 3.694 50 0 CHAARN CC(C)(C)c1ccc(CCC(=O)NCc2cccnc2)cc1 ZINC000010315359 567861542 /nfs/dbraw/zinc/86/15/42/567861542.db2.gz HMGFWBNMUCPEKI-UHFFFAOYSA-N 0 0 296.414 3.628 50 0 CHAARN O=C(CCc1ccccc1Cl)Nc1ccccc1 ZINC000010457518 567861776 /nfs/dbraw/zinc/86/17/76/567861776.db2.gz DRCJGGYPMCNWLZ-UHFFFAOYSA-N 0 0 259.736 3.911 50 0 CHAARN COc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1 ZINC000012138109 567862244 /nfs/dbraw/zinc/86/22/44/567862244.db2.gz IFWBSERHHCGPPJ-UHFFFAOYSA-N 0 0 285.343 3.735 50 0 CHAARN Cc1ccccc1NC(=O)c1cc2ccccc2c(=O)s1 ZINC000012274400 567862779 /nfs/dbraw/zinc/86/27/79/567862779.db2.gz PXEABSJUEWLHDR-UHFFFAOYSA-N 0 0 295.363 3.822 50 0 CHAARN C[C@@H](Oc1ccc2ccccc2c1)C(=O)NC(C)(C)C ZINC000012380545 567863166 /nfs/dbraw/zinc/86/31/66/567863166.db2.gz SRVXUSCZKVPPIT-GFCCVEGCSA-N 0 0 271.360 3.522 50 0 CHAARN COc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1 ZINC000012381438 567863226 /nfs/dbraw/zinc/86/32/26/567863226.db2.gz QYXPZIBNWKUIEJ-UHFFFAOYSA-N 0 0 263.381 3.640 50 0 biogenic CHAARN Cc1ccccc1OCc1ccc(C(=O)NCC(C)C)o1 ZINC000032610785 567863885 /nfs/dbraw/zinc/86/38/85/567863885.db2.gz HHXQFPWFTBOBFQ-UHFFFAOYSA-N 0 0 287.359 3.553 50 0 CHAARN Cc1noc(C)c1CSc1nnc(-c2ccoc2C)o1 ZINC000012797527 567863890 /nfs/dbraw/zinc/86/38/90/567863890.db2.gz AWOUZZZRQPCUKG-UHFFFAOYSA-N 0 0 291.332 3.535 50 0 CHAARN COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1Cl ZINC000012628513 567864081 /nfs/dbraw/zinc/86/40/81/567864081.db2.gz LGHXKHCPZHHURE-WQLSENKSSA-N 0 0 285.730 3.841 50 0 CHAARN COc1cc2ccccc2c(Br)c1OC ZINC000012957222 567864361 /nfs/dbraw/zinc/86/43/61/567864361.db2.gz XZZRGEPWNYCNGI-UHFFFAOYSA-N 0 0 267.122 3.620 50 0 CHAARN CCCc1ccc(NC(=O)c2cccc(OC)c2OC)cc1 ZINC000012977440 567864812 /nfs/dbraw/zinc/86/48/12/567864812.db2.gz OUUOLAXNXKSGMB-UHFFFAOYSA-N 0 0 299.370 3.909 50 0 CHAARN COc1ccc(-c2cc(-c3ccc(C)cc3)n[nH]2)c(O)c1 ZINC000013126403 567865073 /nfs/dbraw/zinc/86/50/73/567865073.db2.gz NFMLQXFBDLNCSP-UHFFFAOYSA-N 0 0 280.327 3.766 50 0 CHAARN Cc1cccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000013161650 567865131 /nfs/dbraw/zinc/86/51/31/567865131.db2.gz VBOFBZQRQAXTLI-UHFFFAOYSA-N 0 0 295.169 3.878 50 0 CHAARN C[C@H]1CCCC[C@H]1n1c(=S)[nH]nc1-c1cccnc1 ZINC000013142545 567865142 /nfs/dbraw/zinc/86/51/42/567865142.db2.gz PUJQPRBCIATNGV-CMPLNLGQSA-N 0 0 274.393 3.754 50 0 CHAARN CCc1nnc2c(Nc3ccccc3)nc3ccccc3n12 ZINC000004414185 567865321 /nfs/dbraw/zinc/86/53/21/567865321.db2.gz VOTISKIOSLPADK-UHFFFAOYSA-N 0 0 289.342 3.584 50 0 CHAARN CC[C@@H](C)N(C(=O)Nc1ccc2c(c1)OCO2)[C@@H](C)CC ZINC000013320103 567865467 /nfs/dbraw/zinc/86/54/67/567865467.db2.gz JSFFJQRYMRMXRN-TXEJJXNPSA-N 0 0 292.379 3.846 50 0 CHAARN O=C(Cc1ccccc1Cl)NC1CCCCCC1 ZINC000013325915 567865541 /nfs/dbraw/zinc/86/55/41/567865541.db2.gz UEBKEEMCRWGQSQ-UHFFFAOYSA-N 0 0 265.784 3.722 50 0 CHAARN CCc1ccc(C(=O)Nc2nc3c(s2)CCCC3)s1 ZINC000013331446 567865915 /nfs/dbraw/zinc/86/59/15/567865915.db2.gz ZFXWHXYMJQPWJS-UHFFFAOYSA-N 0 0 292.429 3.898 50 0 CHAARN Cc1nc(-c2cc(Cl)cc(Cl)c2)[n-]c(=O)c1Cl ZINC000013469341 567866248 /nfs/dbraw/zinc/86/62/48/567866248.db2.gz KNMIRHDMJBATCQ-UHFFFAOYSA-N 0 0 289.549 3.706 50 0 CHAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc2cc[nH]c2c1 ZINC000013624007 567866777 /nfs/dbraw/zinc/86/67/77/567866777.db2.gz AFMULSHFZJQNCP-CQSZACIVSA-N 0 0 292.382 3.919 50 0 CHAARN CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000013688970 567867133 /nfs/dbraw/zinc/86/71/33/567867133.db2.gz QLSZNBHZOJOTHO-CHWSQXEVSA-N 0 0 271.360 3.522 50 0 CHAARN O=C([O-])c1cccc(-c2ccc(C[NH2+]C3CCCC3)o2)c1 ZINC000013730315 567867455 /nfs/dbraw/zinc/86/74/55/567867455.db2.gz KZYGJGBQGZFOHH-UHFFFAOYSA-N 0 0 285.343 3.677 50 0 CHAARN CN(Cc1cccs1)C(=O)c1c[nH]c2ccccc21 ZINC000032736296 567867838 /nfs/dbraw/zinc/86/78/38/567867838.db2.gz NDEMMEJTTQLVHT-UHFFFAOYSA-N 0 0 270.357 3.502 50 0 CHAARN COc1cccc2c1O[C@H](C)N1N=C(c3ccccc3)C[C@H]21 ZINC000013811236 567867860 /nfs/dbraw/zinc/86/78/60/567867860.db2.gz RDVAKRDQKQGPIM-MLGOLLRUSA-N 0 0 294.354 3.585 50 0 CHAARN Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cn2)cc1C ZINC000032800752 567868474 /nfs/dbraw/zinc/86/84/74/567868474.db2.gz CEGVIWVTIIJCJS-UHFFFAOYSA-N 0 0 295.386 3.551 50 0 CHAARN O=C(Nc1cccc(Oc2cnccn2)c1)c1cccs1 ZINC000032817550 567868729 /nfs/dbraw/zinc/86/87/29/567868729.db2.gz VCDFWGQYXUBYES-UHFFFAOYSA-N 0 0 297.339 3.583 50 0 CHAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccoc1 ZINC000014189036 567868791 /nfs/dbraw/zinc/86/87/91/567868791.db2.gz KVYPFZJGBAHTFC-UHFFFAOYSA-N 0 0 287.649 3.787 50 0 CHAARN Cc1ccc(CCC(=O)Nc2nccs2)cc1Cl ZINC000014252829 567868830 /nfs/dbraw/zinc/86/88/30/567868830.db2.gz ZTOTWVMXPDPANP-UHFFFAOYSA-N 0 0 280.780 3.676 50 0 CHAARN O=C(CCOc1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000014665075 567869399 /nfs/dbraw/zinc/86/93/99/567869399.db2.gz JWFVREOWIIZQRN-UHFFFAOYSA-N 0 0 281.355 3.583 50 0 CHAARN O=C(Nc1ccccc1O)c1ccc2c(c1)CCCC2 ZINC000032855804 567869541 /nfs/dbraw/zinc/86/95/41/567869541.db2.gz QSOPGEAHWLNAMZ-UHFFFAOYSA-N 0 0 267.328 3.523 50 0 CHAARN Nc1cc(Br)ccc1OCc1ccccc1 ZINC000014630932 567869638 /nfs/dbraw/zinc/86/96/38/567869638.db2.gz IZHINVQVLJRNDV-UHFFFAOYSA-N 0 0 278.149 3.610 50 0 CHAARN Cc1cccc2c1NC(=O)[C@@H]2Cc1ccccc1C ZINC000015017408 567869732 /nfs/dbraw/zinc/86/97/32/567869732.db2.gz VPSPUQPELQNRIG-OAHLLOKOSA-N 0 0 251.329 3.582 50 0 CHAARN Ic1cc2ccccc2s1 ZINC000015043002 567870115 /nfs/dbraw/zinc/87/01/15/567870115.db2.gz XNCFWDHWACGQBN-UHFFFAOYSA-N 0 0 260.099 3.506 50 0 CHAARN O=C(CCc1ccco1)Nc1ccc(Cl)cc1F ZINC000015077594 567870422 /nfs/dbraw/zinc/87/04/22/567870422.db2.gz MNIVJLIQXGTGNO-UHFFFAOYSA-N 0 0 267.687 3.643 50 0 CHAARN Cc1ccc(O[C@H](C)C(=O)Nc2cccc(F)c2)cc1 ZINC000015330997 567870686 /nfs/dbraw/zinc/87/06/86/567870686.db2.gz CRAGZDOJUUXBLA-GFCCVEGCSA-N 0 0 273.307 3.540 50 0 CHAARN Clc1ccc(OCCn2ncc3ccccc32)cc1 ZINC000015413759 567870806 /nfs/dbraw/zinc/87/08/06/567870806.db2.gz WYFOFDDRXJEHRU-UHFFFAOYSA-N 0 0 272.735 3.769 50 0 CHAARN Cc1ccccc1C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000015520270 567870873 /nfs/dbraw/zinc/87/08/73/567870873.db2.gz IXRRFUYVZBCYEO-UHFFFAOYSA-N 0 0 294.358 3.573 50 0 CHAARN CCc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 ZINC000015657598 567870955 /nfs/dbraw/zinc/87/09/55/567870955.db2.gz WWMFFUXARDDMIE-CQSZACIVSA-N 0 0 283.371 3.963 50 0 CHAARN Cc1nc2ccccc2n1C[C@H](O)c1ccc(Cl)cc1 ZINC000015554697 567871070 /nfs/dbraw/zinc/87/10/70/567871070.db2.gz GCTHKGNOFWEDRP-INIZCTEOSA-N 0 0 286.762 3.732 50 0 CHAARN Cc1ccc(F)c(NC(=O)c2cc(F)cc(F)c2)c1 ZINC000015572136 567871213 /nfs/dbraw/zinc/87/12/13/567871213.db2.gz PLDHRDWIDBCGHP-UHFFFAOYSA-N 0 0 265.234 3.665 50 0 CHAARN Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000015837996 567871388 /nfs/dbraw/zinc/87/13/88/567871388.db2.gz VTHZHBZLWDOTNF-OAHLLOKOSA-N 0 0 284.359 3.635 50 0 CHAARN CSc1ccc(C)c(C(=O)NC2CCCCC2)c1 ZINC000032906293 567871449 /nfs/dbraw/zinc/87/14/49/567871449.db2.gz PEGMUDVQJTYABO-UHFFFAOYSA-N 0 0 263.406 3.779 50 0 CHAARN O=C(CCc1ccc(-c2ccccc2)o1)N1CCCC1 ZINC000015867452 567871479 /nfs/dbraw/zinc/87/14/79/567871479.db2.gz QEPVEKKTYUNYMG-UHFFFAOYSA-N 0 0 269.344 3.502 50 0 CHAARN Cc1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c(C)c1 ZINC000016031323 567871732 /nfs/dbraw/zinc/87/17/32/567871732.db2.gz AALQDHMAEFOMPZ-INIZCTEOSA-N 0 0 295.338 3.544 50 0 CHAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000016035505 567871947 /nfs/dbraw/zinc/87/19/47/567871947.db2.gz OSFKVFNXNTVZMW-PHIMTYICSA-N 0 0 285.309 3.824 50 0 CHAARN COc1cc(C)c(NC(=O)CCC2CCCC2)cc1OC ZINC000015948881 567871956 /nfs/dbraw/zinc/87/19/56/567871956.db2.gz MMVSWTIDMSGQPH-UHFFFAOYSA-N 0 0 291.391 3.921 50 0 CHAARN COCCCCC(=O)c1ccc(C(F)(F)F)cc1 ZINC000016158744 567872306 /nfs/dbraw/zinc/87/23/06/567872306.db2.gz VYKSRLDHXQURKA-UHFFFAOYSA-N 0 0 260.255 3.705 50 0 in-vitro CHAARN COc1cccc(NC(=O)c2cc(C)nc3ccccc32)c1 ZINC000016505304 567872821 /nfs/dbraw/zinc/87/28/21/567872821.db2.gz AROMOLHTIGGESY-UHFFFAOYSA-N 0 0 292.338 3.804 50 0 CHAARN Cc1ccc(NS(=O)(=O)Cc2ccccc2C)c(C)c1 ZINC000016577251 567872998 /nfs/dbraw/zinc/87/29/98/567872998.db2.gz PMZAHJYCTJUBFP-UHFFFAOYSA-N 0 0 289.400 3.554 50 0 CHAARN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)s1 ZINC000016603348 567873225 /nfs/dbraw/zinc/87/32/25/567873225.db2.gz VIGKFXTZHRJWPF-UHFFFAOYSA-N 0 0 264.350 3.594 50 0 CHAARN Cc1cccc(CS(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000016578993 567873227 /nfs/dbraw/zinc/87/32/27/567873227.db2.gz ORQCXSUIPRKNRR-UHFFFAOYSA-N 0 0 289.400 3.554 50 0 CHAARN CCOCCn1c(Cc2ccccc2)nc2ccccc21 ZINC000016805051 567873765 /nfs/dbraw/zinc/87/37/65/567873765.db2.gz JTHFHJFBWQMYTL-UHFFFAOYSA-N 0 0 280.371 3.664 50 0 CHAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccco1 ZINC000017015086 567874469 /nfs/dbraw/zinc/87/44/69/567874469.db2.gz LFYIENTVDJWWGZ-UHFFFAOYSA-N 0 0 270.313 3.655 50 0 CHAARN COc1ccc(C)cc1NC(=O)/C=C\c1ccccc1 ZINC000017023834 567874582 /nfs/dbraw/zinc/87/45/82/567874582.db2.gz BDRJAEBSLQKKKV-LUAWRHEFSA-N 0 0 267.328 3.656 50 0 CHAARN CC(C)CNC(=O)c1ccccc1Nc1ccccc1 ZINC000017127623 567874917 /nfs/dbraw/zinc/87/49/17/567874917.db2.gz JQGUGOVLPCTOHX-UHFFFAOYSA-N 0 0 268.360 3.816 50 0 CHAARN CCc1ccc(CNC(=O)c2cc(C)sc2C)s1 ZINC000032930299 567875221 /nfs/dbraw/zinc/87/52/21/567875221.db2.gz YWKURORRHOJVGF-UHFFFAOYSA-N 0 0 279.430 3.919 50 0 CHAARN CSc1ccccc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000018030062 567876002 /nfs/dbraw/zinc/87/60/02/567876002.db2.gz AQYPOSGPWYLDQA-TXEJJXNPSA-N 0 0 263.406 3.812 50 0 CHAARN COc1cc(SC)ccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000018137048 567876521 /nfs/dbraw/zinc/87/65/21/567876521.db2.gz HKTNTGVEXFUDOI-TXEJJXNPSA-N 0 0 293.432 3.535 50 0 CHAARN COc1ccc([C@@H](NC(=O)C[C@@H]2C=CCC2)C(C)C)cc1 ZINC000019310927 567877232 /nfs/dbraw/zinc/87/72/32/567877232.db2.gz GBMUXDNENCLCQG-KDOFPFPSSA-N 0 0 287.403 3.865 50 0 CHAARN CCOc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000019407533 567878089 /nfs/dbraw/zinc/87/80/89/567878089.db2.gz ODROSXJGICEINC-UHFFFAOYSA-N 0 0 290.750 3.573 50 0 CHAARN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1N ZINC000019391248 567878231 /nfs/dbraw/zinc/87/82/31/567878231.db2.gz GRJIABFMPQBAKK-UHFFFAOYSA-N 0 0 294.276 3.848 50 0 CHAARN C[C@@H]1CCC[C@H](C)N1NC(=O)Nc1cccc2cnccc21 ZINC000043168382 567878323 /nfs/dbraw/zinc/87/83/23/567878323.db2.gz DLABHSXYEFDIIR-BETUJISGSA-N 0 0 298.390 3.534 50 0 CHAARN Cc1cc(N)ccc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000019736351 567878471 /nfs/dbraw/zinc/87/84/71/567878471.db2.gz FVLVTSVJAMPHQK-UHFFFAOYSA-N 0 0 298.386 3.718 50 0 CHAARN CCn1c(=S)[nH]nc1-c1csc2c1CCCCC2 ZINC000019737338 567878493 /nfs/dbraw/zinc/87/84/93/567878493.db2.gz FJICFWKVWQVMST-UHFFFAOYSA-N 0 0 279.434 3.958 50 0 CHAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1O ZINC000019838571 567879091 /nfs/dbraw/zinc/87/90/91/567879091.db2.gz FTUBVPDEKVSHHN-UHFFFAOYSA-N 0 0 297.232 3.543 50 0 CHAARN CC[C@@]12CCCN3CCc4c5ccccc5n(c4[C@@H]31)C(=O)C2 ZINC000019796061 567879372 /nfs/dbraw/zinc/87/93/72/567879372.db2.gz WYJAPUKIYAZSEM-MOPGFXCFSA-N 0 0 294.398 3.775 50 0 biogenic,in-man CHAARN Cc1cnc(N2C(=O)[C@H](C)S[C@H]2c2ccccc2)s1 ZINC000019927538 567880217 /nfs/dbraw/zinc/88/02/17/567880217.db2.gz WAVLUZKYVMGPIR-GWCFXTLKSA-N 0 0 290.413 3.619 50 0 CHAARN CC(C)CNc1ncc(C(F)(F)F)cc1Cl ZINC000020008057 567880351 /nfs/dbraw/zinc/88/03/51/567880351.db2.gz XAJJVOMNCQBPMJ-UHFFFAOYSA-N 0 0 252.667 3.822 50 0 CHAARN O=C(Oc1ccc(Cl)cc1)c1cccnc1Cl ZINC000020032057 567880390 /nfs/dbraw/zinc/88/03/90/567880390.db2.gz PICGLWYZZFKYOR-UHFFFAOYSA-N 0 0 268.099 3.608 50 0 CHAARN O=C(c1cccnc1Oc1ccccc1)N1CCCCC1 ZINC000020031167 567880492 /nfs/dbraw/zinc/88/04/92/567880492.db2.gz VOEBKLJUGUXYGQ-UHFFFAOYSA-N 0 0 282.343 3.500 50 0 CHAARN Cc1cc(SCC(=O)c2ccccc2)nc(C(C)C)n1 ZINC000020120564 567880739 /nfs/dbraw/zinc/88/07/39/567880739.db2.gz ZVPLVFOOGKUUNP-UHFFFAOYSA-N 0 0 286.400 3.883 50 0 CHAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1F ZINC000005735888 567881232 /nfs/dbraw/zinc/88/12/32/567881232.db2.gz ZMBOHDXJNWYDSR-INIZCTEOSA-N 0 0 284.334 3.802 50 0 CHAARN CCOC(=O)c1c(C)nn(-c2ccc(C(C)C)cc2)c1C ZINC000022996489 567881641 /nfs/dbraw/zinc/88/16/41/567881641.db2.gz LOWLHHRWBATHLM-UHFFFAOYSA-N 0 0 286.375 3.789 50 0 CHAARN O=C(C[C@H]1C=CCC1)NCC1(c2ccccc2)CCCC1 ZINC000022839096 567881689 /nfs/dbraw/zinc/88/16/89/567881689.db2.gz SODVGAAMAQJQRF-INIZCTEOSA-N 0 0 283.415 3.971 50 0 CHAARN O=C(CCc1ccccc1O)Nc1cccc2c1CCCC2 ZINC000022879993 567881710 /nfs/dbraw/zinc/88/17/10/567881710.db2.gz AXTAFHCHJPVFMU-UHFFFAOYSA-N 0 0 295.382 3.842 50 0 CHAARN Cc1cc(C)cc(COC(=O)c2ccc3nccnc3c2)c1 ZINC000023475192 567882019 /nfs/dbraw/zinc/88/20/19/567882019.db2.gz ZKKNXPDSHHLHCS-UHFFFAOYSA-N 0 0 292.338 3.604 50 0 CHAARN COc1ccc(C(=O)Nc2cccc3cccnc32)cc1F ZINC000010913050 567882121 /nfs/dbraw/zinc/88/21/21/567882121.db2.gz ATCHKJFVIKUGNA-UHFFFAOYSA-N 0 0 296.301 3.635 50 0 CHAARN CC(C)[C@H](NC(=O)Cc1cccs1)c1cccs1 ZINC000024316719 567882317 /nfs/dbraw/zinc/88/23/17/567882317.db2.gz WLIRAJFVVSAVAZ-AWEZNQCLSA-N 0 0 279.430 3.866 50 0 CHAARN Cc1cc2ncn(-c3ncnc4ccccc43)c2cc1C ZINC000024340391 567882449 /nfs/dbraw/zinc/88/24/49/567882449.db2.gz MXYHXBYVFHVSQT-UHFFFAOYSA-N 0 0 274.327 3.586 50 0 CHAARN CCc1ccccc1NC(=O)CCNc1ccccc1 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LAMSYKPRLCFTTC-ZDUSSCGKSA-N 0 0 298.390 3.531 50 0 CHAARN Cc1nc(CN[C@@H](C)c2cc3cc(Cl)ccc3o2)no1 ZINC000097112287 567904645 /nfs/dbraw/zinc/90/46/45/567904645.db2.gz CESONMLCMNEFRV-QMMMGPOBSA-N 0 0 291.738 3.628 50 0 CHAARN CCc1nc([C@@H](C)NCc2ncc(C(C)(C)C)o2)cs1 ZINC000097112258 567904709 /nfs/dbraw/zinc/90/47/09/567904709.db2.gz OHDLQAAMBGTWJP-SNVBAGLBSA-N 0 0 293.436 3.842 50 0 CHAARN C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccco1 ZINC000335868919 567904790 /nfs/dbraw/zinc/90/47/90/567904790.db2.gz MXRSENLXMTZHEX-DZGCQCFKSA-N 0 0 269.344 3.688 50 0 CHAARN COc1ccnc(CSCc2nc(C)c(C)s2)c1 ZINC000097161792 567905322 /nfs/dbraw/zinc/90/53/22/567905322.db2.gz YYYBPQXWYHMPNR-UHFFFAOYSA-N 0 0 280.418 3.597 50 0 CHAARN Cc1ccc2nc(-c3ccccc3Cl)oc(=O)c2c1 ZINC000000041647 567905444 /nfs/dbraw/zinc/90/54/44/567905444.db2.gz KTOJKHZQKYXQDO-UHFFFAOYSA-N 0 0 271.703 3.817 50 0 CHAARN Cc1ccc([C@@H](C)N(C)C(=O)Cc2ccc(O)cc2)s1 ZINC000097227828 567905883 /nfs/dbraw/zinc/90/58/83/567905883.db2.gz RFFQPWLXVHSNLG-GFCCVEGCSA-N 0 0 289.400 3.524 50 0 CHAARN COC(=O)c1cccc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000085210122 567907233 /nfs/dbraw/zinc/90/72/33/567907233.db2.gz OALFBMVBWDYQDN-UHFFFAOYSA-N 0 0 282.126 3.842 50 0 CHAARN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)C(C)C ZINC000009064338 567907943 /nfs/dbraw/zinc/90/79/43/567907943.db2.gz KZGBGSBLZQIKMD-UHFFFAOYSA-N 0 0 295.342 3.793 50 0 CHAARN CC[C@@H](C(=O)Nc1ccccc1)N(C)Cc1ccsc1 ZINC000011438427 567908594 /nfs/dbraw/zinc/90/85/94/567908594.db2.gz VQPSUFZWEQJEHC-HNNXBMFYSA-N 0 0 288.416 3.597 50 0 CHAARN C[C@@H]1CN=C(Nc2ccc(OC(F)(F)Cl)cc2)S1 ZINC000000089643 567908740 /nfs/dbraw/zinc/90/87/40/567908740.db2.gz YAZHGLWPZPDNGA-SSDOTTSWSA-N 0 0 292.738 3.758 50 0 CHAARN CCc1ccccc1N[C@H]1OC(=O)c2ccccc21 ZINC000000091705 567908807 /nfs/dbraw/zinc/90/88/07/567908807.db2.gz VDQZLARXLUFPKI-HNNXBMFYSA-N 0 0 253.301 3.530 50 0 CHAARN CCCCOc1cc(Br)c(Cl)cc1N ZINC000095494777 567909510 /nfs/dbraw/zinc/90/95/10/567909510.db2.gz XVWMMAKMNRMPRO-UHFFFAOYSA-N 0 0 278.577 3.864 50 0 CHAARN CN(C)C(=O)c1cccc(/C=C/C2CCCCC2)c1 ZINC000096164034 567909954 /nfs/dbraw/zinc/90/99/54/567909954.db2.gz XZVLZIOUHLSQII-VAWYXSNFSA-N 0 0 257.377 3.982 50 0 CHAARN CC(=O)Oc1ccc2occ(C(=O)c3ccc(F)cc3)c2c1 ZINC000000097657 567910247 /nfs/dbraw/zinc/91/02/47/567910247.db2.gz QYJOYZGGJALODU-UHFFFAOYSA-N 0 0 298.269 3.728 50 0 CHAARN COC(=O)c1ccc(-c2cc(F)cc(F)c2)c(F)c1 ZINC000097757206 567910968 /nfs/dbraw/zinc/91/09/68/567910968.db2.gz XWXCOAVEEULQES-UHFFFAOYSA-N 0 0 266.218 3.558 50 0 CHAARN CCOc1ccc(-c2nnc(OC)c3ccccc32)cc1 ZINC000000098769 567910579 /nfs/dbraw/zinc/91/05/79/567910579.db2.gz FADNXRJDVQDHAA-UHFFFAOYSA-N 0 0 280.327 3.704 50 0 CHAARN C[C@@H](O)c1cccc(-c2ccccc2OC(F)(F)F)n1 ZINC000097756360 567910920 /nfs/dbraw/zinc/91/09/20/567910920.db2.gz HJTKAEIRTTUGHE-SECBINFHSA-N 0 0 283.249 3.701 50 0 CHAARN O=C1OC(c2ccccc2)=NC1=CNc1cccc(Cl)c1 ZINC000100528556 567913423 /nfs/dbraw/zinc/91/34/23/567913423.db2.gz JGVCUYXKMFQFHT-UVTDQMKNSA-N 0 0 298.729 3.597 50 0 CHAARN C[C@@H]1CC[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2C1 ZINC000100580382 567913516 /nfs/dbraw/zinc/91/35/16/567913516.db2.gz NTOILMVFBNUTNC-DAXOMENPSA-N 0 0 293.366 3.765 50 0 CHAARN Cc1ccsc1C[C@@H]1C(=O)Nc2ccc(C)cc21 ZINC000101016346 567914461 /nfs/dbraw/zinc/91/44/61/567914461.db2.gz WQYQPENQGOXKLG-LBPRGKRZSA-N 0 0 257.358 3.643 50 0 CHAARN COc1ccc(Cl)cc1C[C@@H]1C(=O)Nc2ccccc21 ZINC000101014637 567914509 /nfs/dbraw/zinc/91/45/09/567914509.db2.gz OTXYFXMFWADZGW-ZDUSSCGKSA-N 0 0 287.746 3.627 50 0 CHAARN CSc1ccc(C[C@H]2c3ccccc3NC2=O)cc1 ZINC000101016367 567914550 /nfs/dbraw/zinc/91/45/50/567914550.db2.gz WJMOMHOORXKOTC-AWEZNQCLSA-N 0 0 269.369 3.687 50 0 CHAARN Cc1cccc(C[C@H]2c3cccc(C)c3NC2=O)c1 ZINC000101016270 567914586 /nfs/dbraw/zinc/91/45/86/567914586.db2.gz FJOPWPDDIWGBRX-HNNXBMFYSA-N 0 0 251.329 3.582 50 0 CHAARN O=C1C[C@@H]2Sc3ccccc3N=C2N1c1ccccc1 ZINC000101115106 567914705 /nfs/dbraw/zinc/91/47/05/567914705.db2.gz FXDKDNVHQMJYBK-AWEZNQCLSA-N 0 0 280.352 3.628 50 0 CHAARN c1coc(-c2nc(CN3CCOc4ccccc43)cs2)c1 ZINC000060857024 567914924 /nfs/dbraw/zinc/91/49/24/567914924.db2.gz PAMJTAIVLUVJBZ-UHFFFAOYSA-N 0 0 298.367 3.802 50 0 CHAARN O=C1O[C@H](Nc2ccccc2Cl)c2ccccc21 ZINC000000100153 567915114 /nfs/dbraw/zinc/91/51/14/567915114.db2.gz UHUVPNDWWLXSCC-ZDUSSCGKSA-N 0 0 259.692 3.621 50 0 CHAARN CC[C@@H]1CC[C@@H](C)N1c1ccc(Br)cn1 ZINC000095458743 567915224 /nfs/dbraw/zinc/91/52/24/567915224.db2.gz FVKRWELDIAYQFM-MWLCHTKSSA-N 0 0 269.186 3.611 50 0 CHAARN O=c1[nH]c2ccc(-c3csc(-c4ccsc4)n3)cc2[nH]1 ZINC000014170173 567915604 /nfs/dbraw/zinc/91/56/04/567915604.db2.gz WNNPOHMOKKSUKE-UHFFFAOYSA-N 0 0 299.380 3.708 50 0 CHAARN CO[C@H](C)C(=O)N([C@@H](C)c1ccccc1)C1CCCC1 ZINC000328595375 567923035 /nfs/dbraw/zinc/92/30/35/567923035.db2.gz SOVVWABKADNPLR-UONOGXRCSA-N 0 0 275.392 3.554 50 0 CHAARN CO[C@@H](C)C(=O)N([C@@H](C)c1ccccc1)C1CCCC1 ZINC000328595373 567923037 /nfs/dbraw/zinc/92/30/37/567923037.db2.gz SOVVWABKADNPLR-KBPBESRZSA-N 0 0 275.392 3.554 50 0 CHAARN CC1(C)Cc2ccccc2C(C(=O)c2ccccc2)=N1 ZINC000000121497 567923205 /nfs/dbraw/zinc/92/32/05/567923205.db2.gz AFZNXKGYUBSKPV-UHFFFAOYSA-N 0 0 263.340 3.693 50 0 CHAARN CCC1(CC)C(=O)C(C)(C)C(=O)O[C@H]1c1cccs1 ZINC000000112003 567923252 /nfs/dbraw/zinc/92/32/52/567923252.db2.gz MWUSPJXCZHQICY-NSHDSACASA-N 0 0 280.389 3.748 50 0 CHAARN CCOC(=O)c1sc2sc(C(C)=O)c(C)c2c1C ZINC000000125615 567923691 /nfs/dbraw/zinc/92/36/91/567923691.db2.gz VCCRNZJWNILVMV-UHFFFAOYSA-N 0 0 282.386 3.959 50 0 CHAARN CC(C)c1ccc([C@H](O)Cc2nc3ccccc3n2C)cc1 ZINC000000170110 567924388 /nfs/dbraw/zinc/92/43/88/567924388.db2.gz GLYNSEYXIIEMFQ-GOSISDBHSA-N 0 0 294.398 3.973 50 0 CHAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1 ZINC000000191037 567925208 /nfs/dbraw/zinc/92/52/08/567925208.db2.gz KKNAGWFXTJSISY-UHFFFAOYSA-N 0 0 279.261 3.887 50 0 CHAARN C[C@H]1Cc2cc(C(=O)c3ccccc3Cl)ccc2O1 ZINC000000243935 567925492 /nfs/dbraw/zinc/92/54/92/567925492.db2.gz KTCIOYSMRWVCAA-JTQLQIEISA-N 0 0 272.731 3.894 50 0 CHAARN C[C@H](CCc1ccccc1)Nc1nc(Cl)nc(Cl)n1 ZINC000000246982 567925527 /nfs/dbraw/zinc/92/55/27/567925527.db2.gz WUFDCNKXMJXAKY-SECBINFHSA-N 0 0 297.189 3.612 50 0 CHAARN COc1ccc(/C=C/C(=O)Nc2ccccc2C)cc1 ZINC000000258761 567925699 /nfs/dbraw/zinc/92/56/99/567925699.db2.gz ASVPUMNRQNWONV-FMIVXFBMSA-N 0 0 267.328 3.656 50 0 biogenic CHAARN C[C@@]12CCO[C@@H]1N(Cc1ccccc1)c1ccccc12 ZINC000000264455 567925709 /nfs/dbraw/zinc/92/57/09/567925709.db2.gz NCMVPGABXJTSGZ-ROUUACIJSA-N 0 0 265.356 3.711 50 0 biogenic CHAARN Cc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C ZINC000000251906 567925925 /nfs/dbraw/zinc/92/59/25/567925925.db2.gz RAGZXZOCQQDFHR-UHFFFAOYSA-N 0 0 264.712 3.506 50 0 CHAARN CCc1c(C)c2ccc(OCC(C)C)cc2oc1=O ZINC000000268625 567926095 /nfs/dbraw/zinc/92/60/95/567926095.db2.gz XWLRGAAMQJCLEA-UHFFFAOYSA-N 0 0 260.333 3.699 50 0 CHAARN CCc1nc(C)c(C(=O)NC(C)(C)c2ccccc2)s1 ZINC000050354438 567926147 /nfs/dbraw/zinc/92/61/47/567926147.db2.gz KIHXLGCAKCNCSB-UHFFFAOYSA-N 0 0 288.416 3.679 50 0 CHAARN Fc1c2cnn(-c3ccccc3)c2c(F)c(F)c1F ZINC000000275533 567926220 /nfs/dbraw/zinc/92/62/20/567926220.db2.gz JOIYWSBTZXSNTD-UHFFFAOYSA-N 0 0 266.197 3.582 50 0 CHAARN Cc1cc(C)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000000313185 567926630 /nfs/dbraw/zinc/92/66/30/567926630.db2.gz QXVKAVDRZZFQTE-UHFFFAOYSA-N 0 0 273.336 3.752 50 0 CHAARN CC(=O)N1CCc2sccc2[C@H]1c1ccccc1C ZINC000000319389 567926673 /nfs/dbraw/zinc/92/66/73/567926673.db2.gz NXTNJXHQVUUPRF-MRXNPFEDSA-N 0 0 271.385 3.551 50 0 CHAARN CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000000324997 567926909 /nfs/dbraw/zinc/92/69/09/567926909.db2.gz HOBWTDDVUCBMFK-QGZVFWFLSA-N 0 0 278.355 3.774 50 0 CHAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC(C)(C)C ZINC000061037267 567927225 /nfs/dbraw/zinc/92/72/25/567927225.db2.gz KUSIRWFOMUQZRN-UHFFFAOYSA-N 0 0 292.379 3.786 50 0 CHAARN O=C1SC(=CNc2ccccc2)c2ccccc21 ZINC000100438955 567927419 /nfs/dbraw/zinc/92/74/19/567927419.db2.gz NAOMXUCWNFNABK-UVTDQMKNSA-N 0 0 253.326 3.984 50 0 CHAARN Cc1nc(C)c(-c2csc(C3(Br)CC3)n2)o1 ZINC000408523645 567927527 /nfs/dbraw/zinc/92/75/27/567927527.db2.gz LYTIYRWLBPMSQS-UHFFFAOYSA-N 0 0 299.193 3.799 50 0 CHAARN COC(=O)c1ccccc1-c1nc2cc(C)c(C)cc2[nH]1 ZINC000033559212 567927605 /nfs/dbraw/zinc/92/76/05/567927605.db2.gz YKRQGBARUBSBPK-UHFFFAOYSA-N 0 0 280.327 3.633 50 0 CHAARN C[C@@H]1CCCCN1C(=O)Nc1ccc(Br)cc1 ZINC000033620912 567928026 /nfs/dbraw/zinc/92/80/26/567928026.db2.gz QZPQBTXQTXTSRH-SNVBAGLBSA-N 0 0 297.196 3.855 50 0 CHAARN CCN(CC)C(=O)c1ccc(-c2cccs2)nc1C ZINC000073325923 567928582 /nfs/dbraw/zinc/92/85/82/567928582.db2.gz YHMLFOCFHAKINM-UHFFFAOYSA-N 0 0 274.389 3.601 50 0 CHAARN CC(C)Oc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000011865628 567928596 /nfs/dbraw/zinc/92/85/96/567928596.db2.gz NLWLYTJIXINFTF-UHFFFAOYSA-N 0 0 296.322 3.953 50 0 biogenic CHAARN CCCC(=O)Nc1nc(-c2ccccc2OC)cs1 ZINC000011990496 567928781 /nfs/dbraw/zinc/92/87/81/567928781.db2.gz DRZDIEFYTYASBM-UHFFFAOYSA-N 0 0 276.361 3.557 50 0 CHAARN O=C(Nc1cccnc1Cl)c1cccc(-n2cccc2)c1 ZINC000073474497 567928953 /nfs/dbraw/zinc/92/89/53/567928953.db2.gz AKILYJPRTZDERC-UHFFFAOYSA-N 0 0 297.745 3.778 50 0 CHAARN Cc1ccc(NCC(=O)c2ccc(Cl)cc2)cc1 ZINC000000405242 567929794 /nfs/dbraw/zinc/92/97/94/567929794.db2.gz QXEGUBMETSTTSB-UHFFFAOYSA-N 0 0 259.736 3.943 50 0 CHAARN CCOC(=O)CSc1nc2cc(C)ccc2cc1C ZINC000000421029 567930100 /nfs/dbraw/zinc/93/01/00/567930100.db2.gz XRAQZSZKDDKQRQ-UHFFFAOYSA-N 0 0 275.373 3.507 50 0 CHAARN CC(=O)c1sc2nc3ccc(C)cc3cc2c1N ZINC000000422159 567930397 /nfs/dbraw/zinc/93/03/97/567930397.db2.gz GGTRQNMBFZUYBW-UHFFFAOYSA-N 0 0 256.330 3.543 50 0 CHAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccccc2F)cc1 ZINC000000423795 567930510 /nfs/dbraw/zinc/93/05/10/567930510.db2.gz LTTKPPTWQACLCP-INIZCTEOSA-N 0 0 287.359 3.913 50 0 CHAARN CC(C)c1ccc(/C=C2\N=C(c3ccco3)OC2=O)cc1 ZINC000000430256 567930726 /nfs/dbraw/zinc/93/07/26/567930726.db2.gz WSQPSNOZDUCRBG-UVTDQMKNSA-N 0 0 281.311 3.748 50 0 CHAARN O=C(OC1CCCC1)c1csc(-c2ccco2)n1 ZINC000073957388 567931253 /nfs/dbraw/zinc/93/12/53/567931253.db2.gz KIKDNBWLZPZJOP-UHFFFAOYSA-N 0 0 263.318 3.503 50 0 CHAARN C[C@H](NC(=O)C1(c2ccccc2F)CC1)c1ccccc1 ZINC000062074935 567931687 /nfs/dbraw/zinc/93/16/87/567931687.db2.gz FEINRXDSFFFCGJ-ZDUSSCGKSA-N 0 0 283.346 3.735 50 0 CHAARN COc1ccc2c(c1)OC(c1ccccc1)=C(OC)C2 ZINC000001013236 567931926 /nfs/dbraw/zinc/93/19/26/567931926.db2.gz HUZDIFUIKRSNCW-UHFFFAOYSA-N 0 0 268.312 3.645 50 0 CHAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccccn1 ZINC000003552078 567932308 /nfs/dbraw/zinc/93/23/08/567932308.db2.gz HYXIBGTTZJDXOQ-UHFFFAOYSA-N 0 0 284.359 3.640 50 0 CHAARN C[C@@H](NC(=O)CCC(=O)c1cccs1)c1ccccc1 ZINC000003598096 567932360 /nfs/dbraw/zinc/93/23/60/567932360.db2.gz XAZABFAYRUEUHH-GFCCVEGCSA-N 0 0 287.384 3.588 50 0 CHAARN CC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000003607826 567932425 /nfs/dbraw/zinc/93/24/25/567932425.db2.gz UXARRBIPDWUSKJ-UHFFFAOYSA-N 0 0 297.354 3.524 50 0 CHAARN CC/C=C(/C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000062581157 567932803 /nfs/dbraw/zinc/93/28/03/567932803.db2.gz QVNNVPNURGLFPZ-RDOCRHDPSA-N 0 0 257.786 3.935 50 0 CHAARN Cc1cc(C(=O)N[C@H](C)c2ccc(C)cc2)c(C)o1 ZINC000000476260 567935158 /nfs/dbraw/zinc/93/51/58/567935158.db2.gz FBPAXWNTVGOTLM-GFCCVEGCSA-N 0 0 257.333 3.696 50 0 CHAARN Cc1cccc(OCC(=O)Nc2cccc(Cl)c2)c1C ZINC000000122257 567935292 /nfs/dbraw/zinc/93/52/92/567935292.db2.gz MDNKSSUDITZUEP-UHFFFAOYSA-N 0 0 289.762 3.974 50 0 CHAARN CCOC(=O)[C@@H](Nc1cccc(F)c1)c1ccccc1 ZINC000000194214 567935419 /nfs/dbraw/zinc/93/54/19/567935419.db2.gz KHKRXSXTKPPCSI-HNNXBMFYSA-N 0 0 273.307 3.542 50 0 CHAARN Cc1nc2ccccn2c1C(=O)Nc1cccc(Cl)c1 ZINC000000217180 567935619 /nfs/dbraw/zinc/93/56/19/567935619.db2.gz JQVZLECCGFPZKW-UHFFFAOYSA-N 0 0 285.734 3.548 50 0 CHAARN O=C(Nc1cccc2cccnc21)c1ccccc1F ZINC000000362770 567935831 /nfs/dbraw/zinc/93/58/31/567935831.db2.gz GVEFCZFPNNBIKL-UHFFFAOYSA-N 0 0 266.275 3.626 50 0 CHAARN Cc1cc(F)ccc1NCc1ccc2c(c1)OCCO2 ZINC000000267285 567935967 /nfs/dbraw/zinc/93/59/67/567935967.db2.gz HWKQYLCDVXOVNY-UHFFFAOYSA-N 0 0 273.307 3.517 50 0 CHAARN CCc1nc2ccccc2n1CCOc1ccccc1 ZINC000000291644 567936032 /nfs/dbraw/zinc/93/60/32/567936032.db2.gz SSGRTKNGAZQCBN-UHFFFAOYSA-N 0 0 266.344 3.678 50 0 CHAARN CC(C)(C)OC(=O)Nc1ccncc1C(=O)c1ccccc1 ZINC000000482084 567936129 /nfs/dbraw/zinc/93/61/29/567936129.db2.gz GVXHORLRORKSRV-UHFFFAOYSA-N 0 0 298.342 3.660 50 0 CHAARN CC(C)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000000441593 567936346 /nfs/dbraw/zinc/93/63/46/567936346.db2.gz DULSNKHCEDZQPN-UHFFFAOYSA-N 0 0 293.363 3.750 50 0 CHAARN COc1cc(C=O)ccc1OCCSc1ccccc1 ZINC000002866721 567937858 /nfs/dbraw/zinc/93/78/58/567937858.db2.gz KYWCQJJYLRDYOP-UHFFFAOYSA-N 0 0 288.368 3.679 50 0 CHAARN COc1cc2c(cc1NC(=O)CC(C)=O)oc1ccccc12 ZINC000004320876 567938301 /nfs/dbraw/zinc/93/83/01/567938301.db2.gz KOXOODSAHQGGLW-UHFFFAOYSA-N 0 0 297.310 3.512 50 0 CHAARN O=C(c1ccc(Cl)cc1)N1CCC(=O)c2ccccc21 ZINC000003148967 567938540 /nfs/dbraw/zinc/93/85/40/567938540.db2.gz BGWBXDYXDCHUQI-UHFFFAOYSA-N 0 0 285.730 3.573 50 0 CHAARN CC(C)=CCC[C@@]12CC[C@@](COC(C)=O)(CO1)[C@@H](C)C2 ZINC000000485593 567939268 /nfs/dbraw/zinc/93/92/68/567939268.db2.gz AXJOCLMFQAZKPU-UAGQMJEPSA-N 0 0 280.408 3.871 50 0 biogenic CHAARN CCOc1ccc([C@H](O)c2nc3ccccc3n2CC)cc1 ZINC000000502470 567940726 /nfs/dbraw/zinc/94/07/26/567940726.db2.gz DXZSNADZTIYAFE-KRWDZBQOSA-N 0 0 296.370 3.537 50 0 CHAARN CCc1nc2sc(C(C)=O)c(N)c2c2c1CCCC2 ZINC000000501279 567940736 /nfs/dbraw/zinc/94/07/36/567940736.db2.gz XCVLNDZQGFMOFX-UHFFFAOYSA-N 0 0 274.389 3.522 50 0 CHAARN Cc1noc2c1[C@@H](c1cccnc1)C1=C(CCCC1=O)N2 ZINC000102734227 567941914 /nfs/dbraw/zinc/94/19/14/567941914.db2.gz YHZJWKKBMWYNJF-CQSZACIVSA-N 0 0 281.315 3.592 50 0 CHAARN Cc1cc2c3c(c1)c(=O)c(-c1ccccc1)c(O)n3CCC2 ZINC000000519579 567942227 /nfs/dbraw/zinc/94/22/27/567942227.db2.gz QRJRZVZMGWTOHP-UHFFFAOYSA-N 0 0 291.350 3.629 50 0 biogenic CHAARN Cc1cccc2[nH]c3c(ncnc3N3CCC(C)CC3)c21 ZINC000000538298 567942655 /nfs/dbraw/zinc/94/26/55/567942655.db2.gz BRFQLOKZOZEGMQ-UHFFFAOYSA-N 0 0 280.375 3.656 50 0 CHAARN O=C(OCc1c(Cl)cccc1Cl)c1ccccn1 ZINC000000541069 567942830 /nfs/dbraw/zinc/94/28/30/567942830.db2.gz HBNFEJRXXAQZHY-UHFFFAOYSA-N 0 0 282.126 3.745 50 0 CHAARN Cc1nc(NC(=O)c2ccccc2O)sc1C(C)(C)C ZINC000000551476 567943106 /nfs/dbraw/zinc/94/31/06/567943106.db2.gz GAJGGJLQTFWSIO-UHFFFAOYSA-N 0 0 290.388 3.707 50 0 CHAARN COc1ccc2c(c1)c(C(C)=O)c(C)n2Cc1ccco1 ZINC000000550467 567943115 /nfs/dbraw/zinc/94/31/15/567943115.db2.gz UZDNCETXSLHMON-UHFFFAOYSA-N 0 0 283.327 3.802 50 0 CHAARN O=C(Nc1ccccc1OC(F)F)c1ccccc1F ZINC000000557788 567943164 /nfs/dbraw/zinc/94/31/64/567943164.db2.gz IIPJCLJLPAKQLD-UHFFFAOYSA-N 0 0 281.233 3.679 50 0 CHAARN O=C1Nc2cc(Cl)ccc2/C1=C\c1cccc(O)c1 ZINC000000573372 567943773 /nfs/dbraw/zinc/94/37/73/567943773.db2.gz OFAYMVYHZLLXRW-NTUHNPAUSA-N 0 0 271.703 3.538 50 0 CHAARN Fc1cc2nc3sc4c(n3c2cc1F)CCCC4 ZINC000005728817 567943881 /nfs/dbraw/zinc/94/38/81/567943881.db2.gz LERKPBDKWSFGBK-UHFFFAOYSA-N 0 0 264.300 3.706 50 0 CHAARN O=C(Nc1nc2c(s1)CCC2)c1ccc2c(c1)CCCC2 ZINC000015636668 567943915 /nfs/dbraw/zinc/94/39/15/567943915.db2.gz KCHBSUJWGGYBRD-UHFFFAOYSA-N 0 0 298.411 3.763 50 0 CHAARN Cc1cc(CN(C)C(=O)Nc2cccc3ccccc32)no1 ZINC000046885355 567945248 /nfs/dbraw/zinc/94/52/48/567945248.db2.gz BVBHHUFQFGVJBZ-UHFFFAOYSA-N 0 0 295.342 3.800 50 0 CHAARN c1ccc(CSc2nnc(C3CCCC3)[nH]2)cc1 ZINC000012103374 567945618 /nfs/dbraw/zinc/94/56/18/567945618.db2.gz UKZYNJAZIXUCEY-UHFFFAOYSA-N 0 0 259.378 3.755 50 0 CHAARN CCC(=O)Nc1ccc(Cl)c(NC(=O)N(CC)CC)c1 ZINC000048512494 567946564 /nfs/dbraw/zinc/94/65/64/567946564.db2.gz JSEBEFGOHYKFKG-UHFFFAOYSA-N 0 0 297.786 3.562 50 0 CHAARN COc1ccc(F)c(F)c1CN(C)[C@@H](C)c1ccncc1 ZINC000216437192 567947571 /nfs/dbraw/zinc/94/75/71/567947571.db2.gz GLDZBODHZPTWDR-NSHDSACASA-N 0 0 292.329 3.561 50 0 CHAARN Cc1cc2n(n1)[C@H](c1cccc(O)c1)Nc1c(C)cccc1-2 ZINC000000818121 567948281 /nfs/dbraw/zinc/94/82/81/567948281.db2.gz OKYVXGTZPHTRPK-GOSISDBHSA-N 0 0 291.354 3.845 50 0 CHAARN CCn1c(C)nc2cc(C(=O)N(C)c3ccccc3)ccc21 ZINC000000829503 567948513 /nfs/dbraw/zinc/94/85/13/567948513.db2.gz BRXCAKDDBAZTQJ-UHFFFAOYSA-N 0 0 293.370 3.641 50 0 CHAARN Cn1cccc1C(=O)COc1ccccc1-c1ccccc1 ZINC000025214577 567948975 /nfs/dbraw/zinc/94/89/75/567948975.db2.gz FUZQJQPELIJYSG-UHFFFAOYSA-N 0 0 291.350 3.954 50 0 CHAARN Fc1cccc(C2(c3nc([C@H]4CCCO4)no3)CCC2)c1 ZINC000225598873 567953876 /nfs/dbraw/zinc/95/38/76/567953876.db2.gz CIHFZLOTGGRROD-CYBMUJFWSA-N 0 0 288.322 3.530 50 0 CHAARN COc1cccc(-c2c[nH]cc2C(=O)N(C)CC2CCC2)c1 ZINC000225560425 567954021 /nfs/dbraw/zinc/95/40/21/567954021.db2.gz SPWZINMOGKQNJA-UHFFFAOYSA-N 0 0 298.386 3.562 50 0 CHAARN Cc1cnc(NCc2ncc(C(C)(C)C)s2)s1 ZINC000225730445 567954779 /nfs/dbraw/zinc/95/47/79/567954779.db2.gz OSIDGCHQACSVRJ-UHFFFAOYSA-N 0 0 267.423 3.818 50 0 CHAARN Cc1nn(C)c(OCc2csc(C3CCCC3)n2)c1C ZINC000225825413 567955047 /nfs/dbraw/zinc/95/50/47/567955047.db2.gz WARRUPDGNKIFLP-UHFFFAOYSA-N 0 0 291.420 3.730 50 0 CHAARN Cc1cccc(OCC(=O)N2CCSc3ccccc32)c1 ZINC000041155146 567956100 /nfs/dbraw/zinc/95/61/00/567956100.db2.gz YWJQMIOCCNPEBI-UHFFFAOYSA-N 0 0 299.395 3.513 50 0 CHAARN CCOc1ccccc1NC(=O)N1CCc2ccccc21 ZINC000002532762 570217493 /nfs/dbraw/zinc/21/74/93/570217493.db2.gz CYTGYTOESVJZBR-UHFFFAOYSA-N 0 0 282.343 3.680 50 0 CHAARN c1ccc2c(c1)ccnc2Cc1ccc2c(c1)OCO2 ZINC000005800662 570219260 /nfs/dbraw/zinc/21/92/60/570219260.db2.gz JPDQLTJHWQALQW-UHFFFAOYSA-N 0 0 263.296 3.554 50 0 CHAARN CCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccco1 ZINC000011667380 570220269 /nfs/dbraw/zinc/22/02/69/570220269.db2.gz SJHKNPHXWVKYCK-LBPRGKRZSA-N 0 0 297.358 3.530 50 0 CHAARN Cc1ccsc1C(=O)N[C@H](C)c1cccs1 ZINC000025314051 570230137 /nfs/dbraw/zinc/23/01/37/570230137.db2.gz TZQXNLPVOCEZSO-SECBINFHSA-N 0 0 251.376 3.609 50 0 CHAARN CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc3c(s2)CCC3)C1(C)C ZINC000025769313 570231319 /nfs/dbraw/zinc/23/13/19/570231319.db2.gz MAFXNZDMVZTCFP-ZWNOBZJWSA-N 0 0 290.432 3.809 50 0 CHAARN Nc1onc(-c2ccc(F)cc2)c1-c1ccccc1 ZINC000026512506 570232196 /nfs/dbraw/zinc/23/21/96/570232196.db2.gz XCJRPTVOHSWTQN-UHFFFAOYSA-N 0 0 254.264 3.730 50 0 CHAARN CC(C)=C[C@H]1[C@H](C(=O)Nc2nnc(C(C)C)s2)C1(C)C ZINC000026601287 570232266 /nfs/dbraw/zinc/23/22/66/570232266.db2.gz VGSJKDUSHOPWAZ-WDEREUQCSA-N 0 0 293.436 3.838 50 0 CHAARN O=c1cc(-c2ccccc2)nc(Nc2ccc(Cl)cc2)[nH]1 ZINC000036077490 570233364 /nfs/dbraw/zinc/23/33/64/570233364.db2.gz JVAZCDWVZTUYGV-UHFFFAOYSA-N 0 0 297.745 3.834 50 0 CHAARN CC[C@@H](C)[C@H](C(=O)Nc1nnc(C)s1)c1ccccc1 ZINC000032992759 570233941 /nfs/dbraw/zinc/23/39/41/570233941.db2.gz CGDCBCPFRCOMTF-MFKMUULPSA-N 0 0 289.404 3.615 50 0 CHAARN O=C(CCSc1ccccc1)NCCc1cccs1 ZINC000032988818 570233989 /nfs/dbraw/zinc/23/39/89/570233989.db2.gz JUULPWSNIFBCCQ-UHFFFAOYSA-N 0 0 291.441 3.589 50 0 CHAARN O=C1CC(c2ccc(Cl)cc2)CC(=O)N1c1ccccc1 ZINC000032985295 570234023 /nfs/dbraw/zinc/23/40/23/570234023.db2.gz ASTDEPOBHBMTGP-UHFFFAOYSA-N 0 0 299.757 3.777 50 0 CHAARN S=c1nccc(N2CCC(Cc3ccccc3)CC2)[nH]1 ZINC000040478757 570235204 /nfs/dbraw/zinc/23/52/04/570235204.db2.gz GCRWIHGWQWVJLC-UHFFFAOYSA-N 0 0 285.416 3.598 50 0 CHAARN CCOc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000004600130 570235391 /nfs/dbraw/zinc/23/53/91/570235391.db2.gz MZTISJSSZNSWMM-UHFFFAOYSA-N 0 0 275.735 3.991 50 0 CHAARN Cc1ccc(C2=NC(=CNc3cccc(C)c3)C(=O)O2)cc1 ZINC000013520391 570235696 /nfs/dbraw/zinc/23/56/96/570235696.db2.gz MYPPKXAZPVMPHW-LFIBNONCSA-N 0 0 292.338 3.560 50 0 CHAARN O=C(c1cncc2ccccc21)c1c(F)cccc1F ZINC000045028912 570236216 /nfs/dbraw/zinc/23/62/16/570236216.db2.gz JFAICDLYINSBRY-UHFFFAOYSA-N 0 0 269.250 3.744 50 0 CHAARN COc1cccc(C(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000045028764 570236255 /nfs/dbraw/zinc/23/62/55/570236255.db2.gz LMQOVLSKXLKJJS-UHFFFAOYSA-N 0 0 282.126 3.628 50 0 CHAARN CC/C=C/CC(=O)N(Cc1ccncc1)[C@H](C)CC ZINC000055386760 570242948 /nfs/dbraw/zinc/24/29/48/570242948.db2.gz DOUWWWKJFVQDCR-PSKZRQQASA-N 0 0 260.381 3.565 50 0 CHAARN CCc1cnc(C)nc1N[C@@H](c1ccccn1)C(C)C ZINC000065529969 570244397 /nfs/dbraw/zinc/24/43/97/570244397.db2.gz QTILIVVFKRHIBS-OAHLLOKOSA-N 0 0 270.380 3.552 50 0 CHAARN Fc1ccc(-c2noc(-c3ccc[nH]c3=S)n2)cc1 ZINC000067172459 570245857 /nfs/dbraw/zinc/24/58/57/570245857.db2.gz RCDSEBGBBOPTPD-UHFFFAOYSA-N 0 0 273.292 3.600 50 0 CHAARN O=c1[nH]c(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000067175665 570246300 /nfs/dbraw/zinc/24/63/00/570246300.db2.gz MYYIVTKKJNTBKN-UHFFFAOYSA-N 0 0 269.325 3.896 50 0 CHAARN CCOc1ccccc1C[N@H+](CC)Cc1ccncc1 ZINC000004676949 570247727 /nfs/dbraw/zinc/24/77/27/570247727.db2.gz BNOHDTZMXUJXLM-UHFFFAOYSA-N 0 0 270.376 3.502 50 0 CHAARN Cc1cc(C)cc(NC(=O)N2CCN(C)c3ccccc32)c1 ZINC000033127067 570247793 /nfs/dbraw/zinc/24/77/93/570247793.db2.gz XECOTOWNVHZCFM-UHFFFAOYSA-N 0 0 295.386 3.792 50 0 CHAARN COc1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1 ZINC000033145523 570249003 /nfs/dbraw/zinc/24/90/03/570249003.db2.gz PMHKQOCGBCABPN-UHFFFAOYSA-N 0 0 294.310 3.603 50 0 CHAARN Cc1cc(C)c2c(N)c(C(=O)Nc3ccccc3)sc2n1 ZINC000000084497 570254476 /nfs/dbraw/zinc/25/44/76/570254476.db2.gz RSGIEJAVCYAYCA-UHFFFAOYSA-N 0 0 297.383 3.748 50 0 CHAARN COc1ccc(-c2nc(C(C)C)cs2)cc1C=O ZINC000725242492 570254839 /nfs/dbraw/zinc/25/48/39/570254839.db2.gz LDTHYRRPSQAQGR-UHFFFAOYSA-N 0 0 261.346 3.755 50 0 CHAARN COC(=O)c1cc(-c2ccnc(C(F)F)c2)ccc1C ZINC000725273676 570263979 /nfs/dbraw/zinc/26/39/79/570263979.db2.gz UBOGVIYOURKOLY-UHFFFAOYSA-N 0 0 277.270 3.781 50 0 CHAARN CCCN1C(=O)c2ccccc2N[C@H]1c1cccc(F)c1 ZINC000000350679 570265004 /nfs/dbraw/zinc/26/50/04/570265004.db2.gz YTIPRWUPQRIBLV-MRXNPFEDSA-N 0 0 284.334 3.802 50 0 CHAARN CC1CCN(C(=O)Cc2cccc3ccccc32)CC1 ZINC000000358767 570265177 /nfs/dbraw/zinc/26/51/77/570265177.db2.gz LRYAFYREMMNOGS-UHFFFAOYSA-N 0 0 267.372 3.641 50 0 CHAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(F)c1 ZINC000000350677 570265027 /nfs/dbraw/zinc/26/50/27/570265027.db2.gz YTIPRWUPQRIBLV-INIZCTEOSA-N 0 0 284.334 3.802 50 0 CHAARN COc1ccc([C@@H](C)NC(=O)c2sccc2C)cc1F ZINC000024078493 570265483 /nfs/dbraw/zinc/26/54/83/570265483.db2.gz ZOCMGXOUDMRGJY-SNVBAGLBSA-N 0 0 293.363 3.695 50 0 CHAARN COc1cccc(C(=O)Oc2ccc3ccc(O)cc3c2)c1 ZINC000000364988 570265605 /nfs/dbraw/zinc/26/56/05/570265605.db2.gz PXEPETGAPOUCRC-UHFFFAOYSA-N 0 0 294.306 3.773 50 0 CHAARN O=C(Nc1nc2ccccc2[nH]1)Nc1cccc(Cl)c1 ZINC000000375545 570265952 /nfs/dbraw/zinc/26/59/52/570265952.db2.gz YBMWQUIVUSOXGD-UHFFFAOYSA-N 0 0 286.722 3.860 50 0 CHAARN O=C(Nc1ccc(F)c(F)c1)c1cccc(OC(F)F)c1 ZINC000000374230 570265955 /nfs/dbraw/zinc/26/59/55/570265955.db2.gz LGBOFZJPIJLEAZ-UHFFFAOYSA-N 0 0 299.223 3.819 50 0 CHAARN Clc1c(-c2ccccc2)nnn1-c1ccccc1 ZINC000000383876 570266457 /nfs/dbraw/zinc/26/64/57/570266457.db2.gz JROKPQGOVFIVIM-UHFFFAOYSA-N 0 0 255.708 3.588 50 0 CHAARN Fc1ccc([C@H]2CC(c3ccccc3)=NC(=S)N2)cc1 ZINC000000449550 570271662 /nfs/dbraw/zinc/27/16/62/570271662.db2.gz PNDQFIRJQKWOHK-OAHLLOKOSA-N 0 0 284.359 3.797 50 0 CHAARN CNc1nc2c(s1)[C@H](c1cccc(F)c1F)CC(=O)N2 ZINC000061718828 570272131 /nfs/dbraw/zinc/27/21/31/570272131.db2.gz HASVUIKLUCXREU-ZETCQYMHSA-N 0 0 295.314 3.587 50 0 CHAARN Cc1ccc2scc(N3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000005202432 570272334 /nfs/dbraw/zinc/27/23/34/570272334.db2.gz OEWBOHUVVIQZAF-GFCCVEGCSA-N 0 0 273.401 3.806 50 0 CHAARN Cc1cccnc1[C@@H](NC(=O)c1cccs1)C(C)C ZINC000079358056 570273022 /nfs/dbraw/zinc/27/30/22/570273022.db2.gz GLJBEDMYZXYWKB-ZDUSSCGKSA-N 0 0 274.389 3.579 50 0 CHAARN C/C(=C\c1csc(-c2ccccn2)n1)c1cnccn1 ZINC000180381069 570273753 /nfs/dbraw/zinc/27/37/53/570273753.db2.gz VITPXQKHRGBDFL-DHZHZOJOSA-N 0 0 280.356 3.556 50 0 CHAARN Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccccc1 ZINC000034244607 570275171 /nfs/dbraw/zinc/27/51/71/570275171.db2.gz WQYQJVNPJUGMFG-UHFFFAOYSA-N 0 0 277.327 3.637 50 0 CHAARN CC(C)N(Cc1ccccc1)C(=O)Cc1cccs1 ZINC000002739408 570278045 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/nfs/dbraw/zinc/29/33/06/570293306.db2.gz CUIXYEWOLVNHBF-UHFFFAOYSA-N 0 0 297.383 3.881 50 0 CHAARN O=C(c1ccccc1)N1CCC(c2ccc(Cl)cc2)=N1 ZINC000044973437 570294603 /nfs/dbraw/zinc/29/46/03/570294603.db2.gz MZYAJZXOVRUNJB-UHFFFAOYSA-N 0 0 284.746 3.590 50 0 CHAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H](C)C1CC1 ZINC000048113692 570296139 /nfs/dbraw/zinc/29/61/39/570296139.db2.gz AJZDJOABTHKWQL-RISCZKNCSA-N 0 0 290.407 3.699 50 0 CHAARN Cc1nc(C)c([C@@H](C)NC(=O)Nc2cccc(F)c2)s1 ZINC000048694435 570298958 /nfs/dbraw/zinc/29/89/58/570298958.db2.gz PNPAQJGLTDWPBA-SECBINFHSA-N 0 0 293.367 3.782 50 0 CHAARN CC(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000049350881 570300371 /nfs/dbraw/zinc/30/03/71/570300371.db2.gz AWXQLLXHYIPYKM-ZDUSSCGKSA-N 0 0 265.765 3.627 50 0 CHAARN Cc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)s1 ZINC000245285817 570304202 /nfs/dbraw/zinc/30/42/02/570304202.db2.gz YQTBZQOZKLECJT-UHFFFAOYSA-N 0 0 285.294 3.916 50 0 CHAARN CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cccc2cc[nH]c21 ZINC000216058410 570304924 /nfs/dbraw/zinc/30/49/24/570304924.db2.gz BWDQWOJOAMTSAQ-UHFFFAOYSA-N 0 0 296.418 3.821 50 0 CHAARN CSc1cccc(NC(=O)c2n[nH]c3ccccc32)c1 ZINC000007328663 570308939 /nfs/dbraw/zinc/30/89/39/570308939.db2.gz GFMRYNWNOZUTRR-UHFFFAOYSA-N 0 0 283.356 3.537 50 0 CHAARN C[C@H]1CCCCN1C(=O)c1csc(-c2ccsc2)n1 ZINC000023177674 570311038 /nfs/dbraw/zinc/31/10/38/570311038.db2.gz VWWSJIVYDGITRM-JTQLQIEISA-N 0 0 292.429 3.886 50 0 CHAARN Cc1ccccc1CC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000024885490 570312051 /nfs/dbraw/zinc/31/20/51/570312051.db2.gz SYZUUSNIJCVNSD-UHFFFAOYSA-N 0 0 291.354 3.566 50 0 CHAARN C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)c2cccs2)C1 ZINC000000055647 570319243 /nfs/dbraw/zinc/31/92/43/570319243.db2.gz KRBLETPIBLNLFM-GFCCVEGCSA-N 0 0 274.389 3.766 50 0 CHAARN CC[C@H](C)c1ccc([C@H](CC)NC(=O)[C@H]2CCCO2)cc1 ZINC000239121172 570320389 /nfs/dbraw/zinc/32/03/89/570320389.db2.gz JLUUSXYQFJQHRS-RRQGHBQHSA-N 0 0 289.419 3.946 50 0 CHAARN C[C@@H]1c2cc(F)ccc2CCN1Cc1cc(C2CC2)on1 ZINC000244817198 570321055 /nfs/dbraw/zinc/32/10/55/570321055.db2.gz SVXVIVKFBGANCH-LLVKDONJSA-N 0 0 286.350 3.810 50 0 CHAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000003814360 570321786 /nfs/dbraw/zinc/32/17/86/570321786.db2.gz NVKAWKQGWWIWPM-ABEVXSGRSA-N 0 0 290.447 3.959 50 0 endogenous,world CHAARN Cc1nc2ncnc(N[C@H](C)CCCC(C)C)c2nc1C ZINC000222286236 570322248 /nfs/dbraw/zinc/32/22/48/570322248.db2.gz IINOGKQBFRPVID-LLVKDONJSA-N 0 0 287.411 3.663 50 0 CHAARN Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O ZINC000000936999 570322635 /nfs/dbraw/zinc/32/26/35/570322635.db2.gz GGNFHXDWBNADFL-UHFFFAOYSA-N 0 0 292.363 3.815 50 0 CHAARN CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)o2)cc1 ZINC000035052910 570329518 /nfs/dbraw/zinc/32/95/18/570329518.db2.gz UTOLLFYAGIDFES-CYBMUJFWSA-N 0 0 259.349 3.838 50 0 CHAARN Cc1cc2c(s1)CC[C@@H]1SC(Cl)C=C1C2=O ZINC000005926956 570325953 /nfs/dbraw/zinc/32/59/53/570325953.db2.gz FCXWGMSAKHCPHC-SCZZXKLOSA-N 0 0 270.806 3.997 50 0 CHAARN Cc1cccc(NC(=O)c2csc(-c3ccccc3)n2)n1 ZINC000012523235 570326715 /nfs/dbraw/zinc/32/67/15/570326715.db2.gz FFEDFWIJNOGHSE-UHFFFAOYSA-N 0 0 295.367 3.766 50 0 CHAARN Cc1ccc(NCC(=O)Nc2c(C)cccc2C)cc1 ZINC000012528379 570327078 /nfs/dbraw/zinc/32/70/78/570327078.db2.gz LIKOTHRWWQCJON-UHFFFAOYSA-N 0 0 268.360 3.662 50 0 CHAARN Cc1cccnc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000012545123 570327380 /nfs/dbraw/zinc/32/73/80/570327380.db2.gz USCMHTFEVPKDSM-UHFFFAOYSA-N 0 0 294.276 3.590 50 0 CHAARN CCC[C@H](C(=O)Nc1ccncc1)c1ccccc1 ZINC000012543425 570327447 /nfs/dbraw/zinc/32/74/47/570327447.db2.gz XGKMNZIAKYRIAL-HNNXBMFYSA-N 0 0 254.333 3.604 50 0 CHAARN COC(=O)[C@@H](C)Oc1ccc(-c2ccc(C)cc2)cc1 ZINC000004056181 570331090 /nfs/dbraw/zinc/33/10/90/570331090.db2.gz IBUGDMDFMXQWJL-CYBMUJFWSA-N 0 0 270.328 3.602 50 0 CHAARN COCCOc1cc(-n2cccc2)c(Cl)cc1Cl ZINC000004053023 570331112 /nfs/dbraw/zinc/33/11/12/570331112.db2.gz FVRJOWKZPUREJO-UHFFFAOYSA-N 0 0 286.158 3.809 50 0 CHAARN Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)cc(C)n1 ZINC000004054401 570331485 /nfs/dbraw/zinc/33/14/85/570331485.db2.gz BDNAUPMDPUUFOE-UHFFFAOYSA-N 0 0 294.276 3.970 50 0 CHAARN O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1C1CCCC1 ZINC000056033652 570331865 /nfs/dbraw/zinc/33/18/65/570331865.db2.gz SNQUZIGIXUBIRM-GOSISDBHSA-N 0 0 296.414 3.892 50 0 CHAARN COc1ccccc1C1=N[C@H](c2ccc(C)cc2)N=C1C ZINC000001386250 570333069 /nfs/dbraw/zinc/33/30/69/570333069.db2.gz VLZXHIOAOFAPFB-GOSISDBHSA-N 0 0 278.355 3.966 50 0 CHAARN Fc1ccc(-c2ccnc(SC(F)F)n2)cc1 ZINC000001386448 570333071 /nfs/dbraw/zinc/33/30/71/570333071.db2.gz SBHWYXROAPNBCY-UHFFFAOYSA-N 0 0 256.252 3.597 50 0 CHAARN O=C1CCCc2ccccc2N1Cc1cccc(F)c1 ZINC000001386973 570333309 /nfs/dbraw/zinc/33/33/09/570333309.db2.gz BPTOSZIRDKQCPX-UHFFFAOYSA-N 0 0 269.319 3.695 50 0 CHAARN CC(=O)NCC[C@@H]1[C@H](c2c(C)[nH]c3ccccc32)C1(C)C ZINC000001414673 570334292 /nfs/dbraw/zinc/33/42/92/570334292.db2.gz VDKKKDCNGYVWHA-RHSMWYFYSA-N 0 0 284.403 3.742 50 0 biogenic CHAARN Cc1nn(CC(=O)Nc2ccc(C)cc2C)c2ccccc12 ZINC000015671629 570337450 /nfs/dbraw/zinc/33/74/50/570337450.db2.gz APNMQLGVTOKKTQ-UHFFFAOYSA-N 0 0 293.370 3.600 50 0 CHAARN Cc1cnc(C[S@](=O)Cc2cccc3ccccc32)o1 ZINC000085223978 570338068 /nfs/dbraw/zinc/33/80/68/570338068.db2.gz MWACUEPKVBMMAL-FQEVSTJZSA-N 0 0 285.368 3.585 50 0 CHAARN COC(C)(C)c1noc([C@@H]2C[C@H]2c2ccccc2C)n1 ZINC000085237854 570338224 /nfs/dbraw/zinc/33/82/24/570338224.db2.gz VHYUZQQJXWAQAN-QWHCGFSZSA-N 0 0 272.348 3.531 50 0 CHAARN CCCNC(=O)c1ccccc1SCc1cscn1 ZINC000012818403 570338880 /nfs/dbraw/zinc/33/88/80/570338880.db2.gz YCSSKYKKHLCIMN-UHFFFAOYSA-N 0 0 292.429 3.575 50 0 CHAARN CC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000012936643 570339788 /nfs/dbraw/zinc/33/97/88/570339788.db2.gz KWZUXCKSSBURMI-UHFFFAOYSA-N 0 0 288.734 3.551 50 0 CHAARN C[C@@H](NC(=O)c1ccoc1)C12CC3CC(CC(C3)C1)C2 ZINC000012850054 570340995 /nfs/dbraw/zinc/34/09/95/570340995.db2.gz KXHPGZFBJIPPKN-SFCYXTAJSA-N 0 0 273.376 3.614 50 0 CHAARN C[C@H](NC(=O)c1ccoc1)C12CC3CC(CC(C3)C1)C2 ZINC000012850057 570340997 /nfs/dbraw/zinc/34/09/97/570340997.db2.gz KXHPGZFBJIPPKN-GVMDUPDNSA-N 0 0 273.376 3.614 50 0 CHAARN Cc1ccccc1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012856860 570341267 /nfs/dbraw/zinc/34/12/67/570341267.db2.gz JNSFNOJTORDFML-UHFFFAOYSA-N 0 0 283.415 3.623 50 0 CHAARN O=C(N[C@H](c1cccs1)c1ccccc1)c1ccoc1 ZINC000012852878 570341283 /nfs/dbraw/zinc/34/12/83/570341283.db2.gz LIUMBDQZTSSAEC-HNNXBMFYSA-N 0 0 283.352 3.861 50 0 CHAARN O=C(Nc1cccc(O)c1)c1ccc(Cl)c(Cl)c1 ZINC000000397597 570342588 /nfs/dbraw/zinc/34/25/88/570342588.db2.gz YGDAKFDKWGPCGX-UHFFFAOYSA-N 0 0 282.126 3.951 50 0 CHAARN Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC1 ZINC000005422792 570345084 /nfs/dbraw/zinc/34/50/84/570345084.db2.gz VFHNWGWCRPBRHK-UHFFFAOYSA-N 0 0 265.312 3.740 50 0 CHAARN CCc1nc2c3ccccc3oc2c(OCC(F)(F)F)n1 ZINC000015866573 570345440 /nfs/dbraw/zinc/34/54/40/570345440.db2.gz IXHVCBHFEKJLHF-UHFFFAOYSA-N 0 0 296.248 3.880 50 0 CHAARN CSc1ccc(NC[C@H]2C[C@]23CCc2ccccc23)nn1 ZINC000088739994 570347943 /nfs/dbraw/zinc/34/79/43/570347943.db2.gz PVFGCHVKFJCYOZ-CXAGYDPISA-N 0 0 297.427 3.515 50 0 CHAARN CCC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl ZINC000035318076 570348828 /nfs/dbraw/zinc/34/88/28/570348828.db2.gz BGEGITFTRGEBBZ-UITAMQMPSA-N 0 0 254.116 3.879 50 0 CHAARN Cc1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)cn1 ZINC000012979064 570353383 /nfs/dbraw/zinc/35/33/83/570353383.db2.gz HFUKVIUBLZYSBR-UHFFFAOYSA-N 0 0 296.370 3.964 50 0 CHAARN O=C(c1ccc(-c2cccs2)nc1)N1CCCCCC1 ZINC000064542328 570358558 /nfs/dbraw/zinc/35/85/58/570358558.db2.gz RKYPRQSWXXDKHT-UHFFFAOYSA-N 0 0 286.400 3.826 50 0 CHAARN Cc1oc(C(C)C)nc1C(=O)NCc1cccc(Cl)c1 ZINC000065293454 570361879 /nfs/dbraw/zinc/36/18/79/570361879.db2.gz UIISUEVLPAGDHL-UHFFFAOYSA-N 0 0 292.766 3.690 50 0 CHAARN CC(C)c1noc(CN[C@H](C)c2ccccc2Cl)n1 ZINC000065606543 570362565 /nfs/dbraw/zinc/36/25/65/570362565.db2.gz MJEKGRUNTSSWHS-SNVBAGLBSA-N 0 0 279.771 3.697 50 0 CHAARN COc1ccc(CNc2ncnc3ccccc32)cc1C ZINC000170614841 570363274 /nfs/dbraw/zinc/36/32/74/570363274.db2.gz AJPCFAWDNKZTLG-UHFFFAOYSA-N 0 0 279.343 3.559 50 0 CHAARN CC(C)Cc1ccccc1-c1nc(-c2ccncc2)no1 ZINC000170615962 570363298 /nfs/dbraw/zinc/36/32/98/570363298.db2.gz RVSXJTUILQXIQB-UHFFFAOYSA-N 0 0 279.343 3.997 50 0 CHAARN Cc1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1F ZINC000014373791 570365995 /nfs/dbraw/zinc/36/59/95/570365995.db2.gz NTBJPERBAICIEJ-INIZCTEOSA-N 0 0 269.319 3.551 50 0 CHAARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCCCCC1 ZINC000089473560 570370637 /nfs/dbraw/zinc/37/06/37/570370637.db2.gz NXVTVCNJNZLOSF-JKSUJKDBSA-N 0 0 287.403 3.591 50 0 CHAARN COC(=O)c1ccc(/C=C\c2ccc(C)cc2)cc1 ZINC000209053573 570380729 /nfs/dbraw/zinc/38/07/29/570380729.db2.gz PVDGTKDIUWXLNG-FPLPWBNLSA-N 0 0 252.313 3.952 50 0 CHAARN c1ccc(-c2nc3ccccc3nc2-c2ccccn2)nc1 ZINC000000133435 570382424 /nfs/dbraw/zinc/38/24/24/570382424.db2.gz ILLTYNYTHFEGHK-UHFFFAOYSA-N 0 0 284.322 3.754 50 0 CHAARN O=C(/C=C/c1ccc(F)cc1)N1CCCc2ccccc21 ZINC000000259123 570382919 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WCAUJFFEFQWJOZ-UHFFFAOYSA-N 0 0 269.529 3.560 50 0 CHAARN O=C(C1CC1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000211146969 189687670 /nfs/dbraw/zinc/68/76/70/189687670.db2.gz ZGTWOAAGPWLTTQ-AWEZNQCLSA-N 0 0 295.835 3.757 50 0 CHAARN CC(C)Nc1ccnc(-c2ccc(OC(C)C)cc2)n1 ZINC000216508693 189705462 /nfs/dbraw/zinc/70/54/62/189705462.db2.gz KHXSKTKXYPBFQX-UHFFFAOYSA-N 0 0 271.364 3.751 50 0 CHAARN CN(Cc1ccon1)C(=O)c1ccccc1-c1ccccc1 ZINC000215975525 189699148 /nfs/dbraw/zinc/69/91/48/189699148.db2.gz UKGXHGJWIPXGNA-UHFFFAOYSA-N 0 0 292.338 3.614 50 0 CHAARN O=C(C1CCCC1)N1CCS[C@H](c2cccs2)CC1 ZINC000219472452 189720509 /nfs/dbraw/zinc/72/05/09/189720509.db2.gz PGXOLXHDEWBMKA-AWEZNQCLSA-N 0 0 295.473 3.945 50 0 CHAARN O=C(OCc1nc2ccccc2s1)c1cc[nH]c1C1CC1 ZINC000225387608 189748374 /nfs/dbraw/zinc/74/83/74/189748374.db2.gz PYEHYUKHHWQDKL-UHFFFAOYSA-N 0 0 298.367 3.859 50 0 CHAARN C[C@@H]1CCC[C@H](CC(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000225715671 189762719 /nfs/dbraw/zinc/76/27/19/189762719.db2.gz SGRHWWJAESTBIN-OWCLPIDISA-N 0 0 293.451 3.668 50 0 CHAARN CSc1ccc(NC(=O)Nc2ccsc2)nc1 ZINC000242389580 189905495 /nfs/dbraw/zinc/90/54/95/189905495.db2.gz ZYNWPFBHXQEVED-UHFFFAOYSA-N 0 0 265.363 3.509 50 0 CHAARN CC1(C)Cc2ccc3c(c2O1)C(=O)O[C@@H]3c1ccccc1 ZINC000252478540 189974566 /nfs/dbraw/zinc/97/45/66/189974566.db2.gz APCWULIHTHBGPU-OAHLLOKOSA-N 0 0 280.323 3.660 50 0 CHAARN Cc1nc(CC2CC2)oc1C(=O)N[C@@H](C)C1CCCCC1 ZINC000252503239 189978903 /nfs/dbraw/zinc/97/89/03/189978903.db2.gz UZWDZWNMDIWNGS-NSHDSACASA-N 0 0 290.407 3.634 50 0 CHAARN CSc1ncc2c(Cl)cc(C(F)(F)F)cn21 ZINC000261494774 190039623 /nfs/dbraw/zinc/03/96/23/190039623.db2.gz FNYQEAIUCOTZLK-UHFFFAOYSA-N 0 0 266.675 3.728 50 0 CHAARN CC(C)Oc1c(F)ccc(Br)c1F ZINC000261493920 190039911 /nfs/dbraw/zinc/03/99/11/190039911.db2.gz LYTRUZGPMAKUPV-UHFFFAOYSA-N 0 0 251.070 3.515 50 0 CHAARN Nc1cc(Br)cc(Cl)c1C(F)(F)F ZINC000263624034 190070785 /nfs/dbraw/zinc/07/07/85/190070785.db2.gz MVUBCSABBPDJRM-UHFFFAOYSA-N 0 0 274.467 3.704 50 0 CHAARN CCOC(=O)Cc1cc(Cl)cc(OC(F)F)c1Cl ZINC000263624392 190070882 /nfs/dbraw/zinc/07/08/82/190070882.db2.gz QBDCBWHCEIWBGS-UHFFFAOYSA-N 0 0 299.100 3.700 50 0 CHAARN Nc1c(Cl)ccc(Br)c1C(F)(F)F ZINC000263624579 190071032 /nfs/dbraw/zinc/07/10/32/190071032.db2.gz RSHNIOKMBVTPBO-UHFFFAOYSA-N 0 0 274.467 3.704 50 0 CHAARN CC(=O)c1cc(F)cc(Br)c1Br ZINC000263625326 190071161 /nfs/dbraw/zinc/07/11/61/190071161.db2.gz YTLBTYOYHABNHX-UHFFFAOYSA-N 0 0 295.933 3.553 50 0 CHAARN CC(C)[C@@H](C)NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000002643095 169817498 /nfs/dbraw/zinc/81/74/98/169817498.db2.gz HUCFUQAPVRPRBK-OAHLLOKOSA-N 0 0 297.398 3.893 50 0 CHAARN c1ccc(CSc2ncnc3ccccc32)cc1 ZINC000000024749 169507760 /nfs/dbraw/zinc/50/77/60/169507760.db2.gz QJZTVGMLKDNEMO-UHFFFAOYSA-N 0 0 252.342 3.922 50 0 CHAARN Cc1cc(C)cc(NC(=O)COc2ccc(C)c(C)c2)c1 ZINC000000044484 169515937 /nfs/dbraw/zinc/51/59/37/169515937.db2.gz FJAHXIJRQSJXNL-UHFFFAOYSA-N 0 0 283.371 3.938 50 0 CHAARN CC(=O)c1cccc(NC(=O)COc2ccc(C)c(C)c2)c1 ZINC000000050486 169518082 /nfs/dbraw/zinc/51/80/82/169518082.db2.gz YHYOYBYJMKXRGW-UHFFFAOYSA-N 0 0 297.354 3.524 50 0 CHAARN O=C(CSCc1ccccc1)Nc1ccccc1 ZINC000000054238 169519277 /nfs/dbraw/zinc/51/92/77/169519277.db2.gz BSVKTDZTZBLGIA-UHFFFAOYSA-N 0 0 257.358 3.559 50 0 CHAARN O=C(/C=C/c1ccc(Cl)cc1)NCCc1ccccc1 ZINC000000063918 169523308 /nfs/dbraw/zinc/52/33/08/169523308.db2.gz UIVHFGGSZLLTNW-DHZHZOJOSA-N 0 0 285.774 3.712 50 0 biogenic CHAARN COC(=O)c1cc(CCC=C(C)C)nc2ccccc21 ZINC000000062591 169522840 /nfs/dbraw/zinc/52/28/40/169522840.db2.gz MRJFZJVKPXSVIU-UHFFFAOYSA-N 0 0 269.344 3.920 50 0 CHAARN O=C(Nc1cccc(SC(F)(F)F)c1)c1cccnc1 ZINC000000065737 169523897 /nfs/dbraw/zinc/52/38/97/169523897.db2.gz YIDXOWDFTZQULO-UHFFFAOYSA-N 0 0 298.289 3.946 50 0 CHAARN COc1ccncc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000078569 169528606 /nfs/dbraw/zinc/52/86/06/169528606.db2.gz NDUVXZDLQIAAPF-UHFFFAOYSA-N 0 0 297.141 3.649 50 0 CHAARN O=C1N[C@H](c2ccc(Cl)c(Cl)c2)Nc2ccccc21 ZINC000000094613 169534302 /nfs/dbraw/zinc/53/43/02/169534302.db2.gz CSVDZWZDDOQYLU-CYBMUJFWSA-N 0 0 293.153 3.848 50 0 CHAARN Cc1ccccc1-c1nc2cc(Cl)ccc2c(=O)o1 ZINC000000097190 169535007 /nfs/dbraw/zinc/53/50/07/169535007.db2.gz RDIAVAAUQPUWMH-UHFFFAOYSA-N 0 0 271.703 3.817 50 0 CHAARN O=C(CSCc1ccc(Cl)cc1)Nc1nccs1 ZINC000000098461 169535336 /nfs/dbraw/zinc/53/53/36/169535336.db2.gz VNDKVRPZDLMDAF-UHFFFAOYSA-N 0 0 298.820 3.668 50 0 CHAARN O=C1O[C@@H](Nc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000000100162 169536008 /nfs/dbraw/zinc/53/60/08/169536008.db2.gz RIEMQIBCJUVPFC-CYBMUJFWSA-N 0 0 293.244 3.987 50 0 CHAARN CC(=O)c1csc(COc2ccc(Cl)cc2)n1 ZINC000000122629 169544076 /nfs/dbraw/zinc/54/40/76/169544076.db2.gz BKMKHUOYYSYZRD-UHFFFAOYSA-N 0 0 267.737 3.578 50 0 CHAARN Cc1cc(NC(=O)c2cc(Cl)sc2Cl)no1 ZINC000000141065 169551725 /nfs/dbraw/zinc/55/17/25/169551725.db2.gz ZLJRRZXGSJTXNL-UHFFFAOYSA-N 0 0 277.132 3.604 50 0 CHAARN O=c1c2ccccc2cnn1-c1ccc2ccccc2c1 ZINC000000142961 169552432 /nfs/dbraw/zinc/55/24/32/169552432.db2.gz FSLCVBMZDHZDKO-UHFFFAOYSA-N 0 0 272.307 3.539 50 0 CHAARN Cc1c(C(=O)Nc2ccccc2)cnn1-c1ccc(F)cc1 ZINC000000152477 169556090 /nfs/dbraw/zinc/55/60/90/169556090.db2.gz RQGMWCHOFZEUDE-UHFFFAOYSA-N 0 0 295.317 3.572 50 0 CHAARN O=C(NCc1ccccc1)c1cc2ccccc2s1 ZINC000000175453 169564437 /nfs/dbraw/zinc/56/44/37/169564437.db2.gz ZBMXYFCVTCXGFP-UHFFFAOYSA-N 0 0 267.353 3.831 50 0 CHAARN Cc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)O2)cc1C ZINC000000178073 169565203 /nfs/dbraw/zinc/56/52/03/169565203.db2.gz WPECHHKMAKCMJV-YBEGLDIGSA-N 0 0 295.313 3.787 50 0 CHAARN COc1cccc(-c2ncnn2-c2cccc(Cl)c2C)c1 ZINC000000181021 169565945 /nfs/dbraw/zinc/56/59/45/169565945.db2.gz CEAWTBPITUJTSL-UHFFFAOYSA-N 0 0 299.761 3.905 50 0 CHAARN Cc1[nH]c2ccccc2c1C(=O)COc1ccccc1 ZINC000000188255 169568588 /nfs/dbraw/zinc/56/85/88/169568588.db2.gz URBCCRQWKDBWFY-UHFFFAOYSA-N 0 0 265.312 3.738 50 0 CHAARN Cc1ccc(O)c(-c2cc(C(F)(F)C(F)F)no2)c1 ZINC000000236309 169582614 /nfs/dbraw/zinc/58/26/14/169582614.db2.gz PWZMDKNCLKKEGW-UHFFFAOYSA-N 0 0 275.201 3.713 50 0 CHAARN O=c1c2ccccc2ncn1-c1ccc(Cl)cc1Cl ZINC000000236274 169582620 /nfs/dbraw/zinc/58/26/20/169582620.db2.gz VRQGJGXMAYNNQD-UHFFFAOYSA-N 0 0 291.137 3.693 50 0 CHAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccco1 ZINC000000225810 169580262 /nfs/dbraw/zinc/58/02/62/169580262.db2.gz JSNWREGQSNWPQE-UHFFFAOYSA-N 0 0 256.088 3.839 50 0 CHAARN COc1nc2ccc(C)cc2c(-c2ccccc2)n1 ZINC000000229158 169581058 /nfs/dbraw/zinc/58/10/58/169581058.db2.gz DTUSRJSYXKDFQF-UHFFFAOYSA-N 0 0 250.301 3.614 50 0 CHAARN COc1cccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000000263997 169591140 /nfs/dbraw/zinc/59/11/40/169591140.db2.gz DLNOTUVDXVGKNN-OAHLLOKOSA-N 0 0 296.370 3.717 50 0 CHAARN O=CN1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000000267599 169592156 /nfs/dbraw/zinc/59/21/56/169592156.db2.gz ASSLHYVMEAHWEM-INIZCTEOSA-N 0 0 284.746 3.648 50 0 CHAARN O[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000000270593 169593500 /nfs/dbraw/zinc/59/35/00/169593500.db2.gz WTIWDBNPPSHSCB-CYBMUJFWSA-N 0 0 263.134 3.531 50 0 CHAARN COc1cc(CNc2cc(C)cc(C)c2)cc2c1OCO2 ZINC000000275520 169594744 /nfs/dbraw/zinc/59/47/44/169594744.db2.gz JHERRAOXMKBNKY-UHFFFAOYSA-N 0 0 285.343 3.653 50 0 CHAARN CCOc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000000278222 169595816 /nfs/dbraw/zinc/59/58/16/169595816.db2.gz NTTXMDOOOWQIOI-UHFFFAOYSA-N 0 0 278.735 3.724 50 0 CHAARN COc1cc(OC)c(OC)cc1CNc1cccc(C)c1 ZINC000000279688 169595899 /nfs/dbraw/zinc/59/58/99/169595899.db2.gz IPMGRYHJKDIODQ-UHFFFAOYSA-N 0 0 287.359 3.633 50 0 CHAARN Fc1ccccc1OCc1cnn(-c2ccccc2)c1 ZINC000000308118 169604259 /nfs/dbraw/zinc/60/42/59/169604259.db2.gz ZIPNPCDSTSCSKL-UHFFFAOYSA-N 0 0 268.291 3.590 50 0 CHAARN CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2)cc1 ZINC000000311664 169605134 /nfs/dbraw/zinc/60/51/34/169605134.db2.gz RMRBLLORKPIXTP-QGZVFWFLSA-N 0 0 299.370 3.881 50 0 CHAARN O=C1N[C@@H](c2ccc(Cl)cc2Cl)Oc2ccccc21 ZINC000000324238 169608263 /nfs/dbraw/zinc/60/82/63/169608263.db2.gz GBUZCVHBZZUJAZ-CQSZACIVSA-N 0 0 294.137 3.814 50 0 CHAARN COc1ccc(C)cc1NC(=O)c1ccc(C)cc1 ZINC000000342780 169611993 /nfs/dbraw/zinc/61/19/93/169611993.db2.gz POFMNQAOWHZXCQ-UHFFFAOYSA-N 0 0 255.317 3.564 50 0 CHAARN COc1ccccc1[S@](=O)c1c(C)cc(C)cc1C ZINC000000348822 169614323 /nfs/dbraw/zinc/61/43/23/169614323.db2.gz DBNVRABVHLSFSH-LJQANCHMSA-N 0 0 274.385 3.787 50 0 CHAARN CC(C)COc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000000345992 169612768 /nfs/dbraw/zinc/61/27/68/169612768.db2.gz FVSPNDBFAHNDDS-UHFFFAOYSA-N 0 0 283.371 3.651 50 0 CHAARN C/C(=C1\N=C(c2ccccc2)OC1=O)c1ccc(C)cc1 ZINC000000356689 169616134 /nfs/dbraw/zinc/61/61/34/169616134.db2.gz QFFMBOXLYJKPKE-DTQAZKPQSA-N 0 0 277.323 3.730 50 0 CHAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccncc1 ZINC000000362166 169617532 /nfs/dbraw/zinc/61/75/32/169617532.db2.gz BGYMOCCFNISYIR-UHFFFAOYSA-N 0 0 267.115 3.641 50 0 CHAARN Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccccc2)c(C)c1 ZINC000000364962 169619148 /nfs/dbraw/zinc/61/91/48/169619148.db2.gz FNTGQGRATKJMQC-CVEARBPZSA-N 0 0 297.398 3.948 50 0 CHAARN Cc1ccccc1NC(=O)Cc1c(F)cccc1Cl ZINC000000367294 169619690 /nfs/dbraw/zinc/61/96/90/169619690.db2.gz UEKUEESTRCLIIA-UHFFFAOYSA-N 0 0 277.726 3.969 50 0 CHAARN Cc1ccc2c(c1)[C@@H](N1CCCC1=O)C[C@@H](c1ccco1)N2 ZINC000000377053 169623285 /nfs/dbraw/zinc/62/32/85/169623285.db2.gz NTSCNXBLLONPBI-HOTGVXAUSA-N 0 0 296.370 3.808 50 0 CHAARN COc1ccccc1NC(=O)c1cc(C)cc(C)c1 ZINC000000385066 169625848 /nfs/dbraw/zinc/62/58/48/169625848.db2.gz FONWIBSVHHJKMP-UHFFFAOYSA-N 0 0 255.317 3.564 50 0 CHAARN CC(=O)Nc1ccc(OC(=O)Nc2cc(C)ccc2C)cc1 ZINC000000399300 169630690 /nfs/dbraw/zinc/63/06/90/169630690.db2.gz OPOVRIBPNABPRT-UHFFFAOYSA-N 0 0 298.342 3.873 50 0 CHAARN CCOc1ccccc1OC(=O)Nc1ccc(OC)cc1 ZINC000000401551 169631459 /nfs/dbraw/zinc/63/14/59/169631459.db2.gz YSTSAHOKDLZECB-UHFFFAOYSA-N 0 0 287.315 3.705 50 0 CHAARN O=C(Nc1c(Cl)cccc1Cl)Oc1cccnc1 ZINC000000393291 169628434 /nfs/dbraw/zinc/62/84/34/169628434.db2.gz VFCCINRBJUWUIO-UHFFFAOYSA-N 0 0 283.114 3.999 50 0 CHAARN c1cc(NC2C3CC4CC(C3)CC2C4)cc2c1OCO2 ZINC000000431490 169638928 /nfs/dbraw/zinc/63/89/28/169638928.db2.gz OHOPSESJFDBQQR-UHFFFAOYSA-N 0 0 271.360 3.652 50 0 CHAARN COc1ccc2nc(NC(=O)CC(C)(C)C)sc2c1 ZINC000000455808 169645174 /nfs/dbraw/zinc/64/51/74/169645174.db2.gz OBTMSOMYHRJPNE-UHFFFAOYSA-N 0 0 278.377 3.680 50 0 CHAARN CC(=O)N1N=C(c2cccc3ccccc32)OC12CCCC2 ZINC000000457132 169645343 /nfs/dbraw/zinc/64/53/43/169645343.db2.gz WURFBDJHNYMQIG-UHFFFAOYSA-N 0 0 294.354 3.650 50 0 CHAARN Cc1cc(C)c(C)c(OCC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000000462201 169646918 /nfs/dbraw/zinc/64/69/18/169646918.db2.gz IABHDUCSIGQRCE-INIZCTEOSA-N 0 0 297.398 3.868 50 0 CHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)C1CCCC1 ZINC000000475601 169650821 /nfs/dbraw/zinc/65/08/21/169650821.db2.gz YEBFADLJCFYUIH-UHFFFAOYSA-N 0 0 295.404 3.670 50 0 CHAARN Cc1ccc(C)c(CN2c3ccccc3NC[C@@H](C)C2=O)c1 ZINC000021793443 184536238 /nfs/dbraw/zinc/53/62/38/184536238.db2.gz DTKDDPOYXGTGIF-OAHLLOKOSA-N 0 0 294.398 3.898 50 0 CHAARN CC(C)OC(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000000482273 169652986 /nfs/dbraw/zinc/65/29/86/169652986.db2.gz ANOKHTFTTFPJTN-UHFFFAOYSA-N 0 0 283.327 3.504 50 0 CHAARN CCc1ccccc1NC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000043401655 184557695 /nfs/dbraw/zinc/55/76/95/184557695.db2.gz BVHNCNRYDIZCLM-JSGCOSHPSA-N 0 0 260.381 3.949 50 0 CHAARN CCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000000487769 169654325 /nfs/dbraw/zinc/65/43/25/169654325.db2.gz BKFBGAGULYVCCT-INIZCTEOSA-N 0 0 293.370 3.834 50 0 biogenic CHAARN Fc1cccc(-c2nccc(CCC(F)(F)F)n2)c1 ZINC000071775757 184576663 /nfs/dbraw/zinc/57/66/63/184576663.db2.gz ZEAAXWCBNUHYQR-UHFFFAOYSA-N 0 0 270.229 3.778 50 0 CHAARN CCOC(=O)CCCCOc1cccc2ccccc21 ZINC000071784055 184577095 /nfs/dbraw/zinc/57/70/95/184577095.db2.gz DPWCRXFKSFDMAK-UHFFFAOYSA-N 0 0 272.344 3.952 50 0 CHAARN Cc1c(C)c(=O)oc2c(C)c3c(cc12)CCC(C)(C)O3 ZINC000000491023 169655093 /nfs/dbraw/zinc/65/50/93/169655093.db2.gz GSBLIRJRBZBGIJ-UHFFFAOYSA-N 0 0 272.344 3.822 50 0 biogenic CHAARN COc1ccc(-c2cn3cc(Cl)ccc3n2)cc1OC ZINC000000495090 169655768 /nfs/dbraw/zinc/65/57/68/169655768.db2.gz NSQPYKGCGWBTQN-UHFFFAOYSA-N 0 0 288.734 3.672 50 0 CHAARN Fc1ccc(NC(=S)NCC2CCCCC2)cc1 ZINC000000500449 169657338 /nfs/dbraw/zinc/65/73/38/169657338.db2.gz ZZFNSQPMETUGPA-UHFFFAOYSA-N 0 0 266.385 3.692 50 0 CHAARN COc1ccc2c(=O)cc(-c3ccc(C)cc3)oc2c1 ZINC000000522064 169661614 /nfs/dbraw/zinc/66/16/14/169661614.db2.gz OBNQAKAHHNLJHT-UHFFFAOYSA-N 0 0 266.296 3.777 50 0 biogenic,in-vivo CHAARN CC(C)(C)c1ccc(COC(=O)c2cccnc2)cc1 ZINC000215714252 256854979 /nfs/dbraw/zinc/85/49/79/256854979.db2.gz IOUHXVYJOQMZNZ-UHFFFAOYSA-N 0 0 269.344 3.736 50 0 CHAARN Cc1ccc(-c2nnc(CO[C@H]3CCC[C@H](C)C3)o2)o1 ZINC000521393914 256855086 /nfs/dbraw/zinc/85/50/86/256855086.db2.gz DUIRTUCVOALGLO-JQWIXIFHSA-N 0 0 276.336 3.733 50 0 CHAARN CCOc1ccc2c(C(F)(F)F)cc(=O)oc2c1C ZINC000000452480 256871594 /nfs/dbraw/zinc/87/15/94/256871594.db2.gz XSPLSSQXYLDBEB-UHFFFAOYSA-N 0 0 272.222 3.519 50 0 CHAARN CCCCOc1cc(F)ccc1-c1n[nH]c(C2CC2)n1 ZINC000096166360 256886162 /nfs/dbraw/zinc/88/61/62/256886162.db2.gz BPABCZFFSLOFGT-UHFFFAOYSA-N 0 0 275.327 3.667 50 0 CHAARN CC(=O)c1ccc(NC(=S)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000008756859 260033674 /nfs/dbraw/zinc/03/36/74/260033674.db2.gz HFHNNWOAIVDJRA-VXGBXAGGSA-N 0 0 290.432 3.849 50 0 CHAARN C[C@H](CC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000000860115 169681282 /nfs/dbraw/zinc/68/12/82/169681282.db2.gz WOHXPAZYMPXJEU-CQSZACIVSA-N 0 0 265.356 3.770 50 0 CHAARN COCc1nc2ccccc2n1Cc1cccc(C)c1 ZINC000000572701 169671077 /nfs/dbraw/zinc/67/10/77/169671077.db2.gz YKHYUHITKZMWDP-UHFFFAOYSA-N 0 0 266.344 3.539 50 0 CHAARN Cc1ccc(S[C@H](C)C(=O)Nc2cccnc2)cc1 ZINC000000617824 169676013 /nfs/dbraw/zinc/67/60/13/169676013.db2.gz NENPOBLHIWMBCG-GFCCVEGCSA-N 0 0 272.373 3.509 50 0 CHAARN O=C(OCc1nc2ccccc2s1)c1cccs1 ZINC000001051094 169687281 /nfs/dbraw/zinc/68/72/81/169687281.db2.gz RSQVWMYGKZSWDB-UHFFFAOYSA-N 0 0 275.354 3.715 50 0 CHAARN COc1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1 ZINC000001062132 169688760 /nfs/dbraw/zinc/68/87/60/169688760.db2.gz AEYORBABXDPHDX-UHFFFAOYSA-N 0 0 295.382 3.755 50 0 CHAARN COC(=O)c1ccc(-c2cccc(Br)c2)cc1 ZINC000001259163 169693355 /nfs/dbraw/zinc/69/33/55/169693355.db2.gz GTZWFAKNQXXWHV-UHFFFAOYSA-N 0 0 291.144 3.903 50 0 CHAARN CC1=C(c2ccccc2)C(=O)N[C@H](c2ccccc2)C1 ZINC000001277576 169693791 /nfs/dbraw/zinc/69/37/91/169693791.db2.gz OYAPTRCPKHYDSF-INIZCTEOSA-N 0 0 263.340 3.721 50 0 CHAARN CC(C)c1cc(NCCn2ccc3ccccc32)ncn1 ZINC000095378897 184959779 /nfs/dbraw/zinc/95/97/79/184959779.db2.gz IVPZTRNGPJVRFL-UHFFFAOYSA-N 0 0 280.375 3.667 50 0 CHAARN CCCCNc1cc(OCC)c(Br)cc1N ZINC000095217893 184947686 /nfs/dbraw/zinc/94/76/86/184947686.db2.gz VXAVCDHITSTTGT-UHFFFAOYSA-N 0 0 287.201 3.642 50 0 CHAARN Cc1cc(CSCc2ccn(-c3ccccc3)n2)on1 ZINC000095351475 184950012 /nfs/dbraw/zinc/95/00/12/184950012.db2.gz PJXQTYOQSUZYPJ-UHFFFAOYSA-N 0 0 285.372 3.602 50 0 CHAARN COC(=O)c1ccc2ccccc2c1OCc1ncc(C)o1 ZINC000095402937 184968268 /nfs/dbraw/zinc/96/82/68/184968268.db2.gz GHSSVWQAAISZKN-UHFFFAOYSA-N 0 0 297.310 3.502 50 0 CHAARN Cc1ccc(CNc2ccn(CCc3ccncc3)n2)s1 ZINC000095415574 184973339 /nfs/dbraw/zinc/97/33/39/184973339.db2.gz BCMREEUSRCKIGT-UHFFFAOYSA-N 0 0 298.415 3.503 50 0 CHAARN Cc1ccc([C@@H](C)[C@H](O)C(=O)Nc2cccc(C)c2C)cc1 ZINC000095449978 184989028 /nfs/dbraw/zinc/98/90/28/184989028.db2.gz PHFCNMHYVURLJJ-QAPCUYQASA-N 0 0 297.398 3.715 50 0 CHAARN CC(=O)C(Cc1cccc(F)c1)Cc1cccc(F)c1 ZINC000001392904 169699915 /nfs/dbraw/zinc/69/99/15/169699915.db2.gz VCOMQVGHINMKPE-UHFFFAOYSA-N 0 0 274.310 3.955 50 0 CHAARN c1ccc(-c2ncc3c(n2)-c2ccccc2CC3)cc1 ZINC000001401051 169702030 /nfs/dbraw/zinc/70/20/30/169702030.db2.gz LXKBNVFKTUVRNQ-UHFFFAOYSA-N 0 0 258.324 3.909 50 0 CHAARN CCc1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1 ZINC000001469761 169708366 /nfs/dbraw/zinc/70/83/66/169708366.db2.gz WFFCINYGPKVRNQ-ZDUSSCGKSA-N 0 0 299.370 3.664 50 0 CHAARN O=C(Nc1ccc(SC(F)F)cc1)c1cccnc1 ZINC000001517765 169711053 /nfs/dbraw/zinc/71/10/53/169711053.db2.gz CVGBERCTUQEDBX-UHFFFAOYSA-N 0 0 280.299 3.649 50 0 CHAARN Cc1ccc2c(c1)CCCN2C(=O)Cc1cccs1 ZINC000001056138 134531694 /nfs/dbraw/zinc/53/16/94/134531694.db2.gz ZTWNQISGNXMLBH-UHFFFAOYSA-N 0 0 271.385 3.578 50 0 CHAARN CCC[C@@H]1C[C@H](C)C(=O)N(c2ccccc2Cl)C1=O ZINC000001876876 134638586 /nfs/dbraw/zinc/63/85/86/134638586.db2.gz KYLXXYQOAAEJPB-WDEREUQCSA-N 0 0 279.767 3.656 50 0 CHAARN O=C1CC2(CCCC2)CC(=O)N1c1cccc(Cl)c1 ZINC000002452880 134640069 /nfs/dbraw/zinc/64/00/69/134640069.db2.gz VFJNOXFICXSGPC-UHFFFAOYSA-N 0 0 277.751 3.554 50 0 CHAARN Cc1ccc2c(c1)c1ncnc(N3CCC[C@H](C)C3)c1n2C ZINC000005490030 134656907 /nfs/dbraw/zinc/65/69/07/134656907.db2.gz ZJPYKGTWLHTNEA-ZDUSSCGKSA-N 0 0 294.402 3.666 50 0 CHAARN O=C(Nc1ccccc1N1CCCCC1)c1ccoc1 ZINC000024467345 134745128 /nfs/dbraw/zinc/74/51/28/134745128.db2.gz XXFLVIPVLQFXFK-UHFFFAOYSA-N 0 0 270.332 3.522 50 0 CHAARN CC1CCN(c2nccn3nc(-c4cccs4)cc23)CC1 ZINC000067285176 134939503 /nfs/dbraw/zinc/93/95/03/134939503.db2.gz PSOCZXSTRNRNGI-UHFFFAOYSA-N 0 0 298.415 3.694 50 0 CHAARN O=C1Cc2ccccc2C(=O)N1c1ccc2ccccc2c1 ZINC000071772397 134976804 /nfs/dbraw/zinc/97/68/04/134976804.db2.gz MEUFPBGEYOOEMV-UHFFFAOYSA-N 0 0 287.318 3.569 50 0 CHAARN CCOC(=O)CCCCCC(=O)c1cc(C)cc(C)c1 ZINC000002378895 169788280 /nfs/dbraw/zinc/78/82/80/169788280.db2.gz PNGQSVMRBBNEQC-UHFFFAOYSA-N 0 0 276.376 4.000 50 0 CHAARN COC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002386355 169789738 /nfs/dbraw/zinc/78/97/38/169789738.db2.gz MRGWQPMEUHGQRY-NSCUHMNNSA-N 0 0 298.182 3.910 50 0 CHAARN C[C@]12CCO[C@H]1N(c1ccccc1)c1ccccc12 ZINC000002475164 169793917 /nfs/dbraw/zinc/79/39/17/169793917.db2.gz LYEMDWOVMXRHTL-IAGOWNOFSA-N 0 0 251.329 3.842 50 0 CHAARN CCC[C@@H](C)NC(=O)C1(c2ccccc2)CCCC1 ZINC000002512738 169797833 /nfs/dbraw/zinc/79/78/33/169797833.db2.gz FWGGODQHDRBACN-CQSZACIVSA-N 0 0 259.393 3.803 50 0 CHAARN COc1ccc(C(=O)CCc2ccc(F)cc2)cc1 ZINC000002517373 169799871 /nfs/dbraw/zinc/79/98/71/169799871.db2.gz RZSZPMGLWZECGV-UHFFFAOYSA-N 0 0 258.292 3.650 50 0 CHAARN CN(C(=O)NC(C)(C)c1ccccc1)c1ccccc1 ZINC000002558061 169808522 /nfs/dbraw/zinc/80/85/22/169808522.db2.gz FMINYZXVCTYSNY-UHFFFAOYSA-N 0 0 268.360 3.768 50 0 in-vitro CHAARN CCOC(=O)[C@@H](C)Oc1ccc(C(C)(C)CC)cc1 ZINC000002732090 169822704 /nfs/dbraw/zinc/82/27/04/169822704.db2.gz JZXVHBFBHOLGQT-GFCCVEGCSA-N 0 0 264.365 3.705 50 0 CHAARN CCCCN(CCCC)C(=O)c1ccc(OC)cc1 ZINC000002736822 169823572 /nfs/dbraw/zinc/82/35/72/169823572.db2.gz WGPLHXDDNOKVTQ-UHFFFAOYSA-N 0 0 263.381 3.738 50 0 CHAARN CCCCOCCCNC(=O)/C=C/c1ccccc1Cl ZINC000002739588 169823999 /nfs/dbraw/zinc/82/39/99/169823999.db2.gz IIIBAWVGXUIUKH-MDZDMXLPSA-N 0 0 295.810 3.676 50 0 CHAARN CCc1noc(C)c1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000002749282 169825366 /nfs/dbraw/zinc/82/53/66/169825366.db2.gz FBGJJXPVBBXMAE-UHFFFAOYSA-N 0 0 298.264 3.817 50 0 CHAARN COc1ccc(CNC(=O)c2csc3ccccc23)cc1 ZINC000002764350 169827189 /nfs/dbraw/zinc/82/71/89/169827189.db2.gz UAZMVGZEEMBPFP-UHFFFAOYSA-N 0 0 297.379 3.840 50 0 CHAARN Cc1occc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000002767588 169827970 /nfs/dbraw/zinc/82/79/70/169827970.db2.gz FWVJOWNMEZIAEC-UHFFFAOYSA-N 0 0 283.371 3.683 50 0 CHAARN Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000002783902 169830833 /nfs/dbraw/zinc/83/08/33/169830833.db2.gz AGGSIEONHNHNID-RYUDHWBXSA-N 0 0 299.271 3.991 50 0 CHAARN O=C(NC1CCCCCC1)c1cc(-c2cccs2)on1 ZINC000002802977 169832912 /nfs/dbraw/zinc/83/29/12/169832912.db2.gz WJFXIEZRMBLSPG-UHFFFAOYSA-N 0 0 290.388 3.856 50 0 CHAARN CCCc1ccc(OCCNC(=O)c2ccc(C)cc2)cc1 ZINC000002873315 169839962 /nfs/dbraw/zinc/83/99/62/169839962.db2.gz YWYJLVITOZAZSO-UHFFFAOYSA-N 0 0 297.398 3.756 50 0 CHAARN CSc1ccccc1C(=O)Nc1cccc([C@@H](C)O)c1 ZINC000002877150 169840218 /nfs/dbraw/zinc/84/02/18/169840218.db2.gz ULNGVBWNGWYMAV-LLVKDONJSA-N 0 0 287.384 3.714 50 0 CHAARN CCCCn1c(C)c(C(C)=O)c2cc(OC)ccc21 ZINC000002912858 169844242 /nfs/dbraw/zinc/84/42/42/169844242.db2.gz WLTIADNGZPNUBP-UHFFFAOYSA-N 0 0 259.349 3.961 50 0 CHAARN O=C1CSCN1c1ccc(Oc2ccccc2)cc1 ZINC000003016161 169849863 /nfs/dbraw/zinc/84/98/63/169849863.db2.gz YOIHADJWWIAWGL-UHFFFAOYSA-N 0 0 271.341 3.516 50 0 CHAARN O=C(Nc1ccc(SC(F)(F)F)cc1)c1ccccn1 ZINC000003066903 169851901 /nfs/dbraw/zinc/85/19/01/169851901.db2.gz SNKDHYGIZNNNCR-UHFFFAOYSA-N 0 0 298.289 3.946 50 0 CHAARN c1ccc2sc(COc3ncnc4ccccc43)nc2c1 ZINC000003266678 169874018 /nfs/dbraw/zinc/87/40/18/169874018.db2.gz LEMFOTIEWSAJND-UHFFFAOYSA-N 0 0 293.351 3.819 50 0 CHAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)OCc1cccs1 ZINC000003299225 169876397 /nfs/dbraw/zinc/87/63/97/169876397.db2.gz ICAUQQYJZZYYEG-SNVBAGLBSA-N 0 0 296.775 3.912 50 0 CHAARN CCOc1ccc(C(=O)Nc2cc(F)ccc2C)cc1 ZINC000003301513 169876703 /nfs/dbraw/zinc/87/67/03/169876703.db2.gz NFIOTKOYKCCVTQ-UHFFFAOYSA-N 0 0 273.307 3.785 50 0 CHAARN C[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000003454984 169889476 /nfs/dbraw/zinc/88/94/76/169889476.db2.gz MAPCDSWAEFTVIT-MLGOLLRUSA-N 0 0 251.329 3.948 50 0 aggregator CHAARN CC(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1 ZINC000003479655 169891031 /nfs/dbraw/zinc/89/10/31/169891031.db2.gz RYYIHNUAOYOJBN-UHFFFAOYSA-N 0 0 291.709 3.934 50 0 CHAARN O=C(Nc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000003480903 169891092 /nfs/dbraw/zinc/89/10/92/169891092.db2.gz LELDAAFCBOFTBB-UHFFFAOYSA-N 0 0 263.243 3.540 50 0 CHAARN COc1ccccc1C(=O)Nc1ccccc1OC(F)F ZINC000003550669 169896221 /nfs/dbraw/zinc/89/62/21/169896221.db2.gz ZNRIUQYOSCLOBB-UHFFFAOYSA-N 0 0 293.269 3.549 50 0 CHAARN O=C(Cc1ccc(Cl)cc1)Nc1ccc(F)cc1F ZINC000003561561 169897256 /nfs/dbraw/zinc/89/72/56/169897256.db2.gz UCJPJHUEBGPQFC-UHFFFAOYSA-N 0 0 281.689 3.799 50 0 CHAARN CCc1ccc(C(=O)Nc2cc(F)ccc2C)cc1 ZINC000003566387 169898351 /nfs/dbraw/zinc/89/83/51/169898351.db2.gz RCYCXASSRRFVBB-UHFFFAOYSA-N 0 0 257.308 3.949 50 0 CHAARN COc1ccccc1C(=O)Nc1ccc(Cl)cc1F ZINC000003611902 169902330 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297.196 3.855 50 0 CHAARN COc1ccc(C2=CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000040119711 174193278 /nfs/dbraw/zinc/19/32/78/174193278.db2.gz BGMLWAMZHSLMKN-UHFFFAOYSA-N 0 0 293.366 3.625 50 0 CHAARN Cc1ccccc1NCCC(=O)Nc1ccc(F)cc1F ZINC000040160520 174195342 /nfs/dbraw/zinc/19/53/42/174195342.db2.gz RMPPMDYPTJAZRU-UHFFFAOYSA-N 0 0 290.313 3.714 50 0 CHAARN Cn1c(SCc2ccc(Cl)s2)nnc1C1CC1 ZINC000040159112 174195397 /nfs/dbraw/zinc/19/53/97/174195397.db2.gz QNCSONDVNJDMCK-UHFFFAOYSA-N 0 0 285.825 3.700 50 0 CHAARN CSc1ccc(CN(C)C(=O)c2cccs2)cc1 ZINC000040159573 174195730 /nfs/dbraw/zinc/19/57/30/174195730.db2.gz ULLOLDUFSIYWEI-UHFFFAOYSA-N 0 0 277.414 3.742 50 0 CHAARN CCCCCC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000040160280 174195763 /nfs/dbraw/zinc/19/57/63/174195763.db2.gz ZGWQTYGIHFTNHB-UHFFFAOYSA-N 0 0 273.298 3.902 50 0 CHAARN Fc1cccc(Cl)c1-c1nn2c(nnc2C2CC2)s1 ZINC000040284458 174219085 /nfs/dbraw/zinc/21/90/85/174219085.db2.gz XRRCFZSQPYACOX-UHFFFAOYSA-N 0 0 294.742 3.523 50 0 CHAARN Nc1ccc(-c2nnc(-c3ccccc3)o2)c(Cl)c1 ZINC000040350868 174244525 /nfs/dbraw/zinc/24/45/25/174244525.db2.gz XRHJRVCXGMCEBA-UHFFFAOYSA-N 0 0 271.707 3.639 50 0 CHAARN Nc1c(Cl)ncnc1Oc1cc(Cl)ccc1Cl ZINC000040428530 174258933 /nfs/dbraw/zinc/25/89/33/174258933.db2.gz HVFDISPEIFEEEA-UHFFFAOYSA-N 0 0 290.537 3.811 50 0 CHAARN Cc1nc(CNc2ccc(Cl)cc2F)oc1C ZINC000042589787 174810624 /nfs/dbraw/zinc/81/06/24/174810624.db2.gz BHQXYCHNMDUHMZ-UHFFFAOYSA-N 0 0 254.692 3.696 50 0 CHAARN CC(=O)Oc1ccc(C(=O)c2ccc(C(C)C)cc2)cc1 ZINC000043209945 174983816 /nfs/dbraw/zinc/98/38/16/174983816.db2.gz UFLFZEFDPBHEJW-UHFFFAOYSA-N 0 0 282.339 3.966 50 0 CHAARN CC(C)NC(=S)N[C@H](c1cccs1)C1CCCC1 ZINC000044079682 175141256 /nfs/dbraw/zinc/14/12/56/175141256.db2.gz UISVXZFYDKUMID-ZDUSSCGKSA-N 0 0 282.478 3.852 50 0 CHAARN CC[C@@H](C)NC(=O)CSCc1ccc(Cl)s1 ZINC000044715658 175236308 /nfs/dbraw/zinc/23/63/08/175236308.db2.gz QAJFOTGTRGKZDV-MRVPVSSYSA-N 0 0 277.842 3.549 50 0 CHAARN Cc1noc(C)c1CN(Cc1cccs1)C1CC1 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/nfs/dbraw/zinc/38/69/47/175386947.db2.gz OZZZCWHEGJULHH-SECBINFHSA-N 0 0 273.298 3.929 50 0 CHAARN Cc1cccc(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c1 ZINC000045948880 175388494 /nfs/dbraw/zinc/38/84/94/175388494.db2.gz YLPJYTXVQRDULX-GOEBONIOSA-N 0 0 290.407 3.712 50 0 CHAARN CCc1ccc(C(=O)N(Cc2ccncc2)C2CC2)s1 ZINC000046043189 175390698 /nfs/dbraw/zinc/39/06/98/175390698.db2.gz SPFUCHUKUSWHBS-UHFFFAOYSA-N 0 0 286.400 3.510 50 0 CHAARN CC/C=C(\C)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000046041728 175390961 /nfs/dbraw/zinc/39/09/61/175390961.db2.gz YCBFSJZQULQXSH-WEVVVXLNSA-N 0 0 257.786 3.716 50 0 CHAARN CCC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000047277628 175406050 /nfs/dbraw/zinc/40/60/50/175406050.db2.gz CDCSGJXKMRSJRR-UHFFFAOYSA-N 0 0 299.418 3.658 50 0 CHAARN CC[C@H](C)NC(=O)Nc1cc(NC(=O)C(C)C)ccc1C ZINC000048256123 175423368 /nfs/dbraw/zinc/42/33/68/175423368.db2.gz XGHYIFSECLHDAW-LBPRGKRZSA-N 0 0 291.395 3.510 50 0 CHAARN C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000048325079 175427453 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/nfs/dbraw/zinc/65/98/53/175659853.db2.gz JQFBIBWDPWZRBO-UHFFFAOYSA-N 0 0 289.338 3.912 50 0 biogenic CHAARN CCc1ccc(-c2csc(CCCOC)n2)cc1 ZINC000063630252 175687898 /nfs/dbraw/zinc/68/78/98/175687898.db2.gz UGIALYDEAJNSIK-UHFFFAOYSA-N 0 0 261.390 3.952 50 0 CHAARN Cc1ccc(-c2nnc(Cc3ccc(F)cc3)o2)s1 ZINC000064556975 175696189 /nfs/dbraw/zinc/69/61/89/175696189.db2.gz OELOWXNNJVXTHF-UHFFFAOYSA-N 0 0 274.320 3.836 50 0 CHAARN CC(C)CCNC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000064580017 175696599 /nfs/dbraw/zinc/69/65/99/175696599.db2.gz WRZGGJJSYOZDET-HNNXBMFYSA-N 0 0 278.371 3.718 50 0 CHAARN COc1ccc(C)cc1NC(=O)n1ncc2ccc(C)cc21 ZINC000064662712 175697223 /nfs/dbraw/zinc/69/72/23/175697223.db2.gz QABZLQQJTBDTJJ-UHFFFAOYSA-N 0 0 295.342 3.742 50 0 CHAARN Cc1ccc(-c2nc(C(=O)NC3CCCC3)cs2)s1 ZINC000064676444 175697825 /nfs/dbraw/zinc/69/78/25/175697825.db2.gz CJNBIKZDGAYJGD-UHFFFAOYSA-N 0 0 292.429 3.852 50 0 CHAARN Cc1nnc2c(Oc3ccccc3)nc3ccc(C)cc3n12 ZINC000065096493 175700826 /nfs/dbraw/zinc/70/08/26/175700826.db2.gz OUVGSKHTGBEZSR-UHFFFAOYSA-N 0 0 290.326 3.687 50 0 CHAARN Cc1ccc(CC(=O)Nc2cc(-c3cccs3)no2)cc1 ZINC000065152977 175701287 /nfs/dbraw/zinc/70/12/87/175701287.db2.gz LORVBVQZVNHDGJ-UHFFFAOYSA-N 0 0 298.367 3.893 50 0 CHAARN c1coc(Cn2cnc(-c3ccccc3)c2[C@@H]2CCOC2)c1 ZINC000065508325 175745789 /nfs/dbraw/zinc/74/57/89/175745789.db2.gz IJSNUVJASSKTMV-OAHLLOKOSA-N 0 0 294.354 3.695 50 0 CHAARN O=C(Nc1ccc(Cl)cn1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000067030288 175768615 /nfs/dbraw/zinc/76/86/15/175768615.db2.gz AJFJKCYTLANBIX-STQMWFEESA-N 0 0 290.725 3.616 50 0 CHAARN O=C(Nc1nc2cccc(Cl)c2o1)c1cccc(F)c1 ZINC000067631100 175779747 /nfs/dbraw/zinc/77/97/47/175779747.db2.gz NEJVZQOSCQHGMN-UHFFFAOYSA-N 0 0 290.681 3.873 50 0 CHAARN CCCC(CCC)C(=O)NCCc1cccs1 ZINC000068741093 175814067 /nfs/dbraw/zinc/81/40/67/175814067.db2.gz IALBECJWDYXGMB-UHFFFAOYSA-N 0 0 253.411 3.623 50 0 CHAARN CC(C)n1nccc1NC(=O)c1ccc(F)cc1Cl ZINC000069057097 175818532 /nfs/dbraw/zinc/81/85/32/175818532.db2.gz KPYOGYYGABLOOA-UHFFFAOYSA-N 0 0 281.718 3.509 50 0 CHAARN CCOCc1cccc(NC(=O)[C@@H](OC)c2ccccc2)c1 ZINC000069528170 175836990 /nfs/dbraw/zinc/83/69/90/175836990.db2.gz UGDHONUCHCOZLR-KRWDZBQOSA-N 0 0 299.370 3.549 50 0 CHAARN Cc1ccccc1[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000069873973 175859237 /nfs/dbraw/zinc/85/92/37/175859237.db2.gz DXORNEOQPBBWCL-JKSUJKDBSA-N 0 0 269.388 3.667 50 0 CHAARN Cn1ccc2ccc(C(=O)Nc3cccc4[nH]ccc43)cc21 ZINC000070666627 176000139 /nfs/dbraw/zinc/00/01/39/176000139.db2.gz HFSHOJPGSWBLFD-UHFFFAOYSA-N 0 0 289.338 3.912 50 0 biogenic CHAARN Cc1ccc(C)c(CSc2ccc(-n3ccnc3)nn2)c1 ZINC000070688614 176001629 /nfs/dbraw/zinc/00/16/29/176001629.db2.gz VJYSVYAYHFFTCV-UHFFFAOYSA-N 0 0 296.399 3.571 50 0 CHAARN Cc1cc2c(nc1C)oc1c2ncnc1NCc1ccco1 ZINC000071280503 176108704 /nfs/dbraw/zinc/10/87/04/176108704.db2.gz TXROSZANFMMDQV-UHFFFAOYSA-N 0 0 294.314 3.593 50 0 CHAARN C[C@@]12CCCN1c1ccccc1C(=O)N2Cc1ccccc1 ZINC000071375409 176140776 /nfs/dbraw/zinc/14/07/76/176140776.db2.gz AGGZNHZDPVJPAL-LJQANCHMSA-N 0 0 292.382 3.659 50 0 CHAARN C[C@@H](c1nccn1CCc1ccncc1)c1ccccc1 ZINC000071404053 176155212 /nfs/dbraw/zinc/15/52/12/176155212.db2.gz YFJHEXWKQMNZPS-OAHLLOKOSA-N 0 0 277.371 3.673 50 0 CHAARN O=C(c1ccc2cc[nH]c2c1)N1C[C@H]2[C@@H](C1)C1CCC2CC1 ZINC000071405641 176155929 /nfs/dbraw/zinc/15/59/29/176155929.db2.gz BCRWGMUUCPDJKF-QDIASNEPSA-N 0 0 294.398 3.676 50 0 CHAARN CC1=CC[C@@H]2CN(C(=O)Cc3c[nH]c4ccccc34)C[C@@H]2C1 ZINC000071575758 176203341 /nfs/dbraw/zinc/20/33/41/176203341.db2.gz NCTLCZPYQALLLI-ZBFHGGJFSA-N 0 0 294.398 3.525 50 0 CHAARN Fc1ccc(-c2ccc(N3C[C@@H]4CC=CC[C@@H]4C3)nn2)cc1 ZINC000071749356 176259715 /nfs/dbraw/zinc/25/97/15/176259715.db2.gz QAXCLYSKSCXZKN-GASCZTMLSA-N 0 0 295.361 3.685 50 0 CHAARN Cc1ccc(C)c(Cc2nn3c(nnc3C(C)C)s2)c1 ZINC000071759507 176261467 /nfs/dbraw/zinc/26/14/67/176261467.db2.gz AFMJFHLBERDBFD-UHFFFAOYSA-N 0 0 286.404 3.517 50 0 CHAARN CC(C)c1nnc2sc(Cc3ccccc3Cl)nn21 ZINC000071765319 176262110 /nfs/dbraw/zinc/26/21/10/176262110.db2.gz VQYHBXBGDRFPKZ-UHFFFAOYSA-N 0 0 292.795 3.553 50 0 CHAARN COc1ccc(CN(C)Cc2ncc(C(C)(C)C)o2)cc1 ZINC000071802063 176266098 /nfs/dbraw/zinc/26/60/98/176266098.db2.gz ZUMQAUOZJRPUFP-UHFFFAOYSA-N 0 0 288.391 3.613 50 0 CHAARN C[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000071834972 176273585 /nfs/dbraw/zinc/27/35/85/176273585.db2.gz ULCFTQGTDPGGAQ-KGYLQXTDSA-N 0 0 287.384 3.591 50 0 CHAARN O=C(Nc1cccc(C(F)(F)F)n1)c1ccc(Cl)o1 ZINC000071854117 176278056 /nfs/dbraw/zinc/27/80/56/176278056.db2.gz WBGBYXMMJRHESY-UHFFFAOYSA-N 0 0 290.628 3.599 50 0 CHAARN C[C@@H](Sc1ccccn1)C(=O)NCCC1=CCCCC1 ZINC000071877677 176286589 /nfs/dbraw/zinc/28/65/89/176286589.db2.gz NCOTTZVIAWVONW-CYBMUJFWSA-N 0 0 290.432 3.569 50 0 CHAARN CCc1nc(SCc2cc(C)nc3ccccc23)n[nH]1 ZINC000071905482 176296528 /nfs/dbraw/zinc/29/65/28/176296528.db2.gz HFNWLYHGIWROBF-UHFFFAOYSA-N 0 0 284.388 3.516 50 0 CHAARN CCc1noc(CS[C@H](C)c2cccs2)n1 ZINC000071915142 176298664 /nfs/dbraw/zinc/29/86/64/176298664.db2.gz XZKZUDSXZNAKOD-MRVPVSSYSA-N 0 0 254.380 3.688 50 0 CHAARN Cc1nc(CN2CCC(CCc3ccccc3)CC2)co1 ZINC000072154107 176327964 /nfs/dbraw/zinc/32/79/64/176327964.db2.gz KVUSYJRYDGBJJL-UHFFFAOYSA-N 0 0 284.403 3.828 50 0 CHAARN Cc1c[nH]c(-c2c[nH]nc2-c2cc3ccccc3o2)n1 ZINC000072169688 176332631 /nfs/dbraw/zinc/33/26/31/176332631.db2.gz DPBRQKMDVBHOCM-UHFFFAOYSA-N 0 0 264.288 3.521 50 0 CHAARN CC[C@H](Nc1cc(C(C)C)nc2ccnn21)c1cccnc1 ZINC000072172741 176333716 /nfs/dbraw/zinc/33/37/16/176333716.db2.gz BLTKJNFUURJYGR-AWEZNQCLSA-N 0 0 295.390 3.811 50 0 CHAARN Cc1ncc(NC(=O)NC2CCCCC2)c(C)c1Cl ZINC000072264661 176351705 /nfs/dbraw/zinc/35/17/05/176351705.db2.gz SPHLCPSAMHBWMD-UHFFFAOYSA-N 0 0 281.787 3.806 50 0 CHAARN Cc1csc([C@@H]2CCCCN2C(=O)c2ccoc2C)n1 ZINC000072273743 176355757 /nfs/dbraw/zinc/35/57/57/176355757.db2.gz PRTNFHUZWCZZLZ-ZDUSSCGKSA-N 0 0 290.388 3.720 50 0 CHAARN C/C=C/c1ccc(OCc2nccn2C(F)F)c(OC)c1 ZINC000072281713 176359110 /nfs/dbraw/zinc/35/91/10/176359110.db2.gz VLRMBKQLZOCGFY-ONEGZZNKSA-N 0 0 294.301 3.899 50 0 CHAARN O=c1ccn(Cc2cccc3cccnc32)c2ccccc12 ZINC000072289836 176361748 /nfs/dbraw/zinc/36/17/48/176361748.db2.gz OFHKXLRXDHHCAW-UHFFFAOYSA-N 0 0 286.334 3.598 50 0 CHAARN CCCc1ccc(S(=O)(=O)Nc2ccsc2)cc1 ZINC000072301064 176365047 /nfs/dbraw/zinc/36/50/47/176365047.db2.gz WVZRSNHRTPBJSM-UHFFFAOYSA-N 0 0 281.402 3.501 50 0 CHAARN CCOc1cc(C)ccc1NC(=O)N1CCC12CCC2 ZINC000072313591 176368291 /nfs/dbraw/zinc/36/82/91/176368291.db2.gz AIXXIJFCDYMAJP-UHFFFAOYSA-N 0 0 274.364 3.554 50 0 CHAARN O=C(NCc1ccc(F)cc1Cl)c1ccc(F)cc1F ZINC000072331686 176370164 /nfs/dbraw/zinc/37/01/64/176370164.db2.gz KIKMXNVFGOEIJQ-UHFFFAOYSA-N 0 0 299.679 3.687 50 0 CHAARN CCc1ccc(CNC(=O)c2ccc(CC)cc2)cc1 ZINC000072331619 176370181 /nfs/dbraw/zinc/37/01/81/176370181.db2.gz LQGCCJZRLKZTHL-UHFFFAOYSA-N 0 0 267.372 3.741 50 0 CHAARN O=C(NC1CCCCCC1)c1c[nH]nc1-c1cccs1 ZINC000072329437 176370284 /nfs/dbraw/zinc/37/02/84/176370284.db2.gz QWICAHRMFHOLIX-UHFFFAOYSA-N 0 0 289.404 3.591 50 0 CHAARN O=C(NCc1cc(F)cc(F)c1)c1cc(F)ccc1Cl ZINC000072331786 176370558 /nfs/dbraw/zinc/37/05/58/176370558.db2.gz YQUFZJNWMYBGMK-UHFFFAOYSA-N 0 0 299.679 3.687 50 0 CHAARN Fc1ccc(-c2n[nH]cc2-c2nc3ccccc3[nH]2)c(F)c1 ZINC000072411027 176398343 /nfs/dbraw/zinc/39/83/43/176398343.db2.gz OKEZHPJOAFLYRE-UHFFFAOYSA-N 0 0 296.280 3.898 50 0 CHAARN C[C@@H](c1nccn1Cc1ccc(O)cc1)c1ccccc1 ZINC000072411721 176399055 /nfs/dbraw/zinc/39/90/55/176399055.db2.gz UIFNFFASTATTEJ-CQSZACIVSA-N 0 0 278.355 3.789 50 0 CHAARN Cc1ccc(-c2nccn2-c2ccc3[nH]ccc3c2)o1 ZINC000072431464 176402715 /nfs/dbraw/zinc/40/27/15/176402715.db2.gz DHAUFBAMLPXCOX-UHFFFAOYSA-N 0 0 263.300 3.922 50 0 CHAARN COc1cccc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000074934341 176637074 /nfs/dbraw/zinc/63/70/74/176637074.db2.gz QLUISBKTHWCQPO-UHFFFAOYSA-N 0 0 253.223 3.776 50 0 CHAARN O=C([C@H]1CC=CCC1)N1CCC(c2ccsc2)CC1 ZINC000075157194 176668256 /nfs/dbraw/zinc/66/82/56/176668256.db2.gz CQQAUFXOJWCFJG-AWEZNQCLSA-N 0 0 275.417 3.810 50 0 CHAARN COc1ccc2[nH]c(C(=O)Nc3ccccc3F)cc2c1 ZINC000075337192 176688341 /nfs/dbraw/zinc/68/83/41/176688341.db2.gz FDEYLJUCHMYTAL-UHFFFAOYSA-N 0 0 284.290 3.568 50 0 CHAARN O=C(CCc1ccc2[nH]ccc2c1)NCc1ccc(F)cc1 ZINC000075550703 176730578 /nfs/dbraw/zinc/73/05/78/176730578.db2.gz WQDZXYMFXLUCBU-UHFFFAOYSA-N 0 0 296.345 3.556 50 0 CHAARN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cscn1 ZINC000078482646 177345286 /nfs/dbraw/zinc/34/52/86/177345286.db2.gz NDWPBUNMTYMLHP-LBPRGKRZSA-N 0 0 288.416 3.629 50 0 CHAARN Cc1nc(SCC(C)(C)O)n(C2CCCCC2)c1C ZINC000078489812 177346748 /nfs/dbraw/zinc/34/67/48/177346748.db2.gz FFEDWCBIYQQQMJ-UHFFFAOYSA-N 0 0 282.453 3.868 50 0 CHAARN CC(C)c1nc(CNCc2cccc(N(C)C)c2)cs1 ZINC000078552639 177353423 /nfs/dbraw/zinc/35/34/23/177353423.db2.gz KVRZXYVJJUTGCY-UHFFFAOYSA-N 0 0 289.448 3.622 50 0 CHAARN COc1cccc(C[S@](=O)[C@@H](C)c2ccc(F)cc2)c1 ZINC000078556270 177353808 /nfs/dbraw/zinc/35/38/08/177353808.db2.gz CROJLQIRSROQEA-FKIZINRSSA-N 0 0 292.375 3.844 50 0 CHAARN CC(C)C(NC(=O)CSCc1ccccc1F)C(C)C ZINC000078582110 177356342 /nfs/dbraw/zinc/35/63/42/177356342.db2.gz ORMBVLPQVKEUJX-UHFFFAOYSA-N 0 0 297.439 3.856 50 0 CHAARN COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C1CCC1 ZINC000078652173 177366689 /nfs/dbraw/zinc/36/66/89/177366689.db2.gz WHVNNGNAPHATPW-UHFFFAOYSA-N 0 0 295.404 3.571 50 0 CHAARN Cc1noc(C)c1NC(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000078657423 177367370 /nfs/dbraw/zinc/36/73/70/177367370.db2.gz CKPHHSQDQFKGBU-NSHDSACASA-N 0 0 287.363 3.791 50 0 CHAARN C[C@H](NC(=O)[C@H]1CC=CCC1)C(C)(C)c1ccccc1 ZINC000078743199 177380642 /nfs/dbraw/zinc/38/06/42/177380642.db2.gz QLUUWDDYAWURJA-GJZGRUSLSA-N 0 0 271.404 3.825 50 0 CHAARN COC(=O)C[C@@H](C)SCc1coc(-c2ccccc2)n1 ZINC000078812550 177391625 /nfs/dbraw/zinc/39/16/25/177391625.db2.gz WDDZPMUFJRPMIX-LLVKDONJSA-N 0 0 291.372 3.526 50 0 CHAARN CC(C)n1ncc2c1NC(=O)CS[C@@H]2C(C)(C)C ZINC000079478425 177498433 /nfs/dbraw/zinc/49/84/33/177498433.db2.gz JDGPFDHENDZSED-NSHDSACASA-N 0 0 267.398 3.886 50 0 CHAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(F)ccc2C)c1C ZINC000002622877 260009766 /nfs/dbraw/zinc/00/97/66/260009766.db2.gz VUPBQPQJZHDLKM-UHFFFAOYSA-N 0 0 288.322 3.534 50 0 CHAARN CS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000016488690 260099505 /nfs/dbraw/zinc/09/95/05/260099505.db2.gz YGOFDNVCADVZHW-UHFFFAOYSA-N 0 0 297.763 3.504 50 0 CHAARN COc1ccc([C@H]2CCCN2C(=O)c2occc2C)cc1 ZINC000021624434 260121791 /nfs/dbraw/zinc/12/17/91/260121791.db2.gz AGHUDKCWIKEZDW-OAHLLOKOSA-N 0 0 285.343 3.574 50 0 CHAARN O=C(NCC1CC1)c1ccccc1Nc1ccccc1 ZINC000026202745 260130778 /nfs/dbraw/zinc/13/07/78/260130778.db2.gz QQAFPLOVKTUZSA-UHFFFAOYSA-N 0 0 266.344 3.570 50 0 CHAARN NC(=O)c1cc(Sc2ccccc2F)nc2ccccc21 ZINC000032828985 260146183 /nfs/dbraw/zinc/14/61/83/260146183.db2.gz NOEXTJQHHOWXGH-UHFFFAOYSA-N 0 0 298.342 3.624 50 0 CHAARN Fc1ccc(-c2nc(CSc3nncs3)co2)cc1 ZINC000043694631 260188971 /nfs/dbraw/zinc/18/89/71/260188971.db2.gz IRAZRFKWILEHBR-UHFFFAOYSA-N 0 0 293.348 3.625 50 0 CHAARN CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccoc1 ZINC000047088455 260194533 /nfs/dbraw/zinc/19/45/33/260194533.db2.gz RNHHHTNZTPHBDR-CYBMUJFWSA-N 0 0 290.388 3.560 50 0 CHAARN CCC(=O)[C@H]1CCCCN1C(=O)c1oc2ccccc2c1C ZINC000185822973 327846686 /nfs/dbraw/zinc/84/66/86/327846686.db2.gz LZAMLPJSPDCWCR-CQSZACIVSA-N 0 0 299.370 3.715 50 0 CHAARN CC[C@@H](NC(=O)c1nc(C(C)C)cs1)c1nccs1 ZINC000534584488 328314795 /nfs/dbraw/zinc/31/47/95/328314795.db2.gz YXPFEFVMHSJJOT-SECBINFHSA-N 0 0 295.433 3.604 50 0 CHAARN CC(C)[C@H](NC(=O)N1CCCCCCC1)c1cccnc1 ZINC000534647233 328342763 /nfs/dbraw/zinc/34/27/63/328342763.db2.gz FMYRBWDAXIRBLC-INIZCTEOSA-N 0 0 289.423 3.754 50 0 CHAARN COc1ccc(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000013328769 326839495 /nfs/dbraw/zinc/83/94/95/326839495.db2.gz IYZAVDPNFFSNDU-AWEZNQCLSA-N 0 0 283.371 3.803 50 0 CHAARN Fc1cccc(F)c1-n1c2ccccc2[nH]c1=S ZINC000020586001 326863286 /nfs/dbraw/zinc/86/32/86/326863286.db2.gz PTCXJJDRMMHZMK-UHFFFAOYSA-N 0 0 262.284 3.966 50 0 CHAARN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(F)c2)cc1 ZINC000022285371 326868345 /nfs/dbraw/zinc/86/83/45/326868345.db2.gz DELNXCAUPNJEKH-KRWDZBQOSA-N 0 0 299.345 3.812 50 0 CHAARN CC[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000055276212 326996818 /nfs/dbraw/zinc/99/68/18/326996818.db2.gz MYUSZVUJXIQZPL-QMMMGPOBSA-N 0 0 261.243 3.570 50 0 CHAARN Cc1cc(-c2csc(NC(=O)c3ccncc3)n2)c(C)o1 ZINC000058153477 327010144 /nfs/dbraw/zinc/01/01/44/327010144.db2.gz DCVFVWKAJAQIQX-UHFFFAOYSA-N 0 0 299.355 3.667 50 0 CHAARN Cc1csc(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)n1 ZINC000069619294 327100218 /nfs/dbraw/zinc/10/02/18/327100218.db2.gz HPJRLARSZHYWQM-AWEZNQCLSA-N 0 0 290.432 3.514 50 0 CHAARN Cc1nc(CN2CCc3ccc(F)cc3[C@H]2C)oc1C ZINC000071909019 327105972 /nfs/dbraw/zinc/10/59/72/327105972.db2.gz HIFMUUDGAGLYRZ-LLVKDONJSA-N 0 0 274.339 3.550 50 0 CHAARN COCOC/C(C)=C/CCC1SCCCS1 ZINC000043762742 328754155 /nfs/dbraw/zinc/75/41/55/328754155.db2.gz ITDCWULALKATTC-VZUCSPMQSA-N 0 0 262.440 3.530 50 0 CHAARN CCC[C@H]1C[C@H](c2nc(-c3nc(C)cs3)no2)CCO1 ZINC000390833316 328973564 /nfs/dbraw/zinc/97/35/64/328973564.db2.gz FZAHYOGKOUEEEV-MNOVXSKESA-N 0 0 293.392 3.564 50 0 CHAARN Cc1cc2[nH]c(CN[C@H](C)C(F)(F)F)cc2c(C)c1 ZINC000424185940 330320741 /nfs/dbraw/zinc/32/07/41/330320741.db2.gz RKCMPYVORWAUPA-SNVBAGLBSA-N 0 0 270.298 3.825 50 0 CHAARN Cc1noc(C)c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000084025569 330360697 /nfs/dbraw/zinc/36/06/97/330360697.db2.gz IMCNMEPXCPHKOU-UHFFFAOYSA-N 0 0 284.237 3.563 50 0 CHAARN Cc1cc(-c2cccs2)ncc1Br ZINC000536954492 330382863 /nfs/dbraw/zinc/38/28/63/330382863.db2.gz QJHVZZZGIOUWRT-UHFFFAOYSA-N 0 0 254.152 3.881 50 0 CHAARN C[C@@H]1CCCN(C(=O)/C=C\c2cccc3cccnc23)CC1 ZINC000096402068 330438631 /nfs/dbraw/zinc/43/86/31/330438631.db2.gz KYNDCGBUPVPNMH-FJVVXJACSA-N 0 0 294.398 3.897 50 0 CHAARN FC(F)(F)CCc1cccc(NCc2cocn2)c1 ZINC000192323865 335104427 /nfs/dbraw/zinc/10/44/27/335104427.db2.gz SHSMCXKAHRLBLR-UHFFFAOYSA-N 0 0 270.254 3.782 50 0 CHAARN Fc1ccc(NCc2ccc(OCC3CC3)cc2)nc1 ZINC000191521060 333220926 /nfs/dbraw/zinc/22/09/26/333220926.db2.gz NHIIFARTKKBJTG-UHFFFAOYSA-N 0 0 272.323 3.622 50 0 CHAARN C/C(=C\c1csc(Br)c1)c1cnccn1 ZINC000521928380 333223895 /nfs/dbraw/zinc/22/38/95/333223895.db2.gz ZCLVJRVLZGCBKH-XBXARRHUSA-N 0 0 281.178 3.861 50 0 CHAARN C/C(=C\c1cnc(C2CCC2)s1)c1cnccn1 ZINC000547812302 334121210 /nfs/dbraw/zinc/12/12/10/334121210.db2.gz KTNMFFJWEAHTCC-JXMROGBWSA-N 0 0 257.362 3.761 50 0 CHAARN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccncc1Cl ZINC000245446765 334194115 /nfs/dbraw/zinc/19/41/15/334194115.db2.gz LLGNSNBENWELGK-JTNHKYCSSA-N 0 0 278.783 3.528 50 0 CHAARN Cc1oc(-c2cccs2)nc1COc1cccc(C)n1 ZINC000181787773 335785577 /nfs/dbraw/zinc/78/55/77/335785577.db2.gz XCHHBKQTFCXXIT-UHFFFAOYSA-N 0 0 286.356 3.994 50 0 CHAARN CCOC(=O)[C@@H](CC)c1ccc(Br)cc1 ZINC000079230813 521056046 /nfs/dbraw/zinc/05/60/46/521056046.db2.gz KHXAGVUSSBZVJS-NSHDSACASA-N 0 0 271.154 3.506 50 0 CHAARN COc1ccccc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000012603001 533975118 /nfs/dbraw/zinc/97/51/18/533975118.db2.gz MWVHYOZCMQDSMM-CQSZACIVSA-N 0 0 299.395 3.662 50 0 CHAARN Cc1cc(C)nc(NC(=O)Nc2ccc(F)cc2F)c1 ZINC000000610783 534138294 /nfs/dbraw/zinc/13/82/94/534138294.db2.gz ORNGFJKIHHSZHZ-UHFFFAOYSA-N 0 0 277.274 3.621 50 0 CHAARN COc1ccccc1NC(=O)/C=C/Sc1ccccc1 ZINC000008328652 534163685 /nfs/dbraw/zinc/16/36/85/534163685.db2.gz RENDQDGPOLVOGY-VAWYXSNFSA-N 0 0 285.368 3.940 50 0 CHAARN COc1ccc(C(=O)Nc2c(C)cccc2C)cc1 ZINC000000024582 518147368 /nfs/dbraw/zinc/14/73/68/518147368.db2.gz GPQWVHPHWNPAGJ-UHFFFAOYSA-N 0 0 255.317 3.564 50 0 CHAARN CC(C)(CO)[C@@H]1O[C@@H]2CCCC[C@@H]2[C@@H]2C=CCC[C@H]12 ZINC000248174162 519283387 /nfs/dbraw/zinc/28/33/87/519283387.db2.gz UUJKDBXPGVPHKQ-ZVDSWSACSA-N 0 0 264.409 3.545 50 0 biogenic CHAARN CC(C)c1nnc(NCc2ccc3occc3c2)o1 ZINC000285036249 519890700 /nfs/dbraw/zinc/89/07/00/519890700.db2.gz GJNBYTDCFVNBJV-UHFFFAOYSA-N 0 0 257.293 3.551 50 0 CHAARN COc1cc(C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000003510601 522279852 /nfs/dbraw/zinc/27/98/52/522279852.db2.gz WSNWOBGRMPDTLJ-UHFFFAOYSA-N 0 0 299.370 3.638 50 0 CHAARN C[C@@H]1CN(C(=O)Cc2cccs2)[C@@H]1c1ccccc1 ZINC000266329794 524798145 /nfs/dbraw/zinc/79/81/45/524798145.db2.gz UURAZPSXEZVCSL-WBMJQRKESA-N 0 0 271.385 3.510 50 0 CHAARN Cc1cc(NC(=O)C[C@@H]2C=CCC2)n(-c2cccc(C)c2)n1 ZINC000032859954 525157926 /nfs/dbraw/zinc/15/79/26/525157926.db2.gz YGJSXLZAHYRDIG-OAHLLOKOSA-N 0 0 295.386 3.784 50 0 CHAARN COc1ccc([C@H](C)Nc2nccc(C(F)(F)F)n2)cc1 ZINC000088218657 525338997 /nfs/dbraw/zinc/33/89/97/525338997.db2.gz UMLKWTWAKZPWHR-VIFPVBQESA-N 0 0 297.280 3.677 50 0 CHAARN C[C@@H](NC(=O)c1ccccc1Cl)c1cccs1 ZINC000012853136 525351957 /nfs/dbraw/zinc/35/19/57/525351957.db2.gz XFGDFVCNSNAMRR-SECBINFHSA-N 0 0 265.765 3.893 50 0 CHAARN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000263569588 525518147 /nfs/dbraw/zinc/51/81/47/525518147.db2.gz HORRSMVGQTXDED-CQSZACIVSA-N 0 0 297.398 3.841 50 0 CHAARN Cc1cnccc1NC(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000121356367 526240237 /nfs/dbraw/zinc/24/02/37/526240237.db2.gz SAYRWBXPJYYGRE-INIZCTEOSA-N 0 0 295.386 3.934 50 0 CHAARN C/C=C\C(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC000096576435 526308561 /nfs/dbraw/zinc/30/85/61/526308561.db2.gz FMAXGLNVDMKWGC-PLNGDYQASA-N 0 0 288.372 3.642 50 0 CHAARN S=C(SCc1nc2ccccc2s1)N1CCCC1 ZINC000097603749 526386658 /nfs/dbraw/zinc/38/66/58/526386658.db2.gz UYLSOZPPZDUAFD-UHFFFAOYSA-N 0 0 294.470 3.910 50 0 CHAARN CCO[C@H](C)c1ccc(-c2nc(C)cnc2C)cc1 ZINC000426628850 528005615 /nfs/dbraw/zinc/00/56/15/528005615.db2.gz UVPSVISCYKCONH-CYBMUJFWSA-N 0 0 256.349 3.858 50 0 CHAARN CCCCC(=O)Nc1ccc2c3c(cccc31)C(=O)N2CC ZINC000004071240 528091413 /nfs/dbraw/zinc/09/14/13/528091413.db2.gz WSRAOHTXASPHRU-UHFFFAOYSA-N 0 0 296.370 3.949 50 0 CHAARN CC(C)c1ocnc1C(=O)N1CCCCc2ccccc21 ZINC000098009581 528522681 /nfs/dbraw/zinc/52/26/81/528522681.db2.gz DNDMYKFUHDHMOR-UHFFFAOYSA-N 0 0 284.359 3.781 50 0 CHAARN CCN(Cc1ccccn1)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000096486770 528849895 /nfs/dbraw/zinc/84/98/95/528849895.db2.gz REBLASZHHJTRLC-ZDUSSCGKSA-N 0 0 287.407 3.950 50 0 CHAARN CCC(CC)c1nnc(NC(=O)/C=C\c2ccco2)s1 ZINC000096600724 528886342 /nfs/dbraw/zinc/88/63/42/528886342.db2.gz IQFQTDYPOBRKEW-FPLPWBNLSA-N 0 0 291.376 3.687 50 0 CHAARN CCCCc1ccc(N2C(=O)C(Cl)=C(Cl)C2=O)cc1 ZINC000001789199 529021801 /nfs/dbraw/zinc/02/18/01/529021801.db2.gz NYMOQZSKLBTDCB-UHFFFAOYSA-N 0 0 298.169 3.592 50 0 CHAARN COc1ccc(C(=O)CN2CCCc3cc(C)ccc32)cc1 ZINC000000146126 536684060 /nfs/dbraw/zinc/68/40/60/536684060.db2.gz ZDEJZSXSEHDCIB-UHFFFAOYSA-N 0 0 295.382 3.639 50 0 CHAARN COc1cccc2c(C)cc(N3CCCCC3)nc12 ZINC000004996749 536931047 /nfs/dbraw/zinc/93/10/47/536931047.db2.gz GQXCHYIVSAYTHT-UHFFFAOYSA-N 0 0 256.349 3.542 50 0 CHAARN CCCCNC(=O)Cc1sc(C)nc1-c1cccs1 ZINC000015840041 566924120 /nfs/dbraw/zinc/92/41/20/566924120.db2.gz ULWHFNZUVKPUIM-UHFFFAOYSA-N 0 0 294.445 3.639 50 0 CHAARN O=C(Cc1ccc(Cl)cc1)N1CCC(=C2CC2)CC1 ZINC000238862814 567005436 /nfs/dbraw/zinc/00/54/36/567005436.db2.gz LBHCXDDHAAOZKT-UHFFFAOYSA-N 0 0 275.779 3.595 50 0 CHAARN O=C(Nc1ccc(Br)cc1)c1cccc(F)c1 ZINC000000362098 567826544 /nfs/dbraw/zinc/82/65/44/567826544.db2.gz DOYJIIIXKFSCOF-UHFFFAOYSA-N 0 0 294.123 3.841 50 0 CHAARN FC(F)(F)c1[nH]nc(-c2ccccc2)c1Br ZINC000004242113 567856023 /nfs/dbraw/zinc/85/60/23/567856023.db2.gz OBKUMDOWKMRFPB-UHFFFAOYSA-N 0 0 291.070 3.858 50 0 CHAARN O=C(Oc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000004615447 567858679 /nfs/dbraw/zinc/85/86/79/567858679.db2.gz QFOOQWZABMLXPS-UHFFFAOYSA-N 0 0 250.656 3.698 50 0 CHAARN Cc1cc(O)c(C(=O)Cc2ccccc2)cc1Cl ZINC000001081528 567835918 /nfs/dbraw/zinc/83/59/18/567835918.db2.gz GUOVVAMSUAANAZ-UHFFFAOYSA-N 0 0 260.720 3.779 50 0 CHAARN CC[C@@H]1CCCCN1c1ccc(Br)cc1N ZINC000037082973 567889960 /nfs/dbraw/zinc/88/99/60/567889960.db2.gz ZCCQPLLXUHHISP-LLVKDONJSA-N 0 0 283.213 3.800 50 0 CHAARN CCNC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000071772774 567902130 /nfs/dbraw/zinc/90/21/30/567902130.db2.gz RQUZLDRQCJYEHF-UHFFFAOYSA-N 0 0 252.402 3.683 50 0 CHAARN CCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000032795123 570223431 /nfs/dbraw/zinc/22/34/31/570223431.db2.gz IUUOHPFRCBCEKR-NXEZZACHSA-N 0 0 270.323 3.514 50 0 CHAARN Cc1cc(NC(=O)c2ccc(C)c(Cl)c2)c(C)cn1 ZINC000089643336 570367210 /nfs/dbraw/zinc/36/72/10/570367210.db2.gz NIZMUAGAYDCNAI-UHFFFAOYSA-N 0 0 274.751 3.913 50 0 CHAARN Cc1c(Cl)cccc1NC(=O)NCc1ccoc1 ZINC000047698692 570412508 /nfs/dbraw/zinc/41/25/08/570412508.db2.gz SWPKBRMPEGQYQF-UHFFFAOYSA-N 0 0 264.712 3.563 50 0 CHAARN C[C@@H](NC(=O)CCc1ccncc1)c1cccc(Cl)c1 ZINC000240333598 566825142 /nfs/dbraw/zinc/82/51/42/566825142.db2.gz FECQXGDJOGWQIX-GFCCVEGCSA-N 0 0 288.778 3.545 50 0 CHAARN C[C@H](Oc1ccc(F)cc1)c1ncc(Br)cn1 ZINC000240454714 566825165 /nfs/dbraw/zinc/82/51/65/566825165.db2.gz FYGXVJNUNHSSBK-QMMMGPOBSA-N 0 0 297.127 3.518 50 0 CHAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1OC(F)F ZINC000027989892 566828090 /nfs/dbraw/zinc/82/80/90/566828090.db2.gz LADBSWRFBCOQOB-PWSUYJOCSA-N 0 0 283.318 3.597 50 0 CHAARN Cc1ccccc1CNC(=O)c1ccccc1OC(F)F ZINC000018831595 566829652 /nfs/dbraw/zinc/82/96/52/566829652.db2.gz YSEYQPRYKFKGOP-UHFFFAOYSA-N 0 0 291.297 3.526 50 0 CHAARN COc1cccc2cc([C@@H](C)NC(=O)CC(C)C)oc21 ZINC000025139353 566831759 /nfs/dbraw/zinc/83/17/59/566831759.db2.gz ICBJAOZGAPUTSN-LLVKDONJSA-N 0 0 275.348 3.665 50 0 CHAARN COC(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1 ZINC000000988314 566835562 /nfs/dbraw/zinc/83/55/62/566835562.db2.gz SWVZUHXEBUKYQX-UHFFFAOYSA-N 0 0 298.125 3.967 50 0 CHAARN CC(=O)/C(=C/c1ccccc1)C(=O)c1ccccc1 ZINC000004114518 566837406 /nfs/dbraw/zinc/83/74/06/566837406.db2.gz HBHTVGRYGXGEFG-VBKFSLOCSA-N 0 0 250.297 3.542 50 0 CHAARN Cc1cccc(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)n1 ZINC000025340960 566838261 /nfs/dbraw/zinc/83/82/61/566838261.db2.gz IJFOKQMFDMOIED-INIZCTEOSA-N 0 0 286.350 3.656 50 0 CHAARN Fc1ccc(-c2cc(C(F)(F)F)n3nccc3n2)cc1 ZINC000002752003 566842686 /nfs/dbraw/zinc/84/26/86/566842686.db2.gz PHHFVMHNOJALDA-UHFFFAOYSA-N 0 0 281.212 3.554 50 0 CHAARN Cc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000012538879 566846375 /nfs/dbraw/zinc/84/63/75/566846375.db2.gz ZDHWEWXQIOKUAV-UHFFFAOYSA-N 0 0 280.249 3.661 50 0 CHAARN C[C@H](Cc1cccs1)NC(=O)Nc1ccc(F)cc1 ZINC000003206314 566846529 /nfs/dbraw/zinc/84/65/29/566846529.db2.gz YFPKHIBGCPRLBH-SNVBAGLBSA-N 0 0 278.352 3.640 50 0 CHAARN C[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccco1 ZINC000012534128 566846746 /nfs/dbraw/zinc/84/67/46/566846746.db2.gz WEPBYCVQPOFBEK-CYBMUJFWSA-N 0 0 280.327 3.561 50 0 CHAARN COc1ccc2c(Cl)c(-c3nnco3)sc2c1 ZINC000003293172 566849720 /nfs/dbraw/zinc/84/97/20/566849720.db2.gz WYAVZTIQQQQKGL-UHFFFAOYSA-N 0 0 266.709 3.613 50 0 CHAARN Cc1ccc(C)c(N[C@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000012556237 566850420 /nfs/dbraw/zinc/85/04/20/566850420.db2.gz GSLUNLHWERGLDU-SFHVURJKSA-N 0 0 294.398 3.735 50 0 CHAARN C=C1c2ccccc2NC(=S)N1Cc1ccccc1 ZINC000012554650 566850517 /nfs/dbraw/zinc/85/05/17/566850517.db2.gz TXLSBWXGWVRKMV-UHFFFAOYSA-N 0 0 266.369 3.870 50 0 CHAARN Nc1nc(CSc2ccccc2F)nc2ccccc12 ZINC000012551475 566850565 /nfs/dbraw/zinc/85/05/65/566850565.db2.gz YWDXNWJRNFUWLN-UHFFFAOYSA-N 0 0 285.347 3.643 50 0 CHAARN COc1ccccc1/C=C/C(=O)Nc1ccc(F)cc1F ZINC000003561576 566851993 /nfs/dbraw/zinc/85/19/93/566851993.db2.gz YICORRPKFNDUOB-RMKNXTFCSA-N 0 0 289.281 3.625 50 0 CHAARN CC(C)[C@H](NC(=O)c1cccn1C(C)C)c1cccnc1 ZINC000299792386 566853662 /nfs/dbraw/zinc/85/36/62/566853662.db2.gz FLIHBJHHUFVMRK-INIZCTEOSA-N 0 0 285.391 3.591 50 0 CHAARN O=C(NCCC[C@H]1CCOC1)Nc1ccccc1C1CC1 ZINC000299780651 566853761 /nfs/dbraw/zinc/85/37/61/566853761.db2.gz CCPFMSCUHOCRLB-ZDUSSCGKSA-N 0 0 288.391 3.502 50 0 CHAARN O=Cc1ccc(OC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000031976044 566857619 /nfs/dbraw/zinc/85/76/19/566857619.db2.gz XUFNBLVXOZFFES-BJMVGYQFSA-N 0 0 286.714 3.771 50 0 CHAARN CC(C)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000001284130 566860775 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FC(F)(F)c1cccc(NC(=S)Nc2ccccn2)c1 ZINC000000167318 567820961 /nfs/dbraw/zinc/82/09/61/567820961.db2.gz CBTCDZHGUFMBHU-UHFFFAOYSA-N 0 0 297.305 3.909 50 0 CHAARN Oc1ccc(Br)cc1C1SCCS1 ZINC000000165998 567821145 /nfs/dbraw/zinc/82/11/45/567821145.db2.gz DFSLMGQWCGFHRF-UHFFFAOYSA-N 0 0 277.208 3.633 50 0 CHAARN O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)nc1 ZINC000000166612 567821173 /nfs/dbraw/zinc/82/11/73/567821173.db2.gz ZDKRADGNGVIHQR-UHFFFAOYSA-N 0 0 267.115 3.641 50 0 CHAARN CCSc1nc2ccccc2nc1SCC ZINC000000171732 567821291 /nfs/dbraw/zinc/82/12/91/567821291.db2.gz JKOMENWDWJFFNE-UHFFFAOYSA-N 0 0 250.392 3.854 50 0 CHAARN O=C(CCc1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000000174409 567821434 /nfs/dbraw/zinc/82/14/34/567821434.db2.gz QSZCVRNMEHYXHX-GOSISDBHSA-N 0 0 279.383 3.635 50 0 CHAARN COc1ccc(CNC(=O)Nc2ccccc2Cl)cc1 ZINC000000171472 567821461 /nfs/dbraw/zinc/82/14/61/567821461.db2.gz CJFZUYNQOIUFLL-UHFFFAOYSA-N 0 0 290.750 3.670 50 0 CHAARN CSc1nc2ccccc2n1CCOc1ccccc1 ZINC000000181722 567821786 /nfs/dbraw/zinc/82/17/86/567821786.db2.gz BDVGPDALORHBRJ-UHFFFAOYSA-N 0 0 284.384 3.837 50 0 CHAARN CC1(C)CC(=O)C[C@@](c2ccccc2)(C(F)(F)F)O1 ZINC000000183036 567821856 /nfs/dbraw/zinc/82/18/56/567821856.db2.gz ADUYBQMUWKTOQB-CYBMUJFWSA-N 0 0 272.266 3.602 50 0 CHAARN CC1(C)C(c2ccccc2)=N[C@H](c2ccccc2F)N1O ZINC000000191900 567821857 /nfs/dbraw/zinc/82/18/57/567821857.db2.gz FBFLSWJEJIDYHP-INIZCTEOSA-N 0 0 284.334 3.797 50 0 CHAARN C[C@@H]1S[C@@H](c2ccccc2)N(Cc2ccccc2)C1=O ZINC000000208574 567822133 /nfs/dbraw/zinc/82/21/33/567822133.db2.gz XCLUQWGMVIXYIU-GUYCJALGSA-N 0 0 283.396 3.849 50 0 CHAARN COc1ccc(NC(=O)N2CCCc3ccccc32)cc1 ZINC000000205564 567822212 /nfs/dbraw/zinc/82/22/12/567822212.db2.gz FROQPKCHSXDQLR-UHFFFAOYSA-N 0 0 282.343 3.680 50 0 CHAARN Cc1ccc2c(cccc2NC(=O)c2ccccc2F)n1 ZINC000000227147 567822383 /nfs/dbraw/zinc/82/23/83/567822383.db2.gz NGKUWZFUWCBNCO-UHFFFAOYSA-N 0 0 280.302 3.935 50 0 CHAARN CCOC(=O)c1cc(C)n(CCc2ccccc2)c1C ZINC000000221469 567822502 /nfs/dbraw/zinc/82/25/02/567822502.db2.gz GTCXPJMNEVMKOO-UHFFFAOYSA-N 0 0 271.360 3.524 50 0 CHAARN CC(C)(C)c1cc(Cl)ccc1OCCn1ccnc1 ZINC000000235598 567822611 /nfs/dbraw/zinc/82/26/11/567822611.db2.gz MMRCPWNFCVKIEK-UHFFFAOYSA-N 0 0 278.783 3.913 50 0 CHAARN COc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000000236105 567822823 /nfs/dbraw/zinc/82/28/23/567822823.db2.gz LRDMIYQCVVFYLA-UHFFFAOYSA-N 0 0 255.317 3.564 50 0 CHAARN Cc1cccc(OC(=O)c2ccc(Br)o2)c1 ZINC000000240869 567822939 /nfs/dbraw/zinc/82/29/39/567822939.db2.gz LZHQGKCXGAZOKU-UHFFFAOYSA-N 0 0 281.105 3.570 50 0 CHAARN Cc1ccc(NC(=O)c2cccs2)cc1Cl ZINC000000256658 567823097 /nfs/dbraw/zinc/82/30/97/567823097.db2.gz QKWCTGSFVYAMRD-UHFFFAOYSA-N 0 0 251.738 3.962 50 0 CHAARN Nc1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1 ZINC000000266054 567823140 /nfs/dbraw/zinc/82/31/40/567823140.db2.gz PARXWVITUBCUEZ-UHFFFAOYSA-N 0 0 288.148 3.575 50 0 CHAARN CCSc1cnn(C2CCCCC2)c(=O)c1Cl ZINC000000272199 567823506 /nfs/dbraw/zinc/82/35/06/567823506.db2.gz GASSMXZAHLWWSF-UHFFFAOYSA-N 0 0 272.801 3.514 50 0 CHAARN CC(C)COc1ccc([C@H](O)c2ccccc2)cc1 ZINC000000284545 567823915 /nfs/dbraw/zinc/82/39/15/567823915.db2.gz OKODQRDLCOIERQ-QGZVFWFLSA-N 0 0 256.345 3.803 50 0 CHAARN Cc1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1 ZINC000000294136 567824272 /nfs/dbraw/zinc/82/42/72/567824272.db2.gz ZWCOIYVCSKLLNF-UHFFFAOYSA-N 0 0 290.366 3.825 50 0 CHAARN CC1CCN(C(=S)c2c[nH]c3ccccc23)CC1 ZINC000000307112 567824454 /nfs/dbraw/zinc/82/44/54/567824454.db2.gz FAWOCYTXSMCAIC-UHFFFAOYSA-N 0 0 258.390 3.575 50 0 CHAARN CN(C(=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000000305089 567824508 /nfs/dbraw/zinc/82/45/08/567824508.db2.gz KCWXFDHLLVGOJH-UHFFFAOYSA-N 0 0 296.208 3.854 50 0 CHAARN Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000000300433 567824554 /nfs/dbraw/zinc/82/45/54/567824554.db2.gz LOYVAZPTYHMLJC-UHFFFAOYSA-N 0 0 299.754 3.588 50 0 CHAARN CCOc1ccc([C@H](C)NC(=O)c2cccc(F)c2)cc1 ZINC000000306696 567824598 /nfs/dbraw/zinc/82/45/98/567824598.db2.gz TYEXLIMYWKGBJO-LBPRGKRZSA-N 0 0 287.334 3.715 50 0 CHAARN CCOc1cccc(C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000000307058 567824644 /nfs/dbraw/zinc/82/46/44/567824644.db2.gz TURNCZKXQMZLNV-UHFFFAOYSA-N 0 0 269.344 3.954 50 0 CHAARN CC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000000311082 567824864 /nfs/dbraw/zinc/82/48/64/567824864.db2.gz HXYYVBFQMUQHHX-OAHLLOKOSA-N 0 0 299.370 3.836 50 0 CHAARN COc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000000311847 567824882 /nfs/dbraw/zinc/82/48/82/567824882.db2.gz ZJHPFJVITCEUBE-UHFFFAOYSA-N 0 0 279.698 3.740 50 0 CHAARN Cc1ccc(C(C)C)c(OCCn2nnc3ccccc32)c1 ZINC000000311980 567824956 /nfs/dbraw/zinc/82/49/56/567824956.db2.gz ALOUWGDWKRQYPT-UHFFFAOYSA-N 0 0 295.386 3.942 50 0 CHAARN O=C(Cc1ccc(F)cc1)Nc1ccccc1Cl ZINC000000318337 567825127 /nfs/dbraw/zinc/82/51/27/567825127.db2.gz PCXDKNGGFGVBMF-UHFFFAOYSA-N 0 0 263.699 3.660 50 0 CHAARN CCc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000000317801 567825274 /nfs/dbraw/zinc/82/52/74/567825274.db2.gz FBTLPZLIWVPTJH-UHFFFAOYSA-N 0 0 294.148 3.857 50 0 CHAARN CCOc1ccccc1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000000318183 567825357 /nfs/dbraw/zinc/82/53/57/567825357.db2.gz KTIOZUMYZKHZJU-HNNXBMFYSA-N 0 0 297.398 3.836 50 0 CHAARN Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000000316791 567825371 /nfs/dbraw/zinc/82/53/71/567825371.db2.gz KNSRFRBOOPEPPY-HNNXBMFYSA-N 0 0 283.371 3.560 50 0 CHAARN Cc1ccc(NC(=O)CCOc2ccccc2C)cc1F ZINC000000319229 567825386 /nfs/dbraw/zinc/82/53/86/567825386.db2.gz PITGZDCLHSSKOK-UHFFFAOYSA-N 0 0 287.334 3.850 50 0 CHAARN O=C(Nc1cccnc1Cl)c1ccc(Cl)cc1 ZINC000000338615 567825594 /nfs/dbraw/zinc/82/55/94/567825594.db2.gz XETCYTKILICTLG-UHFFFAOYSA-N 0 0 267.115 3.641 50 0 CHAARN CCOc1nnc(-c2ccccc2)c2ccccc21 ZINC000000334606 567825668 /nfs/dbraw/zinc/82/56/68/567825668.db2.gz PTFRFADRPULKOR-UHFFFAOYSA-N 0 0 250.301 3.696 50 0 CHAARN C[C@H](Sc1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000000331324 567825678 /nfs/dbraw/zinc/82/56/78/567825678.db2.gz VTHLXPBHMGKLQV-NSHDSACASA-N 0 0 275.348 3.945 50 0 CHAARN O=Cc1ccccc1OC(=O)c1cccc2ccccc21 ZINC000000333683 567825728 /nfs/dbraw/zinc/82/57/28/567825728.db2.gz JWOHJVCZUYTSQT-UHFFFAOYSA-N 0 0 276.291 3.872 50 0 CHAARN CCOC(=O)C=C1c2ccccc2-c2ccccc21 ZINC000000344458 567825978 /nfs/dbraw/zinc/82/59/78/567825978.db2.gz SCHVJDVNASXDFU-UHFFFAOYSA-N 0 0 250.297 3.662 50 0 CHAARN COc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1OC ZINC000000355343 567826250 /nfs/dbraw/zinc/82/62/50/567826250.db2.gz UAYHEOFEFXRWCU-UHFFFAOYSA-N 0 0 291.778 3.647 50 0 CHAARN O=C1c2cccc(Cl)c2C(=O)N1c1cccc(Cl)c1 ZINC000000356165 567826415 /nfs/dbraw/zinc/82/64/15/567826415.db2.gz YNYFXDNUGFVVJO-UHFFFAOYSA-N 0 0 292.121 3.794 50 0 CHAARN CC[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000000362420 567826789 /nfs/dbraw/zinc/82/67/89/567826789.db2.gz AAGUMKOIXWDPIV-QGZVFWFLSA-N 0 0 267.372 3.539 50 0 biogenic CHAARN Cc1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1 ZINC000000361914 567826839 /nfs/dbraw/zinc/82/68/39/567826839.db2.gz UWTQMHBKIRAWCG-UHFFFAOYSA-N 0 0 286.331 3.996 50 0 CHAARN CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(C)c2)c1 ZINC000000363366 567826913 /nfs/dbraw/zinc/82/69/13/567826913.db2.gz LFNGDIYLIZVCTF-UHFFFAOYSA-N 0 0 297.354 3.732 50 0 CHAARN CC(C)CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000000364400 567827011 /nfs/dbraw/zinc/82/70/11/567827011.db2.gz LKGZEEOCFOAVDO-UHFFFAOYSA-N 0 0 281.355 3.902 50 0 CHAARN CSc1cccc(NC(=O)COc2cccc(C)c2)c1 ZINC000000362756 567827045 /nfs/dbraw/zinc/82/70/45/567827045.db2.gz TYZLBHYEKZQCAR-UHFFFAOYSA-N 0 0 287.384 3.734 50 0 CHAARN COc1ccc(OC)c(NC(=O)CCCc2ccccc2)c1 ZINC000000363301 567827140 /nfs/dbraw/zinc/82/71/40/567827140.db2.gz JJMZYVQTZIVKHE-UHFFFAOYSA-N 0 0 299.370 3.665 50 0 CHAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 ZINC000000364831 567827294 /nfs/dbraw/zinc/82/72/94/567827294.db2.gz SZNRIJREISNQLD-AWEZNQCLSA-N 0 0 299.370 3.718 50 0 CHAARN CC[C@@H](C(=O)Nc1cc(C)ccc1O)c1ccccc1 ZINC000000367771 567827390 /nfs/dbraw/zinc/82/73/90/567827390.db2.gz DDLPEDAHYHKMAX-CQSZACIVSA-N 0 0 269.344 3.833 50 0 CHAARN Cc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000000364939 567827412 /nfs/dbraw/zinc/82/74/12/567827412.db2.gz DECORNFPFKATTI-LSDHHAIUSA-N 0 0 283.371 3.640 50 0 CHAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(O)c2)c(C)c1 ZINC000000364871 567827478 /nfs/dbraw/zinc/82/74/78/567827478.db2.gz OQSGVSKXOHSNIA-AWEZNQCLSA-N 0 0 299.370 3.723 50 0 CHAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cccs1 ZINC000000376571 567827525 /nfs/dbraw/zinc/82/75/25/567827525.db2.gz WPWRRZROVXLQSZ-JTQLQIEISA-N 0 0 275.348 3.869 50 0 CHAARN CCc1nnc(NC(=O)C2CCC(C(C)(C)C)CC2)s1 ZINC000000371906 567827600 /nfs/dbraw/zinc/82/76/00/567827600.db2.gz FRNNRCYYCXIPPE-UHFFFAOYSA-N 0 0 295.452 3.892 50 0 CHAARN CC(C)(C)c1ccc(C(=O)NCc2cccs2)cc1 ZINC000000376488 567827604 /nfs/dbraw/zinc/82/76/04/567827604.db2.gz NRNSKLRSKSCLMU-UHFFFAOYSA-N 0 0 273.401 3.976 50 0 CHAARN COc1cc(SC)ccc1C(=O)Nc1cccc(C)c1 ZINC000000372591 567827628 /nfs/dbraw/zinc/82/76/28/567827628.db2.gz QTYUNKIWRBGWGC-UHFFFAOYSA-N 0 0 287.384 3.978 50 0 CHAARN Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(F)c2)c1 ZINC000000370755 567827665 /nfs/dbraw/zinc/82/76/65/567827665.db2.gz IXTKCRKXERJURN-CYBMUJFWSA-N 0 0 271.335 3.934 50 0 CHAARN CC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000000372249 567827697 /nfs/dbraw/zinc/82/76/97/567827697.db2.gz MNGHLXFZVLRJAW-UHFFFAOYSA-N 0 0 273.719 3.795 50 0 CHAARN O=C(Cc1ccccc1)NCc1ccc(Cl)c(Cl)c1 ZINC000000375459 567827741 /nfs/dbraw/zinc/82/77/41/567827741.db2.gz VKUWYSXQQZBNIS-UHFFFAOYSA-N 0 0 294.181 3.852 50 0 CHAARN CCC(C)(C)C(=O)Nc1ccc(Br)cc1 ZINC000000373197 567827754 /nfs/dbraw/zinc/82/77/54/567827754.db2.gz PHKNUVAZIHAKHM-UHFFFAOYSA-N 0 0 270.170 3.824 50 0 CHAARN CC[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1 ZINC000000370699 567827817 /nfs/dbraw/zinc/82/78/17/567827817.db2.gz JJNFTHVYLXRUHX-INIZCTEOSA-N 0 0 253.345 3.876 50 0 CHAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(F)c1 ZINC000000382698 567827931 /nfs/dbraw/zinc/82/79/31/567827931.db2.gz IFNUTLDIEOMUOH-SNVBAGLBSA-N 0 0 293.725 3.885 50 0 CHAARN COc1cc(C)c(Br)cc1Br ZINC000000393873 567828585 /nfs/dbraw/zinc/82/85/85/567828585.db2.gz 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ZINC000002569768 567848400 /nfs/dbraw/zinc/84/84/00/567848400.db2.gz VXTHRFKFXIWSTO-UHFFFAOYSA-N 0 0 253.301 3.852 50 0 CHAARN O=C(Nc1cc2c(s1)CCCC2)c1ccccc1 ZINC000002680222 567848682 /nfs/dbraw/zinc/84/86/82/567848682.db2.gz YIITUAGSKFHPMG-UHFFFAOYSA-N 0 0 257.358 3.879 50 0 CHAARN O=C(Nc1cc(F)ccc1F)c1cccc(OC(F)F)c1 ZINC000002743592 567849126 /nfs/dbraw/zinc/84/91/26/567849126.db2.gz GSINUJIOWVRIRP-UHFFFAOYSA-N 0 0 299.223 3.819 50 0 CHAARN CC[C@@H](C)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000002813098 567849399 /nfs/dbraw/zinc/84/93/99/567849399.db2.gz WXBZYWDWFAEFQT-CNELAYHGSA-N 0 0 259.393 3.912 50 0 CHAARN O=C(NCc1cccs1)c1c(Cl)cccc1Cl ZINC000002773815 567849633 /nfs/dbraw/zinc/84/96/33/567849633.db2.gz UGAJJZRJLHIOGC-UHFFFAOYSA-N 0 0 286.183 3.985 50 0 CHAARN CN(C(=O)c1ccccc1Br)C1CCCCC1 ZINC000002871085 567849798 /nfs/dbraw/zinc/84/97/98/567849798.db2.gz PDEAYYAQSYOTJP-UHFFFAOYSA-N 0 0 296.208 3.854 50 0 CHAARN Cc1cccc(C)c1NC(=S)NC(=O)C1CCCCC1 ZINC000002884146 567850090 /nfs/dbraw/zinc/85/00/90/567850090.db2.gz WLESYFVMHYQVLJ-UHFFFAOYSA-N 0 0 290.432 3.697 50 0 CHAARN Cc1ccc(S[C@@H](C)C(=O)Nc2nccs2)cc1 ZINC000002880783 567850106 /nfs/dbraw/zinc/85/01/06/567850106.db2.gz WQDMOMHTZNMWCG-JTQLQIEISA-N 0 0 278.402 3.571 50 0 CHAARN Cc1ccccc1-c1noc(-c2ccccc2F)n1 ZINC000002886775 567850263 /nfs/dbraw/zinc/85/02/63/567850263.db2.gz GGLDHWHEVDMLBH-UHFFFAOYSA-N 0 0 254.264 3.851 50 0 CHAARN O=C(Nc1ccccc1CO)c1ccc(Cl)c(Cl)c1 ZINC000002977612 567850710 /nfs/dbraw/zinc/85/07/10/567850710.db2.gz QXCZYRVWFAUNBX-UHFFFAOYSA-N 0 0 296.153 3.738 50 0 CHAARN Cc1ccc(CSCCNC(=O)c2ccccc2)cc1 ZINC000002991411 567851028 /nfs/dbraw/zinc/85/10/28/567851028.db2.gz NDNGBIYACWLZQZ-UHFFFAOYSA-N 0 0 285.412 3.658 50 0 CHAARN O=C(NC1CCCCC1)c1cccc(Br)c1 ZINC000003152147 567851555 /nfs/dbraw/zinc/85/15/55/567851555.db2.gz VRUMXGVWUFXLAH-UHFFFAOYSA-N 0 0 282.181 3.512 50 0 CHAARN CCc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000003210960 567852120 /nfs/dbraw/zinc/85/21/20/567852120.db2.gz 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CC[C@@H](C)NC(=O)Cc1coc2c1ccc(C)c2C ZINC000017321737 567935138 /nfs/dbraw/zinc/93/51/38/567935138.db2.gz BWOUFGAZTQZUKN-LLVKDONJSA-N 0 0 259.349 3.507 50 0 CHAARN CC[C@H](C)NC(=O)Cc1coc2c1ccc(C)c2C ZINC000017321738 567935004 /nfs/dbraw/zinc/93/50/04/567935004.db2.gz BWOUFGAZTQZUKN-NSHDSACASA-N 0 0 259.349 3.507 50 0 CHAARN COc1ccc([C@@H]2C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000017355030 567935182 /nfs/dbraw/zinc/93/51/82/567935182.db2.gz YTFKRSWDEPYBKW-CALCHBBNSA-N 0 0 254.329 3.975 50 0 CHAARN O=C(c1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 ZINC000000243915 567935321 /nfs/dbraw/zinc/93/53/21/567935321.db2.gz QHXWBATYQZAZOE-UHFFFAOYSA-N 0 0 288.730 3.732 50 0 CHAARN O=C(CCCSc1ccccc1)Nc1ccncc1 ZINC000017584844 567935406 /nfs/dbraw/zinc/93/54/06/567935406.db2.gz BVSWHXPOIFJEBA-UHFFFAOYSA-N 0 0 272.373 3.593 50 0 CHAARN COc1ccc(CNc2cc(C)ccc2C)c(OC)c1 ZINC000000263037 567935584 /nfs/dbraw/zinc/93/55/84/567935584.db2.gz UQCOOEPEBSXJDB-UHFFFAOYSA-N 0 0 271.360 3.933 50 0 CHAARN CCN(CC)c1ccc(NC(=O)c2ccc(F)cc2)cc1 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/nfs/dbraw/zinc/93/65/24/567936524.db2.gz NIQDSIUZMVFBEA-UHFFFAOYSA-N 0 0 261.394 3.971 50 0 CHAARN O=c1[nH]c(=S)[nH]c2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000017861775 567937657 /nfs/dbraw/zinc/93/76/57/567937657.db2.gz GTDBGPWZNPZTJR-UHFFFAOYSA-N 0 0 298.411 3.857 50 0 CHAARN CCCOC(=O)c1ccc(NC(=O)[C@H](C)CCC)cc1 ZINC000002966998 567937849 /nfs/dbraw/zinc/93/78/49/567937849.db2.gz VTCXDVMAKGXOJN-GFCCVEGCSA-N 0 0 277.364 3.628 50 0 CHAARN O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cccs1 ZINC000002995945 567937870 /nfs/dbraw/zinc/93/78/70/567937870.db2.gz PPUFJYRDRWLDGZ-UHFFFAOYSA-N 0 0 293.216 3.696 50 0 CHAARN O=C(NCc1cncc(-c2ccsc2)c1)c1ccccc1 ZINC000206942039 567938884 /nfs/dbraw/zinc/93/88/84/567938884.db2.gz OWSFPOXDTUWIQE-UHFFFAOYSA-N 0 0 294.379 3.740 50 0 CHAARN Cc1ccc(Cl)c2s/c(=N\C(=O)C(C)(C)C)n(C)c21 ZINC000100908983 567939345 /nfs/dbraw/zinc/93/93/45/567939345.db2.gz HKZQOTXWEGAXMV-SSZFMOIBSA-N 0 0 296.823 3.675 50 0 CHAARN O=C(c1cc2cccc(Br)c2[nH]1)C(F)(F)F ZINC000169725155 567939534 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/nfs/dbraw/zinc/94/04/01/567940401.db2.gz HTJUYSSKIKSFCI-UHFFFAOYSA-N 0 0 292.787 3.694 50 0 CHAARN Cc1ccc2c(CC(=O)Nc3ncccc3C)coc2c1C ZINC000018231243 567940531 /nfs/dbraw/zinc/94/05/31/567940531.db2.gz SNTOJPXTFFEBIM-UHFFFAOYSA-N 0 0 294.354 3.934 50 0 CHAARN CCOC(=O)C=C(C)NN(c1ccccc1)c1ccccc1 ZINC000018192865 567940548 /nfs/dbraw/zinc/94/05/48/567940548.db2.gz BQMRMWLESUBUJW-CCEZHUSRSA-N 0 0 296.370 3.796 50 0 CHAARN CCOC(=O)c1c(CC(C)C)csc1NC(=O)C(C)C ZINC000000502574 567940733 /nfs/dbraw/zinc/94/07/33/567940733.db2.gz FVUWGQXOFSLWEE-UHFFFAOYSA-N 0 0 297.420 3.718 50 0 CHAARN CNc1ccc(Br)cc1[C@@H](O)c1ccccc1 ZINC000000510186 567941591 /nfs/dbraw/zinc/94/15/91/567941591.db2.gz UANNCZVAVVEVCB-AWEZNQCLSA-N 0 0 292.176 3.573 50 0 CHAARN CCCn1nc(NC(=O)CC)c2cc3cc(C)ccc3nc21 ZINC000000525280 567942409 /nfs/dbraw/zinc/94/24/09/567942409.db2.gz KDYCHMORDPVTAQ-UHFFFAOYSA-N 0 0 296.374 3.651 50 0 CHAARN CN(C(=O)Nc1cccc2cccnc21)C(C1CC1)C1CC1 ZINC000051191537 567942582 /nfs/dbraw/zinc/94/25/82/567942582.db2.gz RLJAPBLMUOHPDI-UHFFFAOYSA-N 0 0 295.386 3.887 50 0 CHAARN CCOc1ccc2[nH]c3c(ncnc3NCCC(C)C)c2c1 ZINC000000543752 567942709 /nfs/dbraw/zinc/94/27/09/567942709.db2.gz BZDHPBFXZSBXFJ-UHFFFAOYSA-N 0 0 298.390 3.968 50 0 CHAARN Cc1ccc(NC(=O)Nc2nnc(C(C)C)s2)cc1C ZINC000000546946 567942957 /nfs/dbraw/zinc/94/29/57/567942957.db2.gz COZDBKQZJHSGBK-UHFFFAOYSA-N 0 0 290.392 3.922 50 0 CHAARN CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc(C)c(C)s2)C1(C)C ZINC000024541718 567943252 /nfs/dbraw/zinc/94/32/52/567943252.db2.gz RBPJHZRHEPDCCT-NEPJUHHUSA-N 0 0 278.421 3.937 50 0 CHAARN CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc(C)cs2)C1(C)C ZINC000024541905 567943325 /nfs/dbraw/zinc/94/33/25/567943325.db2.gz BAIAYWRTTDLPLP-QWRGUYRKSA-N 0 0 264.394 3.628 50 0 CHAARN CC(=O)c1ccccc1C(=O)N1CC2(CC2)c2ccccc21 ZINC000081434862 567943668 /nfs/dbraw/zinc/94/36/68/567943668.db2.gz VMHPDELPVWGBFW-UHFFFAOYSA-N 0 0 291.350 3.581 50 0 CHAARN CCc1cccc(NC(=O)c2cc(-c3cccs3)[nH]n2)c1 ZINC000051315637 567943980 /nfs/dbraw/zinc/94/39/80/567943980.db2.gz CKEWVESQTPCVII-UHFFFAOYSA-N 0 0 297.383 3.953 50 0 CHAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccc2c(c1)CCC2 ZINC000003517528 567945649 /nfs/dbraw/zinc/94/56/49/567945649.db2.gz RYGNJSQAUZTLCO-IZZDOVSWSA-N 0 0 281.330 3.966 50 0 CHAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1cccs1 ZINC000049548654 567946723 /nfs/dbraw/zinc/94/67/23/567946723.db2.gz MRQRRXXPYHDZRB-VIFPVBQESA-N 0 0 275.377 3.823 50 0 CHAARN O=C(/C=C/c1ccco1)N(Cc1ccsc1)C1CC1 ZINC000049521828 567946785 /nfs/dbraw/zinc/94/67/85/567946785.db2.gz PVKHJAOPTSEKSZ-AATRIKPKSA-N 0 0 273.357 3.546 50 0 CHAARN C[C@@](O)(Cc1nc(C2CCCCC2)no1)c1ccccc1 ZINC000184362349 567946807 /nfs/dbraw/zinc/94/68/07/567946807.db2.gz UMJZTZDEGWSKGR-QGZVFWFLSA-N 0 0 286.375 3.568 50 0 CHAARN C[C@@H]1C[C@H](C)CN(C(=O)Nc2cn(C)c3ccccc23)C1 ZINC000012355848 567948472 /nfs/dbraw/zinc/94/84/72/567948472.db2.gz BSJVRBBCSGAOQB-BETUJISGSA-N 0 0 285.391 3.688 50 0 CHAARN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000032895214 567948589 /nfs/dbraw/zinc/94/85/89/567948589.db2.gz JAKOICQHRPAZKN-VXGBXAGGSA-N 0 0 277.330 3.804 50 0 CHAARN Cc1cc(NC(=O)Nc2ccccc2)n(C2CCCC2)n1 ZINC000032611074 567948652 /nfs/dbraw/zinc/94/86/52/567948652.db2.gz OQIGZIUXSQFEBA-UHFFFAOYSA-N 0 0 284.363 3.951 50 0 CHAARN CC(C)n1cncc1CN1CCc2c3ccccc3[nH]c2C1 ZINC000222628278 567949019 /nfs/dbraw/zinc/94/90/19/567949019.db2.gz ILHNYIQQMFXSMI-UHFFFAOYSA-N 0 0 294.402 3.504 50 0 CHAARN C[C@@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NC1CCCCCC1 ZINC000225434681 567953351 /nfs/dbraw/zinc/95/33/51/567953351.db2.gz GIQUYTLZSGUQLU-IIAWOOMASA-N 0 0 281.440 3.809 50 0 CHAARN CCC(C)(C)N(C)C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000225401151 567953393 /nfs/dbraw/zinc/95/33/93/567953393.db2.gz XLYCLHPTQLKZNL-UHFFFAOYSA-N 0 0 272.392 3.666 50 0 CHAARN Cc1cccc(C)c1OCCCO[C@@H]1CCCCO1 ZINC000225827115 567955081 /nfs/dbraw/zinc/95/50/81/567955081.db2.gz CTXWBOHTUYNJQN-OAHLLOKOSA-N 0 0 264.365 3.616 50 0 CHAARN CC(C)C[C@H](C)N(C)C(=O)Cc1c[nH]c2ccccc12 ZINC000030427914 567955214 /nfs/dbraw/zinc/95/52/14/567955214.db2.gz MPOMSLFWJYWQGQ-ZDUSSCGKSA-N 0 0 272.392 3.603 50 0 CHAARN O=[N+]([O-])/C=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000031776076 567955689 /nfs/dbraw/zinc/95/56/89/567955689.db2.gz XNSSMTISCNZTBR-FPLPWBNLSA-N 0 0 294.104 3.957 50 0 CHAARN Oc1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000000481443 567955693 /nfs/dbraw/zinc/95/56/93/567955693.db2.gz KVCJYYMLTBZFJT-UHFFFAOYSA-N 0 0 254.211 3.550 50 0 CHAARN Clc1cc(Cl)cc(CN2CCSCC2)c1 ZINC000059858034 567956410 /nfs/dbraw/zinc/95/64/10/567956410.db2.gz NDODBXYGYLKTLD-UHFFFAOYSA-N 0 0 262.205 3.542 50 0 CHAARN C[C@@H](O)c1nc2ccccc2n1CCCc1ccccc1 ZINC000001926767 570214838 /nfs/dbraw/zinc/21/48/38/570214838.db2.gz IVWHLLSCQUBJRK-CQSZACIVSA-N 0 0 280.371 3.722 50 0 CHAARN C/C=C/CC(=O)N(CC)Cc1cc(Cl)ccc1OC ZINC000055370795 570242847 /nfs/dbraw/zinc/24/28/47/570242847.db2.gz WAAQSXSAMSXECF-GQCTYLIASA-N 0 0 281.783 3.663 50 0 CHAARN CCCCN(Cc1ccccc1)C(=O)c1ccco1 ZINC000006663827 570217580 /nfs/dbraw/zinc/21/75/80/570217580.db2.gz 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CC[C@H]1c2ccsc2CCN1C(=O)C[C@@H]1C=CCC1 ZINC000032781360 570409769 /nfs/dbraw/zinc/40/97/69/570409769.db2.gz CTKQAIMKTOPZCP-OCCSQVGLSA-N 0 0 275.417 3.940 50 0 CHAARN CC[C@@H]1c2ccsc2CCN1C(=O)CC(C)C ZINC000032781328 570409812 /nfs/dbraw/zinc/40/98/12/570409812.db2.gz GBYZJXYGVKCKOS-GFCCVEGCSA-N 0 0 251.395 3.630 50 0 CHAARN CCCSCC(=O)c1cccc(Br)c1 ZINC000037353426 570411767 /nfs/dbraw/zinc/41/17/67/570411767.db2.gz RXUSNNURBIDQSV-UHFFFAOYSA-N 0 0 273.195 3.775 50 0 CHAARN O=C([O-])CCC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000121014667 600318009 /nfs/dbraw/zinc/31/80/09/600318009.db2.gz UQIKKLVXLXBCAO-MRXNPFEDSA-N 0 0 286.375 3.560 50 0 CHAARN COc1cc2c(cc1CN(C)[C@@H](C)c1cccnc1)CCC2 ZINC000952974635 617218179 /nfs/dbraw/zinc/21/81/79/617218179.db2.gz UTODQHFOWRXWNJ-AWEZNQCLSA-N 0 0 296.414 3.772 50 0 CHAARN C[C@H](O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000036750059 1118370051 /nfs/dbraw/zinc/37/00/51/1118370051.db2.gz SXOVPKUQHMBXGW-VIFPVBQESA-N 0 0 250.244 3.810 50 0 CHAARN Oc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000013840570 1125512063 /nfs/dbraw/zinc/51/20/63/1125512063.db2.gz BQHPTVCTYWEKJL-UHFFFAOYSA-N 0 0 254.207 3.958 50 0 CHAARN COC(=O)/C=C(/C)c1ccc(Br)cc1Cl ZINC000135054594 1125574912 /nfs/dbraw/zinc/57/49/12/1125574912.db2.gz KGURHYDSIDUWCQ-ALCCZGGFSA-N 0 0 289.556 3.679 50 0 CHAARN CCCCNC(=O)c1nc(-c2ccc(Cl)cc2)oc1C ZINC000024765830 1125586531 /nfs/dbraw/zinc/58/65/31/1125586531.db2.gz CXGRKDFCLQZROR-UHFFFAOYSA-N 0 0 292.766 3.833 50 0 CHAARN Cc1cc(C)c(NC(=O)[C@H](C)N2CCCCC2)c(Cl)c1 ZINC000025404505 1125589404 /nfs/dbraw/zinc/58/94/04/1125589404.db2.gz PQWPHZZSYOEZDM-ZDUSSCGKSA-N 0 0 294.826 3.770 50 0 CHAARN CCCS(=O)(=O)N1CCCCC[C@H]1c1ccc(C)cc1 ZINC000064983871 1125675457 /nfs/dbraw/zinc/67/54/57/1125675457.db2.gz BJDBOJFCJHHRRT-INIZCTEOSA-N 0 0 295.448 3.652 50 0 CHAARN Cc1cc(C)nc(N2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000222235010 1125776934 /nfs/dbraw/zinc/77/69/34/1125776934.db2.gz GXWWWBGSBGPJDV-QXPKXGMISA-N 0 0 279.387 3.776 50 0 CHAARN CCc1ccc(NC(=O)CNc2cc(C)ccc2OC)cc1 ZINC000001935194 1125785811 /nfs/dbraw/zinc/78/58/11/1125785811.db2.gz HQTLFAFZEWSOLF-UHFFFAOYSA-N 0 0 298.386 3.617 50 0 CHAARN Cn1cc(-c2ccccc2)cc1C(=O)NCc1cccs1 ZINC000065170709 1126735781 /nfs/dbraw/zinc/73/57/81/1126735781.db2.gz YVZFVKFXTBJXBF-UHFFFAOYSA-N 0 0 296.395 3.684 50 0 CHAARN Cc1ccc(-n2cccc2CC(=O)NC2CCCCC2)cc1 ZINC000065170866 1126735889 /nfs/dbraw/zinc/73/58/89/1126735889.db2.gz UJIMGPOQXSFLLL-UHFFFAOYSA-N 0 0 296.414 3.777 50 0 CHAARN O=C(c1ccco1)N1CCC(CCOc2ccccc2)CC1 ZINC000065180564 1126736732 /nfs/dbraw/zinc/73/67/32/1126736732.db2.gz URMKJHLTTHWEGU-UHFFFAOYSA-N 0 0 299.370 3.601 50 0 CHAARN Cc1ccc(-c2nnc(C)c(NCc3cccs3)n2)cc1 ZINC000065195825 1126740671 /nfs/dbraw/zinc/74/06/71/1126740671.db2.gz DWZLBUPMFNKAJC-UHFFFAOYSA-N 0 0 296.399 3.829 50 0 CHAARN CCNc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 ZINC000036613508 1126748345 /nfs/dbraw/zinc/74/83/45/1126748345.db2.gz PTAAAZNYFWMCHN-UHFFFAOYSA-N 0 0 281.281 3.903 50 0 CHAARN C[C@@H](SCc1cccc(F)c1F)C(=O)NC(C)(C)C ZINC000065589228 1126853743 /nfs/dbraw/zinc/85/37/43/1126853743.db2.gz HQRNAHHAMRJUER-SECBINFHSA-N 0 0 287.375 3.501 50 0 CHAARN C[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc(Cl)nc2)[C@H]1C ZINC000108136897 1126856638 /nfs/dbraw/zinc/85/66/38/1126856638.db2.gz FOCMCWDVQRCIOP-AXTCKOSQSA-N 0 0 292.810 3.689 50 0 CHAARN O=C(CCc1ccccc1)N1CC[C@H](c2cccs2)C1 ZINC000827907155 1126872258 /nfs/dbraw/zinc/87/22/58/1126872258.db2.gz LBKLSFYBJRZZSF-HNNXBMFYSA-N 0 0 285.412 3.697 50 0 CHAARN COc1ccc(F)cc1[C@@H](C)Nc1ccnc(C2CC2)n1 ZINC000110230580 1126937838 /nfs/dbraw/zinc/93/78/38/1126937838.db2.gz JIPLOTUHTJHFSZ-SNVBAGLBSA-N 0 0 287.338 3.675 50 0 CHAARN CC(C)COc1ccccc1CN(C)C(=O)c1ccoc1 ZINC000055342696 1127157760 /nfs/dbraw/zinc/15/77/60/1127157760.db2.gz YTFFGBMFTABZPQ-UHFFFAOYSA-N 0 0 287.359 3.587 50 0 CHAARN Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)on1 ZINC000013596765 1127488531 /nfs/dbraw/zinc/48/85/31/1127488531.db2.gz ZKXIXOHTYQKZAD-UHFFFAOYSA-N 0 0 292.338 3.754 50 0 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C[C@H](Sc1ccc2ccccc2n1)C(=O)NC(C)(C)C ZINC000009114768 170363895 /nfs/dbraw/zinc/36/38/95/170363895.db2.gz QBPQBFHXJCYZGW-NSHDSACASA-N 0 0 288.416 3.630 50 0 CHAARN CCC[C@H](C)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000009114301 170364069 /nfs/dbraw/zinc/36/40/69/170364069.db2.gz NXGSLTWTPSFAQY-JTQLQIEISA-N 0 0 294.445 3.719 50 0 CHAARN Cc1cc(C)c(NC(=O)[C@H]2COc3ccccc3C2)c(C)c1 ZINC000009154585 170364685 /nfs/dbraw/zinc/36/46/85/170364685.db2.gz XOJGKBYDDBXFJC-MRXNPFEDSA-N 0 0 295.382 3.802 50 0 CHAARN Cc1cc(C)c(NC(=O)[C@H]2CC2(Cl)Cl)c(C)c1 ZINC000009218435 170366879 /nfs/dbraw/zinc/36/68/79/170366879.db2.gz IBTOSUAPXHZHSR-SNVBAGLBSA-N 0 0 272.175 3.744 50 0 CHAARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2O ZINC000009231977 170367622 /nfs/dbraw/zinc/36/76/22/170367622.db2.gz VOXZDWNPVJITMN-ILOCAZANSA-N 0 0 272.388 3.609 50 0 in-vitro CHAARN COc1ccc(NC(=O)c2occc2C)cc1Cl ZINC000009255562 170368905 /nfs/dbraw/zinc/36/89/05/170368905.db2.gz MHHPSBWSNLNASZ-UHFFFAOYSA-N 0 0 265.696 3.502 50 0 CHAARN c1cn(-c2ncnc3scc(-c4ccccc4)c32)cn1 ZINC000009338088 170373197 /nfs/dbraw/zinc/37/31/97/170373197.db2.gz NPBTZGFTLYEMKH-UHFFFAOYSA-N 0 0 278.340 3.544 50 0 CHAARN Fc1ccc(-c2csc(NC[C@H]3CCCO3)n2)c(F)c1 ZINC000009364161 170373968 /nfs/dbraw/zinc/37/39/68/170373968.db2.gz DRSIZHNBMWOHCS-SNVBAGLBSA-N 0 0 296.342 3.679 50 0 CHAARN Cc1ccnc(NC(=O)Cc2cccc3ccccc32)c1 ZINC000009365179 170374266 /nfs/dbraw/zinc/37/42/66/170374266.db2.gz CJSJCUPOFBAROI-UHFFFAOYSA-N 0 0 276.339 3.724 50 0 CHAARN CCCN1C(=O)c2ccccc2[C@@H]1c1ccccc1 ZINC000009425710 170376334 /nfs/dbraw/zinc/37/63/34/170376334.db2.gz MJYBXUNRNZKJPL-INIZCTEOSA-N 0 0 251.329 3.642 50 0 CHAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccnc1 ZINC000009423200 170376566 /nfs/dbraw/zinc/37/65/66/170376566.db2.gz IWFRFWJXHWPNOH-UHFFFAOYSA-N 0 0 295.367 3.766 50 0 CHAARN Cc1sc(NC(=O)[C@H]2C[C@@H]2C)nc1-c1ccc(F)cc1 ZINC000009452965 170377099 /nfs/dbraw/zinc/37/70/99/170377099.db2.gz OQZRIJMNZRTWAE-UFBFGSQYSA-N 0 0 290.363 3.852 50 0 CHAARN C[C@@H](NC(=O)c1ccco1)c1cc2ccccc2o1 ZINC000009497559 170378542 /nfs/dbraw/zinc/37/85/42/170378542.db2.gz PEPYMTIRSGDSER-SNVBAGLBSA-N 0 0 255.273 3.517 50 0 CHAARN Cc1cc(C)c(SCC(=O)NC(C)(C)C)c(C)c1 ZINC000009500841 170379275 /nfs/dbraw/zinc/37/92/75/170379275.db2.gz ORQRFUSTMHHEDY-UHFFFAOYSA-N 0 0 265.422 3.619 50 0 CHAARN CCC[C@H]1c2cccn2CCN1C(=O)NCc1ccccc1 ZINC000009528165 170380465 /nfs/dbraw/zinc/38/04/65/170380465.db2.gz QBYIDSOHPKVLTB-KRWDZBQOSA-N 0 0 297.402 3.555 50 0 CHAARN CCc1cc(C(=O)Nc2c(Cl)cccc2Cl)no1 ZINC000009597909 170382028 /nfs/dbraw/zinc/38/20/28/170382028.db2.gz UCCIENOEQFTUIT-UHFFFAOYSA-N 0 0 285.130 3.796 50 0 CHAARN O=C1NC2(CCCCC2)N=C1c1ccc(Cl)cc1Cl ZINC000009599244 170382595 /nfs/dbraw/zinc/38/25/95/170382595.db2.gz UEFPMVJFCOWSHU-UHFFFAOYSA-N 0 0 297.185 3.573 50 0 CHAARN COc1ccccc1NC(=O)c1ccc(Cl)cc1F ZINC000009609463 170382990 /nfs/dbraw/zinc/38/29/90/170382990.db2.gz BPZNNDRZZCAWON-UHFFFAOYSA-N 0 0 279.698 3.740 50 0 CHAARN Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000009721895 170384907 /nfs/dbraw/zinc/38/49/07/170384907.db2.gz DDZMBFBCIKFKBS-SECBINFHSA-N 0 0 291.782 3.731 50 0 CHAARN CCOc1cccc(NC(=O)c2cccc(OCC)c2)c1 ZINC000009817137 170386157 /nfs/dbraw/zinc/38/61/57/170386157.db2.gz FYDXCLIJGVVPBS-UHFFFAOYSA-N 0 0 285.343 3.736 50 0 CHAARN COc1ccc([C@@H]2C[C@H]2C(=O)c2nc3ccccc3[nH]2)cc1 ZINC000009913686 170390627 /nfs/dbraw/zinc/39/06/27/170390627.db2.gz WWSLKYBYLDZCGQ-UONOGXRCSA-N 0 0 292.338 3.558 50 0 CHAARN Cc1cccc(CSCc2ccc(C(N)=O)cc2)c1 ZINC000009936780 170391063 /nfs/dbraw/zinc/39/10/63/170391063.db2.gz FZLHYSMASOYLBJ-UHFFFAOYSA-N 0 0 271.385 3.527 50 0 CHAARN Cc1ccc(C)c(NC(=O)c2sc3ncccc3c2N)c1 ZINC000010010001 170394976 /nfs/dbraw/zinc/39/49/76/170394976.db2.gz QCVKFKBBHIEIJK-UHFFFAOYSA-N 0 0 297.383 3.748 50 0 CHAARN COc1ccccc1NC(=O)/C=C/c1cccc(C)c1 ZINC000010025864 170395848 /nfs/dbraw/zinc/39/58/48/170395848.db2.gz NVGMIZOYUFJHJV-ZHACJKMWSA-N 0 0 267.328 3.656 50 0 CHAARN COc1ccc([C@H](NC(=O)NC2CCCC2)C(C)C)cc1 ZINC000010036174 170396146 /nfs/dbraw/zinc/39/61/46/170396146.db2.gz TYGGQQUSUJYLFB-MRXNPFEDSA-N 0 0 290.407 3.634 50 0 CHAARN CC(C)[C@@H](NC(=O)NC1CCCC1)c1ccccc1 ZINC000010036176 170396238 /nfs/dbraw/zinc/39/62/38/170396238.db2.gz XHAKVWNTLXVQHF-OAHLLOKOSA-N 0 0 260.381 3.626 50 0 CHAARN Cc1nc(/C=C/C(=O)N(C)[C@@H](C)c2ccccc2)cs1 ZINC000010035615 170396512 /nfs/dbraw/zinc/39/65/12/170396512.db2.gz CNALMXFAMHWZOD-VMPCVLLUSA-N 0 0 286.400 3.684 50 0 CHAARN C[C@H](NC(=O)c1ccc[nH]c1=S)c1cccc(Cl)c1 ZINC000010109331 170397256 /nfs/dbraw/zinc/39/72/56/170397256.db2.gz JJRHAIWRFQKQLK-VIFPVBQESA-N 0 0 292.791 3.889 50 0 CHAARN Cc1ccc(CCC(=O)N2CCc3ccccc3C2)cc1 ZINC000010328120 170404530 /nfs/dbraw/zinc/40/45/30/170404530.db2.gz VCXCGHKQYDGHIU-UHFFFAOYSA-N 0 0 279.383 3.513 50 0 CHAARN COc1ccc2cc(C(=O)Nc3ccccc3)c(C)nc2c1 ZINC000010403074 170405992 /nfs/dbraw/zinc/40/59/92/170405992.db2.gz LJWHLDUGGKWGPY-UHFFFAOYSA-N 0 0 292.338 3.804 50 0 CHAARN O=C(C1CC1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000012075845 170468643 /nfs/dbraw/zinc/46/86/43/170468643.db2.gz FWOXWVMSHZJGTQ-LBPRGKRZSA-N 0 0 293.357 3.546 50 0 CHAARN CCc1ccccc1NC(=O)c1ccc2nnsc2c1 ZINC000012274817 170474850 /nfs/dbraw/zinc/47/48/50/170474850.db2.gz HEXBFAWWUNGBHO-UHFFFAOYSA-N 0 0 283.356 3.506 50 0 CHAARN Cc1cc(C)c2nc(C)cc(NC(=O)c3ccccn3)c2c1 ZINC000012421892 170487691 /nfs/dbraw/zinc/48/76/91/170487691.db2.gz NQTJFFNCOUGUQS-UHFFFAOYSA-N 0 0 291.354 3.807 50 0 CHAARN COc1cccc(CC[C@@H]2CCCN(C(=O)C(C)C)C2)c1 ZINC000012466547 170489404 /nfs/dbraw/zinc/48/94/04/170489404.db2.gz ICKZBCNHRGNWTP-INIZCTEOSA-N 0 0 289.419 3.522 50 0 CHAARN O=C(CCCc1nc2ccccc2s1)Nc1ccccn1 ZINC000012527148 170493477 /nfs/dbraw/zinc/49/34/77/170493477.db2.gz RUNVYBKIXXVKFS-UHFFFAOYSA-N 0 0 297.383 3.653 50 0 CHAARN O=C(CC1CC1)N1CCC[C@H](CCc2cccc(F)c2)C1 ZINC000012595669 170499909 /nfs/dbraw/zinc/49/99/09/170499909.db2.gz FWCZMWDESHOXTF-MRXNPFEDSA-N 0 0 289.394 3.797 50 0 CHAARN Cc1cccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)n1 ZINC000012631772 170501673 /nfs/dbraw/zinc/50/16/73/170501673.db2.gz HRKYZGPNKMKORF-UVTDQMKNSA-N 0 0 296.351 3.631 50 0 CHAARN O=C1[C@@H]2CC=CC[C@H]2[C@H]2c3[nH]c4ccccc4c3CCCN12 ZINC000012654476 170503175 /nfs/dbraw/zinc/50/31/75/170503175.db2.gz XUWVWNMIJTWBHD-RKVPGOIHSA-N 0 0 292.382 3.580 50 0 biogenic CHAARN O=C(c1ccccc1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000012704681 170504264 /nfs/dbraw/zinc/50/42/64/170504264.db2.gz VMFXXPQKHRLNJE-QGZVFWFLSA-N 0 0 298.361 3.542 50 0 CHAARN CC(=O)Nc1cccc(NC(=O)CCC2CCCC2)c1 ZINC000012772328 170509451 /nfs/dbraw/zinc/50/94/51/170509451.db2.gz KYZRHZPEFUVQPL-UHFFFAOYSA-N 0 0 274.364 3.554 50 0 CHAARN COc1cccc2cc(/C=C3/C(=O)Nc4ccccc43)oc21 ZINC000012796937 170511420 /nfs/dbraw/zinc/51/14/20/170511420.db2.gz QTNCTACZLLTUDS-GXDHUFHOSA-N 0 0 291.306 3.934 50 0 CHAARN O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccsc1 ZINC000012821515 170513266 /nfs/dbraw/zinc/51/32/66/170513266.db2.gz FMLKTYHACGRTPA-NXEZZACHSA-N 0 0 277.311 3.599 50 0 CHAARN CC1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000013022301 170529205 /nfs/dbraw/zinc/52/92/05/170529205.db2.gz SLQUIRWQECHCOF-UHFFFAOYSA-N 0 0 284.403 3.749 50 0 CHAARN COc1ccc(NC(=O)Cc2ccsc2)cc1Cl ZINC000013137639 170535764 /nfs/dbraw/zinc/53/57/64/170535764.db2.gz XXJRQLVKGKYRCQ-UHFFFAOYSA-N 0 0 281.764 3.591 50 0 CHAARN COc1ccc(NC(=O)Cc2ccc(Cl)cc2)c(C)c1 ZINC000013325398 170544264 /nfs/dbraw/zinc/54/42/64/170544264.db2.gz KFQBNIDQCVNOFQ-UHFFFAOYSA-N 0 0 289.762 3.838 50 0 CHAARN C[C@@H]1C[C@H](C)CN(C(=O)c2c(F)cccc2Cl)C1 ZINC000013331807 170545789 /nfs/dbraw/zinc/54/57/89/170545789.db2.gz OZLWDXMRNXZBLM-AOOOYVTPSA-N 0 0 269.747 3.597 50 0 CHAARN Cc1coc2c1c(C)cc1o/c(=N/O)c3c(c21)CCC3 ZINC000013691108 170579398 /nfs/dbraw/zinc/57/93/98/170579398.db2.gz NVTWOLKXBPCCLU-WUKNDPDISA-N 0 0 269.300 3.574 50 0 CHAARN Cc1cccc(NC(=O)CCn2ccc3ccc(F)cc32)n1 ZINC000013730399 170583248 /nfs/dbraw/zinc/58/32/48/170583248.db2.gz QWQLTVSBGZHYQI-UHFFFAOYSA-N 0 0 297.333 3.513 50 0 CHAARN Fc1nc(F)c(Cl)c(NCc2cccnc2)c1Cl ZINC000013734319 170583634 /nfs/dbraw/zinc/58/36/34/170583634.db2.gz UBTLOYPOMGYJDS-UHFFFAOYSA-N 0 0 290.100 3.674 50 0 CHAARN COc1ccc(-c2nc(C3CCCCC3)no2)cc1 ZINC000013894504 170606914 /nfs/dbraw/zinc/60/69/14/170606914.db2.gz VLWDCKAPEGKTFL-UHFFFAOYSA-N 0 0 258.321 3.793 50 0 CHAARN COc1cc(C(=O)Nc2ccc(F)cc2C)ccc1C ZINC000014167987 170621147 /nfs/dbraw/zinc/62/11/47/170621147.db2.gz JTPVBNZOMPZFAO-UHFFFAOYSA-N 0 0 273.307 3.703 50 0 CHAARN Cc1noc2nc(C)cc(C(=O)Nc3cc(C)ccc3C)c12 ZINC000014179585 170621870 /nfs/dbraw/zinc/62/18/70/170621870.db2.gz SXBDMPQGXCSNJJ-UHFFFAOYSA-N 0 0 295.342 3.709 50 0 CHAARN COc1ccnc(N[C@@H](C)c2cccc3ccccc32)n1 ZINC000014240308 170627697 /nfs/dbraw/zinc/62/76/97/170627697.db2.gz MQXHWHLYMCAUHS-LBPRGKRZSA-N 0 0 279.343 3.812 50 0 CHAARN Cc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000014291433 170631418 /nfs/dbraw/zinc/63/14/18/170631418.db2.gz ZALLNTWDQFUYNJ-UHFFFAOYSA-N 0 0 295.791 3.590 50 0 CHAARN CC(C)Oc1ccc(C[C@@H]2c3ccccc3NC2=O)cc1 ZINC000015017177 170653903 /nfs/dbraw/zinc/65/39/03/170653903.db2.gz HXWWYKNXRFHIFT-MRXNPFEDSA-N 0 0 281.355 3.752 50 0 CHAARN C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccco1 ZINC000015497010 170669118 /nfs/dbraw/zinc/66/91/18/170669118.db2.gz IXNNTRXTHCFUMW-SECBINFHSA-N 0 0 264.712 3.816 50 0 CHAARN Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(C)cc1 ZINC000015515625 170669559 /nfs/dbraw/zinc/66/95/59/170669559.db2.gz AQGDTTNJDBLFER-UHFFFAOYSA-N 0 0 278.355 3.715 50 0 CHAARN Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccc(F)c1 ZINC000015594022 170672475 /nfs/dbraw/zinc/67/24/75/170672475.db2.gz UDROSEKUUCHUPX-CYBMUJFWSA-N 0 0 287.334 3.849 50 0 CHAARN Cc1ccc([C@@H]2CCCN2C(=O)c2ccco2)cc1 ZINC000015671001 170674096 /nfs/dbraw/zinc/67/40/96/170674096.db2.gz FDCCWCGAWCBYJS-AWEZNQCLSA-N 0 0 255.317 3.565 50 0 CHAARN O=C(c1cc2ccccc2[nH]1)c1c[nH]c2ccccc12 ZINC000015779808 170677088 /nfs/dbraw/zinc/67/70/88/170677088.db2.gz ZYCSHQBGKAGFMY-UHFFFAOYSA-N 0 0 260.296 3.880 50 0 CHAARN 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C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000170639049 567042206 /nfs/dbraw/zinc/04/22/06/567042206.db2.gz UDOJEJIANPNXBI-UONOGXRCSA-N 0 0 297.402 3.727 50 0 CHAARN Cc1nc2ncnn2c(NCC2CCCCCCC2)c1C ZINC000170637092 567042234 /nfs/dbraw/zinc/04/22/34/567042234.db2.gz UURNZFGWAGSHQK-UHFFFAOYSA-N 0 0 287.411 3.514 50 0 CHAARN CC(C)Oc1ccc([C@H]2Nc3ccccc3C(=O)N2C)cc1 ZINC000054426346 567042527 /nfs/dbraw/zinc/04/25/27/567042527.db2.gz GXSMCWZPRQXMDS-KRWDZBQOSA-N 0 0 296.370 3.670 50 0 CHAARN CCN(C(=O)CCc1nccs1)c1cc(C)cc(C)c1 ZINC000065777724 567045069 /nfs/dbraw/zinc/04/50/69/567045069.db2.gz OZMOEMSEILICAU-UHFFFAOYSA-N 0 0 288.416 3.746 50 0 CHAARN Cc1cccc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000000130434 567054868 /nfs/dbraw/zinc/05/48/68/567054868.db2.gz MEPARACOEVQCIE-UHFFFAOYSA-N 0 0 261.712 3.687 50 0 CHAARN Cc1ccc(CNc2ccc(-n3cccn3)cc2C)c(C)n1 ZINC000252484635 567058267 /nfs/dbraw/zinc/05/82/67/567058267.db2.gz GBYQUQPPALKTMP-UHFFFAOYSA-N 0 0 292.386 3.805 50 0 CHAARN Cc1csc2nc(C)nc(N[C@@H](C)c3ccncc3)c12 ZINC000193370339 567058446 /nfs/dbraw/zinc/05/84/46/567058446.db2.gz DHGQOANNYBDZCC-JTQLQIEISA-N 0 0 284.388 3.876 50 0 CHAARN CC(C)C[C@H]1CCCCCN1C(=O)c1cn(C(C)C)cn1 ZINC000252490961 567059757 /nfs/dbraw/zinc/05/97/57/567059757.db2.gz LGJKUTSVKFMCNI-OAHLLOKOSA-N 0 0 291.439 3.895 50 0 CHAARN C[C@@H]1C[C@@H]1C(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000252517215 567063101 /nfs/dbraw/zinc/06/31/01/567063101.db2.gz BZZXZXRGDZWMQH-FIXIBIHLSA-N 0 0 273.376 3.550 50 0 CHAARN CC[C@]1(C)Oc2ccc(NCc3ccccn3)cc2O1 ZINC000195574624 567070091 /nfs/dbraw/zinc/07/00/91/567070091.db2.gz JKCZDFYHPPEFTH-MRXNPFEDSA-N 0 0 270.332 3.591 50 0 CHAARN O=C(c1ccoc1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000011264816 567074679 /nfs/dbraw/zinc/07/46/79/567074679.db2.gz CIBAHXMGRYYETQ-UHFFFAOYSA-N 0 0 294.354 3.781 50 0 CHAARN COc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1 ZINC000000187297 567074960 /nfs/dbraw/zinc/07/49/60/567074960.db2.gz KUBDBBJWTNIOKB-UHFFFAOYSA-N 0 0 298.367 3.866 50 0 CHAARN C[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@H]1CC[C@H]2O)CC(=O)CC4 ZINC000079873433 567085058 /nfs/dbraw/zinc/08/50/58/567085058.db2.gz BAZGVDKAIHZPOH-ZKXLYKBJSA-N 0 0 274.404 3.633 50 0 biogenic CHAARN COC(=O)c1cc(Cl)nc(-c2ccc(Cl)cc2)c1 ZINC000044672193 567088626 /nfs/dbraw/zinc/08/86/26/567088626.db2.gz LMJZLOLWCJOUTG-UHFFFAOYSA-N 0 0 282.126 3.842 50 0 CHAARN C[C@]12CC[C@@H]3C4=C(CC[C@@H]3[C@@H]1CCC2=O)CC(=O)CC4 ZINC000021992660 567089106 /nfs/dbraw/zinc/08/91/06/567089106.db2.gz RORYLAUXKSWMQL-CVYDXHPNSA-N 0 0 272.388 3.841 50 0 CHAARN OC1(c2ccccc2Br)CCCCC1 ZINC000142931162 567092441 /nfs/dbraw/zinc/09/24/41/567092441.db2.gz IYKXLFAJLQNFHB-UHFFFAOYSA-N 0 0 255.155 3.601 50 0 CHAARN Cc1ccc(-n2nccc2-c2ccc(F)cc2O)cc1 ZINC000116711251 567093312 /nfs/dbraw/zinc/09/33/12/567093312.db2.gz FMJNNCUZOXVUPG-UHFFFAOYSA-N 0 0 268.291 3.692 50 0 CHAARN O=C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 ZINC000138151572 567093621 /nfs/dbraw/zinc/09/36/21/567093621.db2.gz SKEWIPNLYIKMPP-ZDUSSCGKSA-N 0 0 260.296 3.850 50 0 CHAARN CCCCCc1nc(=O)c2c3c(sc2[nH]1)CC[C@H](C)C3 ZINC000002344372 567099847 /nfs/dbraw/zinc/09/98/47/567099847.db2.gz SHUJIRCATPVWAA-JTQLQIEISA-N 0 0 290.432 3.842 50 0 CHAARN CC1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000230531812 567107984 /nfs/dbraw/zinc/10/79/84/567107984.db2.gz XJVAPSKCLTXSIS-UHFFFAOYSA-N 0 0 286.188 3.820 50 0 CHAARN CC1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000065208357 567110733 /nfs/dbraw/zinc/11/07/33/567110733.db2.gz IJHWVUOLVBZFBS-UHFFFAOYSA-N 0 0 286.188 3.820 50 0 CHAARN c1ccc(Sc2ncnc3c4ccccc4oc32)nc1 ZINC000037868880 567115616 /nfs/dbraw/zinc/11/56/16/567115616.db2.gz DPEHOXYNMRXRAB-UHFFFAOYSA-N 0 0 279.324 3.922 50 0 CHAARN O=C(Nc1nc2ccccc2[nH]1)c1cccc2ccccc21 ZINC000013218630 567115746 /nfs/dbraw/zinc/11/57/46/567115746.db2.gz OAEVJRRNGZZMHV-UHFFFAOYSA-N 0 0 287.322 3.968 50 0 CHAARN Nc1cccn2cc(-c3ccc(Cl)cc3Cl)nc12 ZINC000019733917 567122384 /nfs/dbraw/zinc/12/23/84/567122384.db2.gz FCXGRIVUGHLFFH-UHFFFAOYSA-N 0 0 278.142 3.890 50 0 CHAARN FC(F)(F)c1cccc([C@@H](NCc2ncc[nH]2)C2CC2)c1 ZINC000094015098 567123005 /nfs/dbraw/zinc/12/30/05/567123005.db2.gz XNYHUGVTTHBFLD-AWEZNQCLSA-N 0 0 295.308 3.669 50 0 CHAARN CC(=O)CCc1ccc(OCc2ccccc2)cc1 ZINC000019806324 567123529 /nfs/dbraw/zinc/12/35/29/567123529.db2.gz CHNZGXYUBUDBID-UHFFFAOYSA-N 0 0 254.329 3.787 50 0 CHAARN CC(C)C[C@@H]1SCC(=O)Nc2c1cnn2C(C)C ZINC000079481773 567124162 /nfs/dbraw/zinc/12/41/62/567124162.db2.gz VNGCDHWREZEFKO-NSHDSACASA-N 0 0 267.398 3.886 50 0 CHAARN Cc1ccccc1C(=O)NCc1ccc(-c2ccoc2)nc1 ZINC000390831908 567125348 /nfs/dbraw/zinc/12/53/48/567125348.db2.gz VWUHMJNLOYGFSA-UHFFFAOYSA-N 0 0 292.338 3.580 50 0 CHAARN CCOc1cc(C)c(NC(=O)c2ccoc2)cc1C ZINC000330033008 567125462 /nfs/dbraw/zinc/12/54/62/567125462.db2.gz VNBWZMPZCHNTLW-UHFFFAOYSA-N 0 0 259.305 3.547 50 0 CHAARN C[C@@H](Sc1ncc2ccccn21)c1cccnc1 ZINC000079576199 567126978 /nfs/dbraw/zinc/12/69/78/567126978.db2.gz MBSRKSNIXJQOKY-LLVKDONJSA-N 0 0 255.346 3.583 50 0 CHAARN C[C@H](N[C@@H](c1ccccc1)c1ccccn1)c1ccncc1 ZINC000095349342 567129551 /nfs/dbraw/zinc/12/95/51/567129551.db2.gz HDYGSCJCLQWHCD-KXBFYZLASA-N 0 0 289.382 3.917 50 0 CHAARN CCn1cc(CNc2ccc3oc(C(C)C)nc3c2)cn1 ZINC000095428562 567130589 /nfs/dbraw/zinc/13/05/89/567130589.db2.gz SCQGBZDLALWGSU-UHFFFAOYSA-N 0 0 284.363 3.780 50 0 CHAARN Cc1nc([C@@H](C)N[C@@H](C)c2cnn(C(C)C)c2)cs1 ZINC000095422168 567131118 /nfs/dbraw/zinc/13/11/18/567131118.db2.gz DXOAEFMLFRGKTR-WDEREUQCSA-N 0 0 278.425 3.641 50 0 CHAARN C[C@@H]1CCC[C@@H](OC(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC000095440702 567134562 /nfs/dbraw/zinc/13/45/62/567134562.db2.gz YBEFTGFFYUMQSQ-WZRBSPASSA-N 0 0 295.404 3.730 50 0 CHAARN CC(C)(C)C(=O)Nc1ccc2cccc(Cl)c2n1 ZINC000095468467 567135947 /nfs/dbraw/zinc/13/59/47/567135947.db2.gz LUNXIQZMFIJHPZ-UHFFFAOYSA-N 0 0 262.740 3.873 50 0 CHAARN Cc1c(-c2ccccc2)nn2c1nccc2-c1ccncc1 ZINC000095474511 567136507 /nfs/dbraw/zinc/13/65/07/567136507.db2.gz GXWTUJJWQGSFAC-UHFFFAOYSA-N 0 0 286.338 3.767 50 0 CHAARN Cc1ccc(/C=C\C(=O)NC(C2CC2)C2CC2)cc1Cl ZINC000096297779 567140296 /nfs/dbraw/zinc/14/02/96/567140296.db2.gz BJAIXPJWWGGTET-WTKPLQERSA-N 0 0 289.806 3.966 50 0 CHAARN O=C(N1CCCc2ccccc21)C1(c2ccc(F)cc2)CC1 ZINC000021695555 567141882 /nfs/dbraw/zinc/14/18/82/567141882.db2.gz STIUOCJXYFEMRQ-UHFFFAOYSA-N 0 0 295.357 3.837 50 0 CHAARN CSc1c(F)cc(NCc2cncs2)cc1F ZINC000097106920 567143373 /nfs/dbraw/zinc/14/33/73/567143373.db2.gz ZOKSVBNXMUDJOX-UHFFFAOYSA-N 0 0 272.345 3.755 50 0 CHAARN c1nc(-c2cccc(N[C@@H]3CCc4ccccc43)c2)n[nH]1 ZINC000097038200 567144477 /nfs/dbraw/zinc/14/44/77/567144477.db2.gz VTXJRBDBNUKDLF-MRXNPFEDSA-N 0 0 276.343 3.571 50 0 CHAARN O=C(NCc1cccnc1-c1ccco1)Nc1ccccc1 ZINC000225662318 567145366 /nfs/dbraw/zinc/14/53/66/567145366.db2.gz SUBMCDGGYGPHRX-UHFFFAOYSA-N 0 0 293.326 3.663 50 0 CHAARN Cc1ccc2[nH]c3nc(SCC(C)C)nnc3c2c1 ZINC000002481973 567146022 /nfs/dbraw/zinc/14/60/22/567146022.db2.gz YDFDXOPWBCQOAN-UHFFFAOYSA-N 0 0 272.377 3.563 50 0 CHAARN COC(=O)c1ccc2occ(C(=O)c3ccc(F)cc3)c2c1 ZINC000002489126 567146707 /nfs/dbraw/zinc/14/67/07/567146707.db2.gz LCOFOQLWVKJDRG-UHFFFAOYSA-N 0 0 298.269 3.590 50 0 CHAARN COC(=O)Nc1cccc(NC(=O)c2ccc(C)c(C)c2)c1 ZINC000055513003 567147159 /nfs/dbraw/zinc/14/71/59/567147159.db2.gz BRNIQVWRQLFNGL-UHFFFAOYSA-N 0 0 298.342 3.734 50 0 CHAARN CC1=CC2=N[C@@](c3ccccc3)(C(C)(C)C)NC(=O)N2C=C1 ZINC000028294333 567150203 /nfs/dbraw/zinc/15/02/03/567150203.db2.gz XCDOQDSBYZIZCQ-GOSISDBHSA-N 0 0 295.386 3.783 50 0 CHAARN Nc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000002647757 567151024 /nfs/dbraw/zinc/15/10/24/567151024.db2.gz LUBNVJCODFPUKS-UHFFFAOYSA-N 0 0 269.735 3.775 50 0 CHAARN Cc1cccc(NC(=O)CCOc2ccccc2)c1C ZINC000002652536 567151197 /nfs/dbraw/zinc/15/11/97/567151197.db2.gz GGODLRTUMXSNHU-UHFFFAOYSA-N 0 0 269.344 3.711 50 0 CHAARN COc1cccc([C@@H]2C[C@@H](C(F)F)n3nc(C)cc3N2)c1 ZINC000002782789 567153177 /nfs/dbraw/zinc/15/31/77/567153177.db2.gz BZSSGLDTIRUCRE-STQMWFEESA-N 0 0 293.317 3.563 50 0 CHAARN COC(=O)N1[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000002839298 567153397 /nfs/dbraw/zinc/15/33/97/567153397.db2.gz RCDUNEOSRBMNMC-HUUCEWRRSA-N 0 0 253.301 3.551 50 0 CHAARN Cc1ccc(N(C)C(=O)c2cc(-c3cccs3)[nH]n2)cc1 ZINC000057413146 567154798 /nfs/dbraw/zinc/15/47/98/567154798.db2.gz NYKDJKRBZUNJMO-UHFFFAOYSA-N 0 0 297.383 3.723 50 0 CHAARN C[C@H](Oc1ccccc1)c1ccnn1C(=O)c1ccccc1 ZINC000003027689 567157515 /nfs/dbraw/zinc/15/75/15/567157515.db2.gz MWCSAJIQOGGNNE-AWEZNQCLSA-N 0 0 292.338 3.712 50 0 CHAARN CCOc1ccc(N[C@H](C)C(=O)N(C(C)C)C(C)C)cc1 ZINC000057634863 567161111 /nfs/dbraw/zinc/16/11/11/567161111.db2.gz CZSBSTTWJATWJS-CQSZACIVSA-N 0 0 292.423 3.531 50 0 CHAARN CC1(C)c2ccccc2C(=O)N(c2ccccc2Cl)C1=O ZINC000003200253 567163246 /nfs/dbraw/zinc/16/32/46/567163246.db2.gz ZUWUBMKCDVTZBY-UHFFFAOYSA-N 0 0 299.757 3.805 50 0 CHAARN Clc1cccc(CSc2nnc3ccccn32)c1 ZINC000003259109 567165204 /nfs/dbraw/zinc/16/52/04/567165204.db2.gz VASHRSKNRCFKGD-UHFFFAOYSA-N 0 0 275.764 3.675 50 0 CHAARN Cc1csc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)n1 ZINC000003413665 567172435 /nfs/dbraw/zinc/17/24/35/567172435.db2.gz MWNVPSFWRDTFSO-NSHDSACASA-N 0 0 292.429 3.879 50 0 CHAARN CC(C)CCNC(=S)Nc1cccc(Cl)c1 ZINC000003429204 567174130 /nfs/dbraw/zinc/17/41/30/567174130.db2.gz ANQDAIVHODPUJY-UHFFFAOYSA-N 0 0 256.802 3.673 50 0 CHAARN CCc1ccc2nc(NC(=O)C3CCC3)sc2c1 ZINC000003528673 567175602 /nfs/dbraw/zinc/17/56/02/567175602.db2.gz CIBKWDWTCWNYDX-UHFFFAOYSA-N 0 0 260.362 3.597 50 0 CHAARN CCCOc1ccccc1NC(=O)NC1CCCC1 ZINC000031023652 567175865 /nfs/dbraw/zinc/17/58/65/567175865.db2.gz YYLXFZSYMHJLCA-UHFFFAOYSA-N 0 0 262.353 3.540 50 0 CHAARN CCc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000003561457 567177508 /nfs/dbraw/zinc/17/75/08/567177508.db2.gz SLHCMFUATGDMBT-UHFFFAOYSA-N 0 0 279.261 3.919 50 0 CHAARN O=C(Cc1ccc(Cl)cc1)NCc1ccccc1Cl ZINC000003562330 567177664 /nfs/dbraw/zinc/17/76/64/567177664.db2.gz NALVEGBYEYXARI-UHFFFAOYSA-N 0 0 294.181 3.852 50 0 CHAARN O=C(Nc1cccc(F)c1)c1cccc(OC(F)F)c1 ZINC000003548434 567177729 /nfs/dbraw/zinc/17/77/29/567177729.db2.gz ZPDMEGDDYBYFFF-UHFFFAOYSA-N 0 0 281.233 3.679 50 0 CHAARN C[C@H](NC(=O)c1ccc2scnc2c1)C1=CCCCC1 ZINC000670448134 567179085 /nfs/dbraw/zinc/17/90/85/567179085.db2.gz HULCXBDCODDFOI-NSHDSACASA-N 0 0 286.400 3.915 50 0 CHAARN CSc1ccc([C@@H](C)NC(=O)[C@H]2CC=CCC2)cc1 ZINC000031695227 567182117 /nfs/dbraw/zinc/18/21/17/567182117.db2.gz MZCFASOPNDEOPM-OCCSQVGLSA-N 0 0 275.417 3.942 50 0 CHAARN CCCCn1nc(C2CC2)nc1Cc1ccsc1 ZINC000670453837 567182368 /nfs/dbraw/zinc/18/23/68/567182368.db2.gz AOOVIIQORQZLBU-UHFFFAOYSA-N 0 0 261.394 3.608 50 0 CHAARN COc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000004008429 567182555 /nfs/dbraw/zinc/18/25/55/567182555.db2.gz OMASLUDIWXPEHY-UHFFFAOYSA-N 0 0 270.263 3.551 50 0 CHAARN Fc1cc(Cl)ccc1-c1nn2c(nnc2C2CC2)s1 ZINC000032072445 567186787 /nfs/dbraw/zinc/18/67/87/567186787.db2.gz QHCUODDZPDBBOJ-UHFFFAOYSA-N 0 0 294.742 3.523 50 0 CHAARN O=C(C[C@H]1C=CCC1)Nc1cccc(Oc2ncccn2)c1 ZINC000032027015 567186986 /nfs/dbraw/zinc/18/69/86/567186986.db2.gz AFUQTZITZBNMKD-ZDUSSCGKSA-N 0 0 295.342 3.564 50 0 CHAARN CCCCn1nc(C2CC2)nc1CCc1ccc(OC)cc1 ZINC000670457449 567187666 /nfs/dbraw/zinc/18/76/66/567187666.db2.gz FINUXOWWLWNCPF-UHFFFAOYSA-N 0 0 299.418 3.749 50 0 CHAARN C[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@H]1CC[C@@H]2O)CC(=O)CC4 ZINC000004082030 567187722 /nfs/dbraw/zinc/18/77/22/567187722.db2.gz BAZGVDKAIHZPOH-DZVNLGKHSA-N 0 0 274.404 3.633 50 0 biogenic CHAARN Cc1ccccc1[C@H](C)NC(=O)c1ccc2cc[nH]c2c1 ZINC000032480189 567192055 /nfs/dbraw/zinc/19/20/55/567192055.db2.gz QFNKGUGQLAUCQU-ZDUSSCGKSA-N 0 0 278.355 3.967 50 0 CHAARN Cc1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)no1 ZINC000067790877 567196699 /nfs/dbraw/zinc/19/66/99/567196699.db2.gz DNKKZCXTHNTAKX-UHFFFAOYSA-N 0 0 293.326 3.979 50 0 CHAARN Cc1c(=O)c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000067340175 567196765 /nfs/dbraw/zinc/19/67/65/567196765.db2.gz VTDXJVOPTKSOTR-UHFFFAOYSA-N 0 0 253.276 3.643 50 0 CHAARN c1ccc(CCn2nc(C3CC3)nc2C2CCC2)cc1 ZINC000670472632 567197130 /nfs/dbraw/zinc/19/71/30/567197130.db2.gz VQJKKQRPNHKLTA-UHFFFAOYSA-N 0 0 267.376 3.666 50 0 CHAARN CCN(CCC(F)(F)F)C(=O)c1cc(C)cc(C)c1 ZINC000069439430 567200274 /nfs/dbraw/zinc/20/02/74/567200274.db2.gz LRRZYFOOFOCMLB-UHFFFAOYSA-N 0 0 273.298 3.718 50 0 CHAARN Cc1ccsc1-c1nnc(SCc2ccccn2)o1 ZINC000069567620 567202047 /nfs/dbraw/zinc/20/20/47/567202047.db2.gz GPICZIGAPRYSNS-UHFFFAOYSA-N 0 0 289.385 3.794 50 0 CHAARN CCc1ccc(CCC(=O)N2CCCCCC2)cc1 ZINC000010332237 567203930 /nfs/dbraw/zinc/20/39/30/567203930.db2.gz MRGYKVWVTXIIKG-UHFFFAOYSA-N 0 0 259.393 3.584 50 0 CHAARN CCN(CC)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000010313799 567204576 /nfs/dbraw/zinc/20/45/76/567204576.db2.gz SSGHYQFEHIZUBX-UHFFFAOYSA-N 0 0 261.409 3.785 50 0 CHAARN CC(C)(C)C(=O)N(Cc1ccsc1)Cc1ccco1 ZINC000042382001 567205111 /nfs/dbraw/zinc/20/51/11/567205111.db2.gz XKXRFEOHXZUCOE-UHFFFAOYSA-N 0 0 277.389 3.916 50 0 CHAARN CS[C@@H](C)C(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000042849885 567205174 /nfs/dbraw/zinc/20/51/74/567205174.db2.gz ZCHWGLKXTNHSNZ-SMDDNHRTSA-N 0 0 291.441 3.705 50 0 CHAARN Cc1ccc(-c2n[nH]cc2C(=O)NC2CCC(C)CC2)cc1 ZINC000071768893 567205266 /nfs/dbraw/zinc/20/52/66/567205266.db2.gz ZIJLXJSGXJZOSZ-UHFFFAOYSA-N 0 0 297.402 3.694 50 0 CHAARN c1ccc2sc(-c3ccc4c(c3)CCN4)nc2c1 ZINC000036804905 567205349 /nfs/dbraw/zinc/20/53/49/567205349.db2.gz PFXRDQIPGQMTLU-UHFFFAOYSA-N 0 0 252.342 3.931 50 0 CHAARN Cc1ccsc1C(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000057939997 567217609 /nfs/dbraw/zinc/21/76/09/567217609.db2.gz SSPQMLQLBZIIDL-UHFFFAOYSA-N 0 0 299.395 3.692 50 0 CHAARN CCCC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000000052068 567817072 /nfs/dbraw/zinc/81/70/72/567817072.db2.gz QPVSDGIAXFALKT-UHFFFAOYSA-N 0 0 295.795 3.521 50 0 CHAARN CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1 ZINC000000001651 567816604 /nfs/dbraw/zinc/81/66/04/567816604.db2.gz FQQIIPAOSKSOJM-UHFFFAOYSA-N 0 0 276.383 3.678 50 0 biogenic,world CHAARN COc1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000000028327 567816609 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CCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000263490 567823353 /nfs/dbraw/zinc/82/33/53/567823353.db2.gz ZNWCPLRNPAJLKX-UHFFFAOYSA-N 0 0 276.339 3.652 50 0 CHAARN Cc1cccc2sc(NC(=O)c3ccc(F)cc3)nc21 ZINC000000253351 567823359 /nfs/dbraw/zinc/82/33/59/567823359.db2.gz WVSPBJVONYEBHI-UHFFFAOYSA-N 0 0 286.331 3.996 50 0 CHAARN Cc1ccc(-c2cc3nc(C)c(Cl)c(C)n3n2)cc1 ZINC000000272695 567823604 /nfs/dbraw/zinc/82/36/04/567823604.db2.gz ZNYHBCRQCNEKPL-UHFFFAOYSA-N 0 0 271.751 3.975 50 0 CHAARN COc1ccc(C(=O)Nc2cc(C)ccc2C)c(OC)c1 ZINC000000288828 567823879 /nfs/dbraw/zinc/82/38/79/567823879.db2.gz FFGCLEBAKYAVEC-UHFFFAOYSA-N 0 0 285.343 3.573 50 0 CHAARN Cc1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000000290618 567823949 /nfs/dbraw/zinc/82/39/49/567823949.db2.gz QFGQKZTXYFTFRW-UHFFFAOYSA-N 0 0 280.121 3.603 50 0 CHAARN COc1ccc(C(=O)Nc2ccccc2Cl)cc1OC ZINC000000293064 567824234 /nfs/dbraw/zinc/82/42/34/567824234.db2.gz IWUMYYACIJWYBI-UHFFFAOYSA-N 0 0 291.734 3.610 50 0 CHAARN C[C@@H](NC(=O)c1ccccc1)c1ccc(Cl)cc1 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Cc1noc(C)c1Cn1c2ccccc2nc1C(F)(F)F ZINC000028775416 567883981 /nfs/dbraw/zinc/88/39/81/567883981.db2.gz UJPOAFHFCFXENX-UHFFFAOYSA-N 0 0 295.264 3.708 50 0 CHAARN c1ccc(NCc2ccc(CNc3ccccn3)cc2)nc1 ZINC000028863086 567883989 /nfs/dbraw/zinc/88/39/89/567883989.db2.gz KBVFRXIGQQRMEF-UHFFFAOYSA-N 0 0 290.370 3.701 50 0 in-vitro CHAARN CCc1cc(C(=O)N2CCn3cccc3[C@@H]2C)sc1C ZINC000030264864 567884378 /nfs/dbraw/zinc/88/43/78/567884378.db2.gz FCDCECOVFILRJQ-NSHDSACASA-N 0 0 288.416 3.637 50 0 CHAARN Cc1ccc(CN[C@H](c2nccn2C)c2ccccc2)cc1 ZINC000030643119 567884642 /nfs/dbraw/zinc/88/46/42/567884642.db2.gz AOGVGAGEVYOQTD-SFHVURJKSA-N 0 0 291.398 3.608 50 0 CHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000030768710 567884730 /nfs/dbraw/zinc/88/47/30/567884730.db2.gz HSKQJGLTSJUKRE-UHFFFAOYSA-N 0 0 297.807 3.524 50 0 CHAARN Cc1nc(Cl)cc(N[C@@H]2C[C@@H]2c2cccc(F)c2F)n1 ZINC000072302134 567885234 /nfs/dbraw/zinc/88/52/34/567885234.db2.gz FEBJQVFOQIYSSB-MWLCHTKSSA-N 0 0 295.720 3.685 50 0 CHAARN Cc1nc(Cl)cc(N[C@H]2C[C@H]2c2cccc(F)c2F)n1 ZINC000072302137 567885305 /nfs/dbraw/zinc/88/53/05/567885305.db2.gz FEBJQVFOQIYSSB-ONGXEEELSA-N 0 0 295.720 3.685 50 0 CHAARN CCCNC(=S)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011084765 567885812 /nfs/dbraw/zinc/88/58/12/567885812.db2.gz XUEASYUZMVFBGN-UHFFFAOYSA-N 0 0 299.443 3.542 50 0 CHAARN CC(=O)Nc1cccc(-c2ccc3oc(C)nc3c2)c1 ZINC000032586929 567885837 /nfs/dbraw/zinc/88/58/37/567885837.db2.gz ZDSVMQKWMOLOTA-UHFFFAOYSA-N 0 0 266.300 3.762 50 0 CHAARN CC(C)Oc1ccc(Cl)cc1-c1nnc2ccccn21 ZINC000032517846 567885907 /nfs/dbraw/zinc/88/59/07/567885907.db2.gz YVTKSZXNCKKYJG-UHFFFAOYSA-N 0 0 287.750 3.837 50 0 CHAARN COc1cccc(OC)c1-c1cccc(-c2nnc(C)o2)c1 ZINC000032507752 567885929 /nfs/dbraw/zinc/88/59/29/567885929.db2.gz OHHIUVJFZMIQQA-UHFFFAOYSA-N 0 0 296.326 3.729 50 0 CHAARN COC(=O)c1ccccc1-c1ccc2ccccc2n1 ZINC000032592884 567885982 /nfs/dbraw/zinc/88/59/82/567885982.db2.gz HFQMYTAZPQVTRS-UHFFFAOYSA-N 0 0 263.296 3.688 50 0 CHAARN Cc1cc(C)nc(NCc2ccccc2OC(F)(F)F)n1 ZINC000032529821 567886052 /nfs/dbraw/zinc/88/60/52/567886052.db2.gz FKBYGRITWWPJTA-UHFFFAOYSA-N 0 0 297.280 3.604 50 0 CHAARN O=C1CCCc2ccc(OCc3ccccc3)cc21 ZINC000034216393 567886916 /nfs/dbraw/zinc/88/69/16/567886916.db2.gz WGTDBZGNCWHCCL-UHFFFAOYSA-N 0 0 252.313 3.785 50 0 CHAARN CCOC(=O)N(Cc1ccccc1)OCc1ccccc1 ZINC000033903666 567887123 /nfs/dbraw/zinc/88/71/23/567887123.db2.gz ZNCMUGOJWKFPBU-UHFFFAOYSA-N 0 0 285.343 3.777 50 0 CHAARN CCCC(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000000262234 567887266 /nfs/dbraw/zinc/88/72/66/567887266.db2.gz DRSCWSKFWPKNNR-UHFFFAOYSA-N 0 0 281.315 3.628 50 0 CHAARN CCCc1nc2c(o1)C[C@@H](C[C@H](C)SCC)CC2=O ZINC000000196783 567887299 /nfs/dbraw/zinc/88/72/99/567887299.db2.gz KXVYGGBZZONUMV-QWRGUYRKSA-N 0 0 281.421 3.904 50 0 CHAARN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1Cl ZINC000000280246 567887416 /nfs/dbraw/zinc/88/74/16/567887416.db2.gz UTWXADCLUZWBTO-UHFFFAOYSA-N 0 0 275.714 3.806 50 0 CHAARN Cc1cc(C)n2nc(-c3cccc(Cl)c3)cc2n1 ZINC000000280559 567887448 /nfs/dbraw/zinc/88/74/48/567887448.db2.gz PJNIFCMTUFRVGI-UHFFFAOYSA-N 0 0 257.724 3.667 50 0 CHAARN CC(C)OC(=O)c1cn(-c2ccccc2)nc1-c1ccco1 ZINC000002846156 567887458 /nfs/dbraw/zinc/88/74/58/567887458.db2.gz GTCIAVXOEODAPJ-UHFFFAOYSA-N 0 0 296.326 3.698 50 0 CHAARN O=C([C@@H]1C[C@H]1c1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000022343156 567888390 /nfs/dbraw/zinc/88/83/90/567888390.db2.gz SNDWVDLSXFGROJ-CEXWTWQISA-N 0 0 291.394 3.806 50 0 CHAARN Cc1cccc(C=C2NC(=S)N(c3ccccc3)C2=O)c1 ZINC000034927070 567888960 /nfs/dbraw/zinc/88/89/60/567888960.db2.gz LMBBNHOHGGTJFA-RVDMUPIBSA-N 0 0 294.379 3.669 50 0 CHAARN CCCNC(=O)c1ccccc1Nc1ccc(F)cc1 ZINC000032962608 567889124 /nfs/dbraw/zinc/88/91/24/567889124.db2.gz ZDJBFRQJARBYBV-UHFFFAOYSA-N 0 0 272.323 3.709 50 0 CHAARN Cc1c(Cl)cc(Br)c(N)c1Br ZINC000036532702 567889379 /nfs/dbraw/zinc/88/93/79/567889379.db2.gz FHNWENFJPJPLCD-UHFFFAOYSA-N 0 0 299.393 3.756 50 0 CHAARN O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1ccccc1F ZINC000036620788 567889518 /nfs/dbraw/zinc/88/95/18/567889518.db2.gz GOFJDYDNVMXTLL-MRXNPFEDSA-N 0 0 287.309 3.942 50 0 CHAARN CC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000036533647 567889524 /nfs/dbraw/zinc/88/95/24/567889524.db2.gz BVCLQCAMSFVBFX-UHFFFAOYSA-N 0 0 267.044 3.671 50 0 CHAARN O=C(CCC(=O)N1CCCc2ccccc21)c1cccs1 ZINC000032975314 567889562 /nfs/dbraw/zinc/88/95/62/567889562.db2.gz DUUBCPQXFGGAED-UHFFFAOYSA-N 0 0 299.395 3.690 50 0 CHAARN Clc1ccc(OCc2ccccc2Cl)nc1 ZINC000036719662 567889859 /nfs/dbraw/zinc/88/98/59/567889859.db2.gz ATVPODJLKOFMLA-UHFFFAOYSA-N 0 0 254.116 3.967 50 0 CHAARN CCCCOc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000037867317 567890426 /nfs/dbraw/zinc/89/04/26/567890426.db2.gz YZZMLZCSPXWQRI-UHFFFAOYSA-N 0 0 270.332 3.513 50 0 CHAARN Cc1oc2ncnc(Oc3cccc(F)c3)c2c1C ZINC000032996732 567890528 /nfs/dbraw/zinc/89/05/28/567890528.db2.gz PZIYCIQPGRMROF-UHFFFAOYSA-N 0 0 258.252 3.771 50 0 CHAARN Fc1cccc2c(Br)c(Cl)cnc12 ZINC000041702627 567891259 /nfs/dbraw/zinc/89/12/59/567891259.db2.gz YQJJMPKNTAKTOK-UHFFFAOYSA-N 0 0 260.493 3.790 50 0 CHAARN CCCNc1ncccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000033004343 567891275 /nfs/dbraw/zinc/89/12/75/567891275.db2.gz ATULCRQCVAMCFD-UHFFFAOYSA-N 0 0 294.358 3.929 50 0 CHAARN Cc1cc(N2CCc3ccccc32)ncc1Br ZINC000042783508 567891887 /nfs/dbraw/zinc/89/18/87/567891887.db2.gz AFDMQZPZIBSNKX-UHFFFAOYSA-N 0 0 289.176 3.847 50 0 CHAARN Cc1cc(Br)cnc1N1CCCC[C@H]1C ZINC000042783629 567891956 /nfs/dbraw/zinc/89/19/56/567891956.db2.gz TUBTXQSYOBRPMJ-SNVBAGLBSA-N 0 0 269.186 3.531 50 0 CHAARN Clc1nc2c(Br)csc2c(Cl)n1 ZINC000044018808 567892386 /nfs/dbraw/zinc/89/23/86/567892386.db2.gz SELNIRJYLYMJKG-UHFFFAOYSA-N 0 0 283.965 3.761 50 0 CHAARN CCOC(=O)CCC(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000043214444 567892470 /nfs/dbraw/zinc/89/24/70/567892470.db2.gz QXECWRSPWQQGBC-UHFFFAOYSA-N 0 0 276.376 3.755 50 0 CHAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccco1 ZINC000013602739 567892611 /nfs/dbraw/zinc/89/26/11/567892611.db2.gz IHGVDIPDZJMQJZ-BZPMIXESSA-N 0 0 250.338 3.897 50 0 CHAARN FC(F)(F)c1cccc(Nc2cc(Cl)ncn2)c1 ZINC000048631144 567892859 /nfs/dbraw/zinc/89/28/59/567892859.db2.gz PWQVXSLCVWMYTA-UHFFFAOYSA-N 0 0 273.645 3.892 50 0 CHAARN O=C1NC(=S)S[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000048523361 567892876 /nfs/dbraw/zinc/89/28/76/567892876.db2.gz RXTMYPBZUAZHEV-KBPBESRZSA-N 0 0 299.420 3.659 50 0 CHAARN CCc1c(C)nn(-c2cccc(Br)c2)c1C ZINC000049538288 567893522 /nfs/dbraw/zinc/89/35/22/567893522.db2.gz HXUKSRQUJHQPEF-UHFFFAOYSA-N 0 0 279.181 3.814 50 0 CHAARN Cc1ccc(I)cc1C(F)(F)F ZINC000049901269 567893870 /nfs/dbraw/zinc/89/38/70/567893870.db2.gz IRNKYHBUZZWJGM-UHFFFAOYSA-N 0 0 286.034 3.618 50 0 CHAARN Cc1cccc(NC(=O)C[C@@H]2OCCc3ccsc32)c1 ZINC000075458944 567894310 /nfs/dbraw/zinc/89/43/10/567894310.db2.gz WERACPQQNHSCSZ-AWEZNQCLSA-N 0 0 287.384 3.699 50 0 CHAARN CC(=O)N(Cc1ccc(NCc2ccc(C)o2)cc1)C1CC1 ZINC000095429189 567894791 /nfs/dbraw/zinc/89/47/91/567894791.db2.gz VFNKSVCITQYKAQ-UHFFFAOYSA-N 0 0 298.386 3.711 50 0 CHAARN C[C@@H](c1cccs1)N(C)Cc1cn2ccccc2n1 ZINC000057977063 567894889 /nfs/dbraw/zinc/89/48/89/567894889.db2.gz ATZUJRVRKQEEAZ-LBPRGKRZSA-N 0 0 271.389 3.589 50 0 CHAARN O=C(Nc1cccc(NC(=O)C2CCCC2)c1)c1ccco1 ZINC000011177807 567895756 /nfs/dbraw/zinc/89/57/56/567895756.db2.gz HNSLIDWHQHKHBD-UHFFFAOYSA-N 0 0 298.342 3.661 50 0 CHAARN c1cc2ncnc(NCCCNc3ccccc3)c2s1 ZINC000058217469 567895930 /nfs/dbraw/zinc/89/59/30/567895930.db2.gz YSGWNMHFLWLVOX-UHFFFAOYSA-N 0 0 284.388 3.605 50 0 CHAARN Cc1cc(C)c(C)c(OC(=O)c2cccc3c[nH]nc32)c1 ZINC000058382432 567895945 /nfs/dbraw/zinc/89/59/45/567895945.db2.gz LUHRMNCHGGFFQY-UHFFFAOYSA-N 0 0 280.327 3.707 50 0 CHAARN O=C(c1cccs1)N(Cc1ccco1)Cc1cccnc1 ZINC000058604362 567895956 /nfs/dbraw/zinc/89/59/56/567895956.db2.gz BJLQUVAYFMBVSA-UHFFFAOYSA-N 0 0 298.367 3.579 50 0 CHAARN Cc1cc(F)ccc1NC(=O)N(Cc1ccncc1)C1CC1 ZINC000058344169 567895960 /nfs/dbraw/zinc/89/59/60/567895960.db2.gz AWXWHXQDRQKIFK-UHFFFAOYSA-N 0 0 299.349 3.726 50 0 CHAARN Cc1nc(-c2ccsc2)ccc1C(=O)N(C)CC1CC1 ZINC000058406348 567895966 /nfs/dbraw/zinc/89/59/66/567895966.db2.gz CKVPCIHVHHDIHA-UHFFFAOYSA-N 0 0 286.400 3.601 50 0 CHAARN Cc1noc(C)c1NC(=O)CCc1ccccc1Cl ZINC000058226194 567895971 /nfs/dbraw/zinc/89/59/71/567895971.db2.gz PHBHHJKAKSUSJL-UHFFFAOYSA-N 0 0 278.739 3.516 50 0 CHAARN O=C(/C=C/c1cccs1)N(Cc1ccco1)C1CC1 ZINC000058278794 567896036 /nfs/dbraw/zinc/89/60/36/567896036.db2.gz KNCBPZQNZPWKFH-BQYQJAHWSA-N 0 0 273.357 3.546 50 0 CHAARN Cc1ccc(CC(=O)N[C@]2(C)CCCc3ccccc32)cc1 ZINC000058330072 567896074 /nfs/dbraw/zinc/89/60/74/567896074.db2.gz WLDWWIZLLPNATP-HXUWFJFHSA-N 0 0 293.410 3.905 50 0 CHAARN CCc1nc(COc2cccc(Cl)c2Cl)no1 ZINC000059962089 567896589 /nfs/dbraw/zinc/89/65/89/567896589.db2.gz QHKDQBFJDJKYEE-UHFFFAOYSA-N 0 0 273.119 3.518 50 0 CHAARN Cc1ccc(CSc2nnc(OC(C)C)s2)cc1 ZINC000059933142 567896725 /nfs/dbraw/zinc/89/67/25/567896725.db2.gz YWWBHWZAASKEHK-UHFFFAOYSA-N 0 0 280.418 3.926 50 0 CHAARN O=C(CCc1ccncc1)N1CCCCC[C@@H]1c1ccco1 ZINC000096413204 567897228 /nfs/dbraw/zinc/89/72/28/567897228.db2.gz WUVHNVHRLRCOHH-MRXNPFEDSA-N 0 0 298.386 3.751 50 0 CHAARN COc1ccc2cc([C@H](C)S[C@H](C)C(N)=O)ccc2c1 ZINC000096435658 567897626 /nfs/dbraw/zinc/89/76/26/567897626.db2.gz KFSHXPIFCJRFQQ-WDEREUQCSA-N 0 0 289.400 3.516 50 0 CHAARN COc1ccc(-c2nc3ccccc3n2C)c(Cl)c1O ZINC000063868106 567897720 /nfs/dbraw/zinc/89/77/20/567897720.db2.gz KTVSLWQSDZRXNS-UHFFFAOYSA-N 0 0 288.734 3.608 50 0 CHAARN Clc1ccc(-n2ccnc2-c2cccnc2)cc1 ZINC000065373205 567898474 /nfs/dbraw/zinc/89/84/74/567898474.db2.gz XQIIOGJXRZHPEV-UHFFFAOYSA-N 0 0 255.708 3.588 50 0 CHAARN O=C(NC1CC1)c1ccc(-c2cccc3cccnc32)s1 ZINC000065386793 567898589 /nfs/dbraw/zinc/89/85/89/567898589.db2.gz UNBMVVXUTBUUSQ-UHFFFAOYSA-N 0 0 294.379 3.856 50 0 CHAARN CCCc1cnc(C)nc1-c1cccc2cnccc21 ZINC000065396173 567899328 /nfs/dbraw/zinc/89/93/28/567899328.db2.gz JEHDYYPBFSRIFC-UHFFFAOYSA-N 0 0 263.344 3.953 50 0 CHAARN Cc1cnn(Cc2nc(-c3sccc3C)oc2C)c1 ZINC000067674664 567900262 /nfs/dbraw/zinc/90/02/62/567900262.db2.gz SQVQIUNWBXJRSE-UHFFFAOYSA-N 0 0 273.361 3.573 50 0 CHAARN c1cc(-c2ccc(-c3ncnc4ccsc43)cc2)n[nH]1 ZINC000067850980 567900550 /nfs/dbraw/zinc/90/05/50/567900550.db2.gz KDJFAOOTWCNKPE-UHFFFAOYSA-N 0 0 278.340 3.748 50 0 CHAARN COc1ccc(-c2ccc3ccccc3n2)c(OC)c1OC ZINC000067741589 567900607 /nfs/dbraw/zinc/90/06/07/567900607.db2.gz LDUHNBCVQXBSNQ-UHFFFAOYSA-N 0 0 295.338 3.928 50 0 CHAARN Cc1ccc(F)c(Cn2cc([C@H]3CC=CCC3)nn2)c1F ZINC000067966306 567900933 /nfs/dbraw/zinc/90/09/33/567900933.db2.gz URHSDPJRCHAFFE-LBPRGKRZSA-N 0 0 289.329 3.737 50 0 CHAARN Cc1cc(C)n(Cc2nc(-c3ccccc3C)oc2C)n1 ZINC000067946428 567901063 /nfs/dbraw/zinc/90/10/63/567901063.db2.gz GUIYNQNVXSBXNA-UHFFFAOYSA-N 0 0 281.359 3.820 50 0 CHAARN O=[N+]([O-])c1ccc(C=NNc2ccccc2Cl)cc1 ZINC000004647046 567901125 /nfs/dbraw/zinc/90/11/25/567901125.db2.gz GHDQBPNQHKFIQG-UHFFFAOYSA-N 0 0 275.695 3.694 50 0 CHAARN C[C@H](Cc1cccs1)NC(=O)c1ccc(Cl)s1 ZINC000033204041 567901666 /nfs/dbraw/zinc/90/16/66/567901666.db2.gz STPVTJXJWRSXDR-MRVPVSSYSA-N 0 0 285.821 3.824 50 0 CHAARN C[C@H](Cc1cccs1)NC(=O)c1c(F)cccc1Cl ZINC000033206209 567901738 /nfs/dbraw/zinc/90/17/38/567901738.db2.gz QDDDMMYRMXPECG-SECBINFHSA-N 0 0 297.782 3.902 50 0 CHAARN N=C1Nc2ccc(Cl)cc2[C@@]1(O)c1ccccc1Cl ZINC000071772920 567902109 /nfs/dbraw/zinc/90/21/09/567902109.db2.gz OLOMPNZBVUCPAA-AWEZNQCLSA-N 0 0 293.153 3.632 50 0 CHAARN Cc1c2cc(C)ccc2[nH]c1[C@H](O)c1ccccc1 ZINC000072434059 567902687 /nfs/dbraw/zinc/90/26/87/567902687.db2.gz WYSJRBNZOUNUBJ-QGZVFWFLSA-N 0 0 251.329 3.866 50 0 CHAARN O=C(OCc1ccccn1)c1cc2c(cccc2F)s1 ZINC000023030247 567902911 /nfs/dbraw/zinc/90/29/11/567902911.db2.gz LACWHUZVIODXJQ-UHFFFAOYSA-N 0 0 287.315 3.792 50 0 CHAARN CCC(C)(C)OC(=O)c1sc([C@H](C)OC)nc1C ZINC000097049079 567903683 /nfs/dbraw/zinc/90/36/83/567903683.db2.gz XVPDTYFFKDWFFV-VIFPVBQESA-N 0 0 271.382 3.504 50 0 CHAARN Cc1cc(C)nc(N[C@H](C)c2ccc(F)cc2F)n1 ZINC000097091520 567903994 /nfs/dbraw/zinc/90/39/94/567903994.db2.gz XMEMTFWYSUQBPX-SNVBAGLBSA-N 0 0 263.291 3.545 50 0 CHAARN CC(C)CCc1nnc(NCc2cccc3cnccc32)o1 ZINC000097083512 567904164 /nfs/dbraw/zinc/90/41/64/567904164.db2.gz GCNXQFJWGCEMSO-UHFFFAOYSA-N 0 0 296.374 3.819 50 0 CHAARN CCCCN(C)c1ncnc2onc(-c3ccc(C)cc3)c21 ZINC000033269119 567904415 /nfs/dbraw/zinc/90/44/15/567904415.db2.gz HZOJGKWSWFAVDX-UHFFFAOYSA-N 0 0 296.374 3.830 50 0 CHAARN Cc1cccc(SCC(=O)Nc2ccc(F)cc2)c1 ZINC000000041848 567905321 /nfs/dbraw/zinc/90/53/21/567905321.db2.gz IZUDYTNZJHFADT-UHFFFAOYSA-N 0 0 275.348 3.865 50 0 CHAARN Cc1ccc(Cl)c2sc(NC[C@@H]3CCCO3)nc21 ZINC000056900922 567905458 /nfs/dbraw/zinc/90/54/58/567905458.db2.gz WADLHSXDNCFEIX-VIFPVBQESA-N 0 0 282.796 3.849 50 0 CHAARN Cc1ccc(Cl)c2sc(NC[C@H]3CCCO3)nc21 ZINC000056900923 567905504 /nfs/dbraw/zinc/90/55/04/567905504.db2.gz WADLHSXDNCFEIX-SECBINFHSA-N 0 0 282.796 3.849 50 0 CHAARN Cc1ccccc1C(=O)N1CCc2c([nH]c3ccccc32)C1 ZINC000000049236 567905833 /nfs/dbraw/zinc/90/58/33/567905833.db2.gz NVTCEUJHWFLJBS-UHFFFAOYSA-N 0 0 290.366 3.675 50 0 biogenic CHAARN CC(C)Cc1ccc(C2=CSC3=NCCN23)cc1 ZINC000000064018 567906597 /nfs/dbraw/zinc/90/65/97/567906597.db2.gz RNGTZDASLJDYAT-UHFFFAOYSA-N 0 0 258.390 3.602 50 0 CHAARN CC[C@@H](C)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000000064832 567906651 /nfs/dbraw/zinc/90/66/51/567906651.db2.gz HBYNPZLVZUFNDQ-CQSZACIVSA-N 0 0 267.372 3.733 50 0 CHAARN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccncc1 ZINC000000068982 567906863 /nfs/dbraw/zinc/90/68/63/567906863.db2.gz LHDCFGCIWDEZFT-UHFFFAOYSA-N 0 0 295.367 3.766 50 0 CHAARN O=C1O[C@@H](Nc2cccc(Cl)c2)c2ccccc21 ZINC000000091672 567908717 /nfs/dbraw/zinc/90/87/17/567908717.db2.gz MEBHCKMOSYYRNR-CYBMUJFWSA-N 0 0 259.692 3.621 50 0 CHAARN COc1ccc(-n2c(C)c(C(C)=O)c3cc(O)ccc32)cc1 ZINC000000090238 567908745 /nfs/dbraw/zinc/90/87/45/567908745.db2.gz ZBYOXWZXVBQBBZ-UHFFFAOYSA-N 0 0 295.338 3.856 50 0 aggregator,in-vitro CHAARN O=C(NCc1ccccc1)c1scc2c1CCCC2 ZINC000000090991 567908816 /nfs/dbraw/zinc/90/88/16/567908816.db2.gz XZFOAFDEJMJURL-UHFFFAOYSA-N 0 0 271.385 3.557 50 0 CHAARN CSc1ccc(CN(C)C(=O)Cc2ccc(C)cc2)cc1 ZINC000072728984 567908855 /nfs/dbraw/zinc/90/88/55/567908855.db2.gz RZQPKBQZHMNVIP-UHFFFAOYSA-N 0 0 299.439 3.918 50 0 CHAARN CCCc1nnc(N(C)Cc2cccc(C(F)(F)F)c2)o1 ZINC000095360873 567909291 /nfs/dbraw/zinc/90/92/91/567909291.db2.gz QNULUFRBVFFUCL-UHFFFAOYSA-N 0 0 299.296 3.677 50 0 CHAARN CC[C@H](Nc1nc(C)nc2onc(C)c21)c1cccs1 ZINC000095354469 567909471 /nfs/dbraw/zinc/90/94/71/567909471.db2.gz YWKSACHLFNGKGR-JTQLQIEISA-N 0 0 288.376 3.859 50 0 CHAARN Cc1nn(-c2ccccc2)c(C)c1Cc1nc(C(C)C)no1 ZINC000095391471 567909538 /nfs/dbraw/zinc/90/95/38/567909538.db2.gz BCBXOTOWGSHBTJ-UHFFFAOYSA-N 0 0 296.374 3.586 50 0 CHAARN CCOc1ccc(Cl)cc1-c1cnn(CC)c1C ZINC000096153668 567909757 /nfs/dbraw/zinc/90/97/57/567909757.db2.gz RTBFFGAOPMVVKT-UHFFFAOYSA-N 0 0 264.756 3.931 50 0 CHAARN c1ccc(-c2ccc(-c3nc([C@H]4CCOC4)no3)cc2)cc1 ZINC000096136681 567909856 /nfs/dbraw/zinc/90/98/56/567909856.db2.gz YECJNSSLDYHDHK-INIZCTEOSA-N 0 0 292.338 3.908 50 0 CHAARN CC(C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000011638375 567910552 /nfs/dbraw/zinc/91/05/52/567910552.db2.gz GMXRDYPVJKWVLW-UHFFFAOYSA-N 0 0 265.662 3.953 50 0 CHAARN CC1(C)C[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1F ZINC000097604131 567911034 /nfs/dbraw/zinc/91/10/34/567911034.db2.gz LHFJMWAZEBNWPS-SNVBAGLBSA-N 0 0 289.272 3.507 50 0 CHAARN COC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1Cl ZINC000097757001 567911110 /nfs/dbraw/zinc/91/11/10/567911110.db2.gz LVPAGSPOWMZWDT-UHFFFAOYSA-N 0 0 288.730 3.996 50 0 CHAARN c1ccc([C@H]2CCCCN2Cc2nc3ccccc3[nH]2)nc1 ZINC000097784989 567911226 /nfs/dbraw/zinc/91/12/26/567911226.db2.gz XQCFMBFNOLEGSV-QGZVFWFLSA-N 0 0 292.386 3.685 50 0 CHAARN COC(=O)c1ccc(-c2ccc(C)c(F)c2)c(F)c1 ZINC000097757324 567911260 /nfs/dbraw/zinc/91/12/60/567911260.db2.gz AHFIJSFFYDZCBO-UHFFFAOYSA-N 0 0 262.255 3.727 50 0 CHAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)C(=O)[C@@H]2C1 ZINC000100394371 567913067 /nfs/dbraw/zinc/91/30/67/567913067.db2.gz BEAVIIGYZJAHFG-UHOFOFEASA-N 0 0 299.414 3.910 50 0 CHAARN CCCn1c2ccccc2c(O)c(-c2ccccc2)c1=O ZINC000100498535 567913342 /nfs/dbraw/zinc/91/33/42/567913342.db2.gz VJRTWEUTEIJBQW-UHFFFAOYSA-N 0 0 279.339 3.784 50 0 CHAARN Cc1ccc(N2C(=O)[C@@H]3CC(C)=C(C)C[C@H]3C2=O)c(C)c1 ZINC000100526869 567913456 /nfs/dbraw/zinc/91/34/56/567913456.db2.gz CGWXKEJBRUOWRX-HUUCEWRRSA-N 0 0 283.371 3.539 50 0 CHAARN Fc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccco1)N2 ZINC000100837059 567913902 /nfs/dbraw/zinc/91/39/02/567913902.db2.gz BGXDUIOHIMCBER-VCTAVGKDSA-N 0 0 259.280 3.663 50 0 CHAARN Cc1ccc(C)c(C[C@H]2c3cccc(C)c3NC2=O)c1 ZINC000101016225 567914452 /nfs/dbraw/zinc/91/44/52/567914452.db2.gz CLXFNYNUSMBYJO-INIZCTEOSA-N 0 0 265.356 3.890 50 0 CHAARN CCOc1ccccc1C[C@H]1c2cccc(C)c2NC1=O ZINC000101016080 567914460 /nfs/dbraw/zinc/91/44/60/567914460.db2.gz QDWJWZPADTUXRY-HNNXBMFYSA-N 0 0 281.355 3.672 50 0 CHAARN CCc1ccc(C[C@@H]2c3ccccc3NC2=O)cc1 ZINC000101016620 567914462 /nfs/dbraw/zinc/91/44/62/567914462.db2.gz VSVCMPQYIGZGJT-OAHLLOKOSA-N 0 0 251.329 3.527 50 0 CHAARN CC(C)Oc1ccc(C[C@H]2c3ccccc3NC2=O)cc1 ZINC000101016063 567914564 /nfs/dbraw/zinc/91/45/64/567914564.db2.gz HXWWYKNXRFHIFT-INIZCTEOSA-N 0 0 281.355 3.752 50 0 CHAARN Cc1ccccc1C[C@@H]1C(=O)Nc2ccc(Cl)cc21 ZINC000101014552 567914574 /nfs/dbraw/zinc/91/45/74/567914574.db2.gz ZTLWKVCPKMKHGH-AWEZNQCLSA-N 0 0 271.747 3.927 50 0 CHAARN CN1c2ccccc2[C@H](Cc2ccccc2Cl)C1=O ZINC000101016185 567914579 /nfs/dbraw/zinc/91/45/79/567914579.db2.gz PHAJKAYPQXZFJL-ZDUSSCGKSA-N 0 0 271.747 3.643 50 0 CHAARN CCCN(C(=O)c1cccc(-c2cn[nH]c2)c1)C1CCCC1 ZINC000102547239 567915210 /nfs/dbraw/zinc/91/52/10/567915210.db2.gz CUPUCGZNEXZVQK-UHFFFAOYSA-N 0 0 297.402 3.872 50 0 CHAARN C[C@@H]1CCC[C@H](NC(=O)COc2ccc(Cl)cc2)[C@H]1C ZINC000102594028 567915446 /nfs/dbraw/zinc/91/54/46/567915446.db2.gz ZHGZWBNIFFCUSW-XUJVJEKNSA-N 0 0 295.810 3.660 50 0 CHAARN COC(=O)N[C@H](c1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000003097137 567915559 /nfs/dbraw/zinc/91/55/59/567915559.db2.gz SXKADSSGALMVQP-SECBINFHSA-N 0 0 296.581 3.762 50 0 CHAARN CCOc1ccccc1-c1oc2ccc(C)cc2c(=O)c1O ZINC000000115279 567923178 /nfs/dbraw/zinc/92/31/78/567923178.db2.gz VSQOEVNRZNQZDM-UHFFFAOYSA-N 0 0 296.322 3.873 50 0 CHAARN Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1CO2 ZINC000000115036 567923207 /nfs/dbraw/zinc/92/32/07/567923207.db2.gz HMWZUHVZXCPJSD-OAHLLOKOSA-N 0 0 284.746 3.841 50 0 CHAARN O=C(OCc1cnc(-c2ccccc2)s1)c1ccoc1 ZINC000073016893 567923278 /nfs/dbraw/zinc/92/32/78/567923278.db2.gz MFVLDPSKLQIKLU-UHFFFAOYSA-N 0 0 285.324 3.760 50 0 CHAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccccn1 ZINC000000115369 567923319 /nfs/dbraw/zinc/92/33/19/567923319.db2.gz FXAAEUZVKQCHFC-UHFFFAOYSA-N 0 0 299.330 3.597 50 0 CHAARN O=C(Nc1nnc(C2CCCCC2)s1)C1CCCC1 ZINC000014679060 567924019 /nfs/dbraw/zinc/92/40/19/567924019.db2.gz KFYGEQLMXOXQOG-UHFFFAOYSA-N 0 0 279.409 3.715 50 0 CHAARN O=C1CS[C@@H](c2cccc(F)c2)N1c1ccccc1 ZINC000000180320 567924276 /nfs/dbraw/zinc/92/42/76/567924276.db2.gz ADVJUIDVQIDDNK-HNNXBMFYSA-N 0 0 273.332 3.604 50 0 CHAARN Cn1cc(-c2ccc3ccccc3n2)c(=O)c2ccccc21 ZINC000000173015 567924285 /nfs/dbraw/zinc/92/42/85/567924285.db2.gz XFINKHUKSVVFEM-UHFFFAOYSA-N 0 0 286.334 3.754 50 0 biogenic CHAARN Cc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)o1 ZINC000000176483 567924288 /nfs/dbraw/zinc/92/42/88/567924288.db2.gz VIBGDOQGWDQJHG-JYRVWZFOSA-N 0 0 287.702 3.586 50 0 CHAARN CC(C)c1ccc([C@@H](O)Cc2nc3ccccc3n2C)cc1 ZINC000000170115 567924478 /nfs/dbraw/zinc/92/44/78/567924478.db2.gz GLYNSEYXIIEMFQ-SFHVURJKSA-N 0 0 294.398 3.973 50 0 CHAARN Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c(C)c1 ZINC000000189191 567924798 /nfs/dbraw/zinc/92/47/98/567924798.db2.gz HPWMMWVOMCSLFB-UHFFFAOYSA-N 0 0 293.322 3.662 50 0 CHAARN CC(C)(C)COC(=O)NC(C)(C(F)(F)F)C(F)(F)F ZINC000003188996 567925095 /nfs/dbraw/zinc/92/50/95/567925095.db2.gz AXDBIHPONUZACS-UHFFFAOYSA-N 0 0 295.223 3.642 50 0 CHAARN CCOc1ccc(N2C(=O)CSC23CCCCC3)cc1 ZINC000000193688 567925154 /nfs/dbraw/zinc/92/51/54/567925154.db2.gz NMBLUEULJYTAMJ-UHFFFAOYSA-N 0 0 291.416 3.826 50 0 CHAARN CCc1ccc(NCc2nc(-c3ccccc3)no2)cc1 ZINC000000203376 567925165 /nfs/dbraw/zinc/92/51/65/567925165.db2.gz IQYRLKVBFFUTMK-UHFFFAOYSA-N 0 0 279.343 3.911 50 0 CHAARN O=C(Nc1ccc(F)cc1)c1ccccc1Br ZINC000000241587 567925393 /nfs/dbraw/zinc/92/53/93/567925393.db2.gz GARLNRUQNQMJAB-UHFFFAOYSA-N 0 0 294.123 3.841 50 0 CHAARN CCCN(CC1CC1)C(=O)c1coc2ccccc12 ZINC000113021072 567925409 /nfs/dbraw/zinc/92/54/09/567925409.db2.gz CRJUAHLITQTDRD-UHFFFAOYSA-N 0 0 257.333 3.695 50 0 CHAARN CCOc1ccc(/C=C/C(=O)Oc2ccc(F)cc2)cc1 ZINC000000262058 567925705 /nfs/dbraw/zinc/92/57/05/567925705.db2.gz TZVOLORSWSTJEY-LFYBBSHMSA-N 0 0 286.302 3.843 50 0 biogenic CHAARN C[C@@H](O)c1ccc(Oc2ccc([C@@H](C)O)cc2)cc1 ZINC000000262378 567925726 /nfs/dbraw/zinc/92/57/26/567925726.db2.gz NKDKJEOJMQSDNA-VXGBXAGGSA-N 0 0 258.317 3.586 50 0 CHAARN Cc1nc(SCc2ccccc2Oc2cccnc2)n[nH]1 ZINC000050247771 567925886 /nfs/dbraw/zinc/92/58/86/567925886.db2.gz JFUPHKVZHVCMPA-UHFFFAOYSA-N 0 0 298.371 3.593 50 0 CHAARN CC(C)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000000257182 567925913 /nfs/dbraw/zinc/92/59/13/567925913.db2.gz KJQPMZOPGKQACV-UHFFFAOYSA-N 0 0 271.360 3.855 50 0 CHAARN CCCCOc1cc(F)c(Br)cc1F ZINC000114759648 567926782 /nfs/dbraw/zinc/92/67/82/567926782.db2.gz YWYIEDHGKFYEOK-UHFFFAOYSA-N 0 0 265.097 3.906 50 0 CHAARN Cc1cc(C(=O)N2CC[C@@H](C)Nc3ccccc32)c(C)o1 ZINC000078875540 567926995 /nfs/dbraw/zinc/92/69/95/567926995.db2.gz IXTMSHDMWQFIQH-LLVKDONJSA-N 0 0 284.359 3.747 50 0 CHAARN Cc1ccc(/C=C\C(=O)N(C)c2ccccc2)cc1 ZINC000033563872 567927656 /nfs/dbraw/zinc/92/76/56/567927656.db2.gz PHEWIXXLXTZFSS-SEYXRHQNSA-N 0 0 251.329 3.671 50 0 CHAARN Cc1ccccc1[C@H]([NH2+][C@H](C)[C@H](C)c1ccccc1)C(=O)[O-] ZINC000408521855 567927719 /nfs/dbraw/zinc/92/77/19/567927719.db2.gz VBIQCCDTRMEGBS-DAYGRLMNSA-N 0 0 297.398 3.903 50 0 CHAARN Cc1nc(-c2ccccc2)sc1-c1csc(N)n1 ZINC000000387605 567927851 /nfs/dbraw/zinc/92/78/51/567927851.db2.gz JTNPNOPJSDUDPG-UHFFFAOYSA-N 0 0 273.386 3.824 50 0 CHAARN CSc1nc(C)cc(Nc2ccc(C)c(C)c2)n1 ZINC000011907754 567928920 /nfs/dbraw/zinc/92/89/20/567928920.db2.gz CXTDEXYDFUHLQM-UHFFFAOYSA-N 0 0 259.378 3.867 50 0 CHAARN Cc1ccc([C@H]2OC(=O)c3ccccc32)cc1Cl ZINC000000170530 567929496 /nfs/dbraw/zinc/92/94/96/567929496.db2.gz ILJLAZKIXPTNLI-CQSZACIVSA-N 0 0 258.704 3.908 50 0 biogenic CHAARN CCOc1ccc(N=c2sc3ccccc3n2C)cc1 ZINC000252667079 567930251 /nfs/dbraw/zinc/93/02/51/567930251.db2.gz CPIXUTNEDABCNR-UHFFFAOYSA-N 0 0 284.384 3.871 50 0 CHAARN CCc1noc(C)c1NC(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000120235603 567930257 /nfs/dbraw/zinc/93/02/57/567930257.db2.gz UTKBNAYLYQRKPG-ZBEGNZNMSA-N 0 0 299.374 3.770 50 0 CHAARN CCC(=O)Nc1cccc(-c2cn3cccc(C)c3n2)c1 ZINC000000203134 567930320 /nfs/dbraw/zinc/93/03/20/567930320.db2.gz FSYMRXSQDDJBTA-UHFFFAOYSA-N 0 0 279.343 3.658 50 0 CHAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(F)c2)cc1 ZINC000000423847 567930525 /nfs/dbraw/zinc/93/05/25/567930525.db2.gz MHEFRVMJCLESNK-INIZCTEOSA-N 0 0 287.359 3.913 50 0 CHAARN COc1cc(C(=O)Nc2cccc(C)c2C)cc(OC)c1C ZINC000003482002 567932392 /nfs/dbraw/zinc/93/23/92/567932392.db2.gz KBCMVZWUAPLQDI-UHFFFAOYSA-N 0 0 299.370 3.881 50 0 CHAARN C[C@H](NC(=O)CCC(=O)c1cccs1)c1ccccc1 ZINC000003598095 567932458 /nfs/dbraw/zinc/93/24/58/567932458.db2.gz XAZABFAYRUEUHH-LBPRGKRZSA-N 0 0 287.384 3.588 50 0 CHAARN COc1ccc(-c2c(C)oc3cc(OC)ccc3c2=O)cc1 ZINC000000189910 567932958 /nfs/dbraw/zinc/93/29/58/567932958.db2.gz QHMHKLMWWCUVOU-UHFFFAOYSA-N 0 0 296.322 3.786 50 0 biogenic CHAARN CC[C@@H](Oc1ccccc1)C(=O)NC1CCCCCC1 ZINC000000476745 567935006 /nfs/dbraw/zinc/93/50/06/567935006.db2.gz SWCAEKBTOUEWHI-MRXNPFEDSA-N 0 0 275.392 3.683 50 0 CHAARN O=C(Cc1cccc(C(F)(F)F)c1)NC1CCCCC1 ZINC000000263663 567935629 /nfs/dbraw/zinc/93/56/29/567935629.db2.gz BIJUSNSMOGOUTM-UHFFFAOYSA-N 0 0 285.309 3.697 50 0 CHAARN CCOC(=O)N=c1[nH]c2c(cccc2Cl)s1 ZINC000000040008 567935682 /nfs/dbraw/zinc/93/56/82/567935682.db2.gz JAJMABPYFWTQMW-UHFFFAOYSA-N 0 0 256.714 3.518 50 0 CHAARN CC(C)CCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000362724 567935869 /nfs/dbraw/zinc/93/58/69/567935869.db2.gz HAXQOCZYGVENEQ-UHFFFAOYSA-N 0 0 260.164 3.769 50 0 CHAARN Cc1cccc(C)c1OCC(=O)Nc1ccccc1Cl ZINC000000361909 567936044 /nfs/dbraw/zinc/93/60/44/567936044.db2.gz BIYUUEUXSUUGHS-UHFFFAOYSA-N 0 0 289.762 3.974 50 0 CHAARN CCN(Cc1ccccc1)C(=O)c1ccc(C)c(C)c1 ZINC000000288372 567936061 /nfs/dbraw/zinc/93/60/61/567936061.db2.gz PDGIGRVPHXVPTI-UHFFFAOYSA-N 0 0 267.372 3.966 50 0 CHAARN CCOC(=O)c1ccc(NC(=O)c2cc(C)ccc2C)cc1 ZINC000000514766 567936254 /nfs/dbraw/zinc/93/62/54/567936254.db2.gz YXAHQPVEIMROBM-UHFFFAOYSA-N 0 0 297.354 3.732 50 0 CHAARN CSc1ccc(NCc2ccc(NC(C)=O)cc2)cc1 ZINC000000410111 567936341 /nfs/dbraw/zinc/93/63/41/567936341.db2.gz SEWKZRPFSFHDRC-UHFFFAOYSA-N 0 0 286.400 3.979 50 0 CHAARN O=C(c1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000001053628 567936996 /nfs/dbraw/zinc/93/69/96/567936996.db2.gz BBGOQYLGHWDYOU-UHFFFAOYSA-N 0 0 271.282 3.722 50 0 CHAARN Cc1ccccc1OCCCC(=O)Nc1ccccc1 ZINC000001772471 567937433 /nfs/dbraw/zinc/93/74/33/567937433.db2.gz WPUVJVSYEMMVHU-UHFFFAOYSA-N 0 0 269.344 3.793 50 0 CHAARN CN(Cc1ccccc1)c1ccc(Cl)cc1C=O ZINC000161192925 567937567 /nfs/dbraw/zinc/93/75/67/567937567.db2.gz UXLOCGUNXJIMAB-UHFFFAOYSA-N 0 0 259.736 3.789 50 0 CHAARN O=C(Cc1ccc2ccccc2c1)NCCc1cccs1 ZINC000017909475 567937639 /nfs/dbraw/zinc/93/76/39/567937639.db2.gz YCIMIYRMEOOONJ-UHFFFAOYSA-N 0 0 295.407 3.803 50 0 CHAARN O=c1cc(-c2ccccc2)nc(SCc2cccnc2)[nH]1 ZINC000017967178 567937865 /nfs/dbraw/zinc/93/78/65/567937865.db2.gz IIUHYPSHQCDOLL-UHFFFAOYSA-N 0 0 295.367 3.537 50 0 CHAARN COc1cc2c(cc1NC(=O)C1CC1)oc1ccccc12 ZINC000003135805 567937961 /nfs/dbraw/zinc/93/79/61/567937961.db2.gz TWMLGRZAPBVBQS-UHFFFAOYSA-N 0 0 281.311 3.943 50 0 CHAARN c1c(C23CC4CC(CC(C4)C2)C3)nc2ccccn12 ZINC000004137175 567938135 /nfs/dbraw/zinc/93/81/35/567938135.db2.gz UPHAIQRWKAVTEH-UHFFFAOYSA-N 0 0 252.361 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295.467 3.866 50 0 CHAARN COc1ccc(O[C@H](C)c2nc(-c3ccccc3)no2)cc1 ZINC000000514484 169659829 /nfs/dbraw/zinc/65/98/29/169659829.db2.gz DAIPTNBTEJEIJJ-GFCCVEGCSA-N 0 0 296.326 3.885 50 0 CHAARN Cc1cccc(CSc2nnc(-c3ccco3)n2C)c1 ZINC000000532504 169663438 /nfs/dbraw/zinc/66/34/38/169663438.db2.gz MDJZCJHYYXYMIX-UHFFFAOYSA-N 0 0 285.372 3.676 50 0 CHAARN CCOC(=O)c1sc(Nc2cccc(C)c2C)nc1C ZINC000000529012 169662686 /nfs/dbraw/zinc/66/26/86/169662686.db2.gz UCRJCBNECWQCPB-UHFFFAOYSA-N 0 0 290.388 3.989 50 0 CHAARN CCCC[C@H](CC)C(=O)Nc1ccc(N(C)C(C)=O)cc1 ZINC000002843936 260010211 /nfs/dbraw/zinc/01/02/11/260010211.db2.gz FUBWPRHNYIOLRZ-AWEZNQCLSA-N 0 0 290.407 3.824 50 0 CHAARN CCS[C@H]1CC[C@@H](N(C)C(=O)c2sccc2OC)C1 ZINC000096432365 256787793 /nfs/dbraw/zinc/78/77/93/256787793.db2.gz YXXBLVTYILEIJL-MNOVXSKESA-N 0 0 299.461 3.503 50 0 CHAARN c1csc(SCc2nc(-c3ccoc3)no2)c1 ZINC000096409122 256769013 /nfs/dbraw/zinc/76/90/13/256769013.db2.gz HXVHATCHLFNHFS-UHFFFAOYSA-N 0 0 264.331 3.683 50 0 CHAARN CCc1ccc(-c2nccn2Cc2c(C)nn(CC)c2C)o1 ZINC000071753130 256878598 /nfs/dbraw/zinc/87/85/98/256878598.db2.gz YZEPTDKIIBZCCQ-UHFFFAOYSA-N 0 0 298.390 3.587 50 0 CHAARN Cc1ccc(C(F)(F)F)cc1-c1nc([C@@H]2CCOC2)no1 ZINC000096166546 256886382 /nfs/dbraw/zinc/88/63/82/256886382.db2.gz SYNSLETYNHDBKE-SECBINFHSA-N 0 0 298.264 3.568 50 0 CHAARN O=C(c1cc(Cl)cc(Cl)c1)N1CCCCC1 ZINC000000848774 169680908 /nfs/dbraw/zinc/68/09/08/169680908.db2.gz VFEQRWZEMGXQOY-UHFFFAOYSA-N 0 0 258.148 3.620 50 0 CHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(C)C ZINC000000774898 169678236 /nfs/dbraw/zinc/67/82/36/169678236.db2.gz MPMCEOGASOEVHZ-UHFFFAOYSA-N 0 0 292.766 3.689 50 0 CHAARN CCCc1nnc(NC(=O)C[C@H](C)c2ccccc2)s1 ZINC000000815601 169680535 /nfs/dbraw/zinc/68/05/35/169680535.db2.gz DBWDAXKDUKQWIF-NSHDSACASA-N 0 0 289.404 3.623 50 0 CHAARN O=C(OCc1cccc(F)c1)c1cc(Cl)ccc1O ZINC000001063270 169688723 /nfs/dbraw/zinc/68/87/23/169688723.db2.gz SOKKJBHFZROVEJ-UHFFFAOYSA-N 0 0 280.682 3.542 50 0 CHAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccnc1 ZINC000000979247 169684120 /nfs/dbraw/zinc/68/41/20/169684120.db2.gz QCRUPTDSPJRGCB-JTQLQIEISA-N 0 0 292.791 3.854 50 0 CHAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccnc1 ZINC000000979248 169684177 /nfs/dbraw/zinc/68/41/77/169684177.db2.gz QCRUPTDSPJRGCB-SNVBAGLBSA-N 0 0 292.791 3.854 50 0 CHAARN Fc1cc(F)c(OC(F)(F)Cl)c(Br)c1 ZINC000095215762 184947542 /nfs/dbraw/zinc/94/75/42/184947542.db2.gz GYINNXCAZSTDRV-UHFFFAOYSA-N 0 0 293.441 3.895 50 0 CHAARN Fc1ccc(OC(Cl)(Cl)Cl)c(F)c1F ZINC000095215550 184947580 /nfs/dbraw/zinc/94/75/80/184947580.db2.gz UFSOCTXMSVHPAF-UHFFFAOYSA-N 0 0 265.445 3.810 50 0 CHAARN C/C(=C/C(=O)Nc1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000001388176 169698600 /nfs/dbraw/zinc/69/86/00/169698600.db2.gz WYOUAPQUYHEVQL-LUAWRHEFSA-N 0 0 298.308 3.644 50 0 CHAARN CC(=O)Nc1ccc(Oc2ccc3c(C)nccc3n2)cc1 ZINC000001389493 169698969 /nfs/dbraw/zinc/69/89/69/169698969.db2.gz XQSNEGXOBSAGHV-UHFFFAOYSA-N 0 0 293.326 3.689 50 0 CHAARN C1CC1c1nsc(N[C@H]2CCOC3(CCCCC3)C2)n1 ZINC000095425708 184978772 /nfs/dbraw/zinc/97/87/72/184978772.db2.gz VSSIQYIJAXEEKF-LBPRGKRZSA-N 0 0 293.436 3.709 50 0 CHAARN Cc1ccc(CNc2cc(F)ccc2-n2cccn2)o1 ZINC000095445310 184987650 /nfs/dbraw/zinc/98/76/50/184987650.db2.gz PITNWBIEQJERCJ-UHFFFAOYSA-N 0 0 271.295 3.525 50 0 CHAARN CC[C@@H]1CC[C@H](C)N1c1cc(C)nc(-c2ccccn2)n1 ZINC000095458737 184991778 /nfs/dbraw/zinc/99/17/78/184991778.db2.gz UDUOVCPNBQBLPJ-UONOGXRCSA-N 0 0 282.391 3.614 50 0 CHAARN COc1ccc(-n2cc3ccsc3c2)c(OC)c1 ZINC000001400005 169701952 /nfs/dbraw/zinc/70/19/52/169701952.db2.gz JYDNRERZHTXTIU-UHFFFAOYSA-N 0 0 259.330 3.709 50 0 CHAARN Cc1ccc(COc2ccc(-c3nnco3)cc2)cc1 ZINC000001406064 169703367 /nfs/dbraw/zinc/70/33/67/169703367.db2.gz TYQWIGAIJAUOMY-UHFFFAOYSA-N 0 0 266.300 3.624 50 0 CHAARN c1nn(-c2ccccc2)cc1-c1nc2ccccc2o1 ZINC000001398346 169701681 /nfs/dbraw/zinc/70/16/81/169701681.db2.gz RKVUMPNIGODVPF-UHFFFAOYSA-N 0 0 261.284 3.681 50 0 CHAARN CCOP(=O)(OCC)[C@H](O)c1ccc(Cl)cc1 ZINC000001597183 169721989 /nfs/dbraw/zinc/72/19/89/169721989.db2.gz RIQJHXWKWXDLFM-NSHDSACASA-N 0 0 278.672 3.597 50 0 CHAARN Cc1cc(CNC(=O)C2CCCCC2)c2ccccc2n1 ZINC000001423673 533646408 /nfs/dbraw/zinc/64/64/08/533646408.db2.gz LWFAGCJNHZMUBU-UHFFFAOYSA-N 0 0 282.387 3.740 50 0 CHAARN CCNC(=O)N1c2cc(C)ccc2C(C)=CC1(C)C ZINC000000169833 134521832 /nfs/dbraw/zinc/52/18/32/134521832.db2.gz SCWAILPERVWDOP-UHFFFAOYSA-N 0 0 258.365 3.726 50 0 CHAARN C[C@H]1CCCCN1c1ncnc2sc3c(c21)CCCC3 ZINC000002886878 134641858 /nfs/dbraw/zinc/64/18/58/134641858.db2.gz CCQMLCVCMDJDAZ-NSHDSACASA-N 0 0 287.432 3.949 50 0 CHAARN Fc1ccc(-c2cc3c(N4CCCCC4)nccn3n2)cc1 ZINC000067284946 134939473 /nfs/dbraw/zinc/93/94/73/134939473.db2.gz WSQPZYUPRFUQAQ-UHFFFAOYSA-N 0 0 296.349 3.526 50 0 CHAARN CC1(C)CN(C(=O)c2ccncc2)c2ccccc2S1 ZINC000088240564 135053672 /nfs/dbraw/zinc/05/36/72/135053672.db2.gz VJPDIQIQANQEJI-UHFFFAOYSA-N 0 0 284.384 3.613 50 0 CHAARN CCc1ccc(OCCCC(=O)NCc2ccccc2)cc1 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293.269 3.549 50 0 CHAARN Cc1ccc(CC(=O)Nc2ccccc2C)cc1C ZINC000003481378 169891441 /nfs/dbraw/zinc/89/14/41/169891441.db2.gz SIOOWGLTDGGIJX-UHFFFAOYSA-N 0 0 253.345 3.793 50 0 CHAARN O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(F)cc1 ZINC000003551603 169896249 /nfs/dbraw/zinc/89/62/49/169896249.db2.gz OBXQYTMJIQBFTQ-BJMVGYQFSA-N 0 0 289.737 3.809 50 0 CHAARN Brc1ccccc1-c1cn2ccccc2n1 ZINC000003877656 169919125 /nfs/dbraw/zinc/91/91/25/169919125.db2.gz GKQOGAMWHPUXJM-UHFFFAOYSA-N 0 0 273.133 3.764 50 0 CHAARN O=C1OCC(c2ccc(Cl)cc2)=C1c1cccs1 ZINC000003887042 169920361 /nfs/dbraw/zinc/92/03/61/169920361.db2.gz DLJSREJYSFGHMC-UHFFFAOYSA-N 0 0 276.744 3.869 50 0 CHAARN CCCCC(=O)Nc1c2c(nn1C(C)(C)C)CSC2 ZINC000003892398 169920939 /nfs/dbraw/zinc/92/09/39/169920939.db2.gz ZNDVVRGOMIIMTI-UHFFFAOYSA-N 0 0 281.425 3.514 50 0 CHAARN CCCCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000004138165 169936939 /nfs/dbraw/zinc/93/69/39/169936939.db2.gz VXAAQOLFPZTIOX-UHFFFAOYSA-N 0 0 284.403 3.853 50 0 CHAARN 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/nfs/dbraw/zinc/62/52/10/172625210.db2.gz YYZBEYZTFHWWSG-UHFFFAOYSA-N 0 0 283.331 3.607 50 0 CHAARN CCc1cc(C(=O)Nc2ccc(C)cc2)c2c(C)noc2n1 ZINC000036621593 172642581 /nfs/dbraw/zinc/64/25/81/172642581.db2.gz UWEROQSPFWWMAK-UHFFFAOYSA-N 0 0 295.342 3.654 50 0 CHAARN O=C(OCc1ccccn1)c1cc2cc(Cl)ccc2o1 ZINC000036725788 172661180 /nfs/dbraw/zinc/66/11/80/172661180.db2.gz ARBNFVNUMAQCJZ-UHFFFAOYSA-N 0 0 287.702 3.838 50 0 CHAARN Cc1ccc(CN(C)C(=O)[C@H]2Cc3ccccc3S2)cc1 ZINC000037133377 172975232 /nfs/dbraw/zinc/97/52/32/172975232.db2.gz PVHRVUAIKPRKJQ-QGZVFWFLSA-N 0 0 297.423 3.670 50 0 CHAARN COc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000037358401 173148311 /nfs/dbraw/zinc/14/83/11/173148311.db2.gz IDGRRJWQDJEWGN-UHFFFAOYSA-N 0 0 280.245 3.945 50 0 CHAARN COC(=O)c1cc(Cl)c2cccc(C(F)(F)F)c2n1 ZINC000038537287 174144670 /nfs/dbraw/zinc/14/46/70/174144670.db2.gz PDSWVGRWFMQPLK-UHFFFAOYSA-N 0 0 289.640 3.694 50 0 CHAARN CN(c1ccc(Br)cn1)C1CCCCC1 ZINC000038538311 174145503 /nfs/dbraw/zinc/14/55/03/174145503.db2.gz KUXLHBACHKOIHP-UHFFFAOYSA-N 0 0 269.186 3.613 50 0 CHAARN Brc1cnc(Nc2ccccc2)s1 ZINC000039212468 174166277 /nfs/dbraw/zinc/16/62/77/174166277.db2.gz GZYZRVABKWWEMZ-UHFFFAOYSA-N 0 0 255.140 3.649 50 0 CHAARN CSc1ccc(CN(C)C(=O)c2ccoc2C)cc1 ZINC000039978493 174180897 /nfs/dbraw/zinc/18/08/97/174180897.db2.gz GSSXBBUTYKGXIB-UHFFFAOYSA-N 0 0 275.373 3.582 50 0 CHAARN CC(C)(C)C(=O)NCCSc1ccc(Cl)cc1 ZINC000039978523 174181247 /nfs/dbraw/zinc/18/12/47/174181247.db2.gz HFZUUIMBUOCDTR-UHFFFAOYSA-N 0 0 271.813 3.594 50 0 CHAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCCc2ccccc2)o1 ZINC000040012156 174182339 /nfs/dbraw/zinc/18/23/39/174182339.db2.gz DVMOMKCRNOGCBR-PBHICJAKSA-N 0 0 297.398 3.695 50 0 CHAARN Cc1cc(C(=O)N[C@@H]2CCc3ccccc32)c(C)n1C1CC1 ZINC000040015960 174183069 /nfs/dbraw/zinc/18/30/69/174183069.db2.gz HMDTYKHNRWTQQN-GOSISDBHSA-N 0 0 294.398 3.857 50 0 CHAARN O=C(c1c(F)cccc1Cl)N1CCc2sccc2C1 ZINC000040047022 174184450 /nfs/dbraw/zinc/18/44/50/174184450.db2.gz SEZRBECAZUPYTG-UHFFFAOYSA-N 0 0 295.766 3.739 50 0 CHAARN CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(C)n1 ZINC000040051497 174184839 /nfs/dbraw/zinc/18/48/39/174184839.db2.gz IMZGLAARHHIPLI-AWEZNQCLSA-N 0 0 286.400 3.601 50 0 CHAARN CC(C)c1noc(CN(Cc2ccccc2)C(C)C)n1 ZINC000040049395 174184917 /nfs/dbraw/zinc/18/49/17/174184917.db2.gz GDZQHKWTILSYJJ-UHFFFAOYSA-N 0 0 273.380 3.604 50 0 CHAARN Cc1cc(Sc2nnc(-c3ccccc3C)o2)nc(C)n1 ZINC000040051207 174185038 /nfs/dbraw/zinc/18/50/38/174185038.db2.gz ATZOGPXLXDMVCR-UHFFFAOYSA-N 0 0 298.371 3.603 50 0 CHAARN Cc1cc(Cl)ccc1NC(=O)/C=C/c1ccncc1 ZINC000040052075 174185557 /nfs/dbraw/zinc/18/55/57/174185557.db2.gz PLCAROSCFWRSEI-GORDUTHDSA-N 0 0 272.735 3.695 50 0 CHAARN Cc1ccc([C@H](C)NC(=O)c2cc3cc(F)ccc3[nH]2)o1 ZINC000040058951 174185702 /nfs/dbraw/zinc/18/57/02/174185702.db2.gz MFMHPEFEPSQNBU-JTQLQIEISA-N 0 0 286.306 3.699 50 0 CHAARN C[C@@H](NC(=O)CC(F)(F)F)c1ccc(Cl)s1 ZINC000040074608 174187236 /nfs/dbraw/zinc/18/72/36/174187236.db2.gz HXSCKKBFPWRRPD-RXMQYKEDSA-N 0 0 271.691 3.531 50 0 CHAARN Cc1cc2cc(NC(=O)c3ccc4[nH]cnc4c3)ccc2[nH]1 ZINC000040087319 174188142 /nfs/dbraw/zinc/18/81/42/174188142.db2.gz WVKPKDSHGVIIHB-UHFFFAOYSA-N 0 0 290.326 3.605 50 0 CHAARN Cc1nc(C(C)C)sc1C(=O)N[C@@H](C)Cc1ccco1 ZINC000040094058 174189733 /nfs/dbraw/zinc/18/97/33/174189733.db2.gz DDGHUNDYEOQKFB-JTQLQIEISA-N 0 0 292.404 3.529 50 0 CHAARN Cc1nc(C(C)C)sc1C(=O)N[C@H](C)Cc1ccco1 ZINC000040094060 174189842 /nfs/dbraw/zinc/18/98/42/174189842.db2.gz DDGHUNDYEOQKFB-SNVBAGLBSA-N 0 0 292.404 3.529 50 0 CHAARN Cc1ccc(C)c(NC(=O)NCCc2ccccc2F)c1 ZINC000040095016 174189926 /nfs/dbraw/zinc/18/99/26/174189926.db2.gz ZLRBBOONTTVOKG-UHFFFAOYSA-N 0 0 286.350 3.807 50 0 CHAARN COCc1ccccc1CNC(=O)Nc1cc(C)ccc1C ZINC000040094992 174189992 /nfs/dbraw/zinc/18/99/92/174189992.db2.gz GPGNQFIJUUWFBH-UHFFFAOYSA-N 0 0 298.386 3.772 50 0 CHAARN C[C@@H]1CCCN(C(=O)Nc2cccc(Br)c2)C1 ZINC000040095239 174190016 /nfs/dbraw/zinc/19/00/16/174190016.db2.gz DUUQTOAGYNJCII-SNVBAGLBSA-N 0 0 297.196 3.713 50 0 CHAARN COc1ccc(Cl)cc1NC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000040096183 174190234 /nfs/dbraw/zinc/19/02/34/174190234.db2.gz JWCZPXWBRKOBNO-PHIMTYICSA-N 0 0 296.798 3.858 50 0 CHAARN Cc1cc(F)ccc1NC(=O)N[C@H]1CCCC[C@H]1C ZINC000040103563 174190378 /nfs/dbraw/zinc/19/03/78/174190378.db2.gz FGWAFLGSGJQXJO-MFKMUULPSA-N 0 0 264.344 3.834 50 0 CHAARN C[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cccs1 ZINC000040106903 174191077 /nfs/dbraw/zinc/19/10/77/174191077.db2.gz WFWJFYVVLDFSES-LLVKDONJSA-N 0 0 293.819 3.691 50 0 CHAARN Cc1ccc(OCCCCNC(=O)[C@H]2CC=CCC2)cc1 ZINC000040122473 174193210 /nfs/dbraw/zinc/19/32/10/174193210.db2.gz LSVKKHWHOXCIMQ-INIZCTEOSA-N 0 0 287.403 3.627 50 0 CHAARN Cn1c2ccccc2c(Cl)c1C(=O)NCc1ccccc1 ZINC000040142873 174194011 /nfs/dbraw/zinc/19/40/11/174194011.db2.gz UZWGAEXERKVXBT-UHFFFAOYSA-N 0 0 298.773 3.762 50 0 CHAARN CNC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000040156498 174194602 /nfs/dbraw/zinc/19/46/02/174194602.db2.gz NDABWIFYEPHMIM-UHFFFAOYSA-N 0 0 275.179 3.543 50 0 CHAARN Cc1cnc(NC(=O)c2cc(C)n(C(C)C)c2C)s1 ZINC000040160188 174195335 /nfs/dbraw/zinc/19/53/35/174195335.db2.gz JRBZSKRFXCNPJL-UHFFFAOYSA-N 0 0 277.393 3.703 50 0 CHAARN Cc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)c(C)o1 ZINC000040159555 174195643 /nfs/dbraw/zinc/19/56/43/174195643.db2.gz MZOPVIFWAWEYNT-UHFFFAOYSA-N 0 0 295.741 3.961 50 0 CHAARN CN(Cc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000040161466 174196563 /nfs/dbraw/zinc/19/65/63/174196563.db2.gz WQTPUWJQVHLXSP-UHFFFAOYSA-N 0 0 264.328 3.978 50 0 CHAARN O[C@@H](c1ccccc1)c1cc(Br)ccc1F ZINC000040244036 174214117 /nfs/dbraw/zinc/21/41/17/174214117.db2.gz IHUOBAUBJGOIHI-ZDUSSCGKSA-N 0 0 281.124 3.670 50 0 CHAARN O=C1Nc2ccccc2[C@H]1Cc1c(F)cccc1Cl ZINC000040267120 174218434 /nfs/dbraw/zinc/21/84/34/174218434.db2.gz KWIPHIPGIZMFKE-SNVBAGLBSA-N 0 0 275.710 3.758 50 0 CHAARN Cc1nc(Cl)c(N)c(Oc2ccc(Cl)cc2F)n1 ZINC000040428524 174258870 /nfs/dbraw/zinc/25/88/70/174258870.db2.gz LGEIQOXVIJYIMT-UHFFFAOYSA-N 0 0 288.109 3.605 50 0 CHAARN O=C(N[C@@H]1CCCc2occc21)c1cc2ccccc2[nH]1 ZINC000040432422 174260919 /nfs/dbraw/zinc/26/09/19/174260919.db2.gz FEMDSOBNZJVCHH-CQSZACIVSA-N 0 0 280.327 3.568 50 0 CHAARN O=C(c1cc(Cl)ccc1F)N1CCC[C@H]1c1ccc[nH]1 ZINC000040433550 174261040 /nfs/dbraw/zinc/26/10/40/174261040.db2.gz SXAXFEUOQMLQOA-AWEZNQCLSA-N 0 0 292.741 3.785 50 0 CHAARN CC(=O)Nc1cc(NC(=O)CC2CCCCC2)ccc1F ZINC000040490031 174291179 /nfs/dbraw/zinc/29/11/79/174291179.db2.gz ZZUGHNRMRZUMOI-UHFFFAOYSA-N 0 0 292.354 3.693 50 0 CHAARN Cc1cccc(C(C)C)c1NC(=O)NC1CCC(O)CC1 ZINC000040526086 174313747 /nfs/dbraw/zinc/31/37/47/174313747.db2.gz KCGDRVHOPSIGHB-UHFFFAOYSA-N 0 0 290.407 3.543 50 0 CHAARN CSc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000040526838 174314765 /nfs/dbraw/zinc/31/47/65/174314765.db2.gz APYJHTDWHIRKJF-UHFFFAOYSA-N 0 0 264.394 3.816 50 0 CHAARN Clc1cc(Br)c(-c2ccccc2)nn1 ZINC000040564752 174336812 /nfs/dbraw/zinc/33/68/12/174336812.db2.gz UCPHOSBKNXETOZ-UHFFFAOYSA-N 0 0 269.529 3.560 50 0 CHAARN CC(C)(C)c1ccc(C(=O)NCc2ccccc2)o1 ZINC000041107821 174481626 /nfs/dbraw/zinc/48/16/26/174481626.db2.gz FVBFHBNUJLGKLY-UHFFFAOYSA-N 0 0 257.333 3.507 50 0 CHAARN CC(C)[C@@H](CNC(=O)c1ccccc1)Nc1ccccc1 ZINC000041787668 174623072 /nfs/dbraw/zinc/62/30/72/174623072.db2.gz NPVOCHXOVKEFBJ-QGZVFWFLSA-N 0 0 282.387 3.553 50 0 CHAARN CC[C@@H](NC(=O)c1ccc(Br)cc1)C(C)C ZINC000042550593 174790089 /nfs/dbraw/zinc/79/00/89/174790089.db2.gz VWZGDAKAEFBVSZ-GFCCVEGCSA-N 0 0 284.197 3.614 50 0 CHAARN Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000042653953 174833217 /nfs/dbraw/zinc/83/32/17/174833217.db2.gz SFCQYLWPOCPKMD-ZHACJKMWSA-N 0 0 291.347 3.547 50 0 CHAARN O=C(c1ccc(C2OCCO2)s1)c1cccc(Cl)c1 ZINC000043210403 174984228 /nfs/dbraw/zinc/98/42/28/174984228.db2.gz AEYJIVYCMWOREM-UHFFFAOYSA-N 0 0 294.759 3.678 50 0 CHAARN CCOC(=O)CCCCC(=O)c1ccc(Cl)cc1F ZINC000043214371 174984664 /nfs/dbraw/zinc/98/46/64/174984664.db2.gz BIPWTTDVCADHBS-UHFFFAOYSA-N 0 0 286.730 3.785 50 0 CHAARN C[C@@H]1CCC[C@H](NC(=O)Cc2cccc3cccnc32)[C@@H]1C ZINC000043491881 175057834 /nfs/dbraw/zinc/05/78/34/175057834.db2.gz RQZIUTDNRCURFR-CPUCHLNUSA-N 0 0 296.414 3.718 50 0 CHAARN CC[C@H](C)NC(=O)Nc1ccccc1SC(F)F ZINC000043552859 175064644 /nfs/dbraw/zinc/06/46/44/175064644.db2.gz UPPUWJPGROWZMA-QMMMGPOBSA-N 0 0 274.336 3.921 50 0 CHAARN O=C1Nc2cc(Br)ccc2C12CCCCC2 ZINC000043828182 175115072 /nfs/dbraw/zinc/11/50/72/175115072.db2.gz PSTLTQRIXYVFHG-UHFFFAOYSA-N 0 0 280.165 3.603 50 0 CHAARN Cc1noc(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000044227544 175155043 /nfs/dbraw/zinc/15/50/43/175155043.db2.gz CVTWDHFTOQTYJC-UHFFFAOYSA-N 0 0 294.314 3.689 50 0 CHAARN Cc1noc([C@H](C)Nc2ccc3c4c(cccc42)CC3)n1 ZINC000044586721 175211280 /nfs/dbraw/zinc/21/12/80/175211280.db2.gz VRQFWJVNMHQGGT-JTQLQIEISA-N 0 0 279.343 3.803 50 0 CHAARN CCOc1ccccc1CNC(=O)Nc1ccc(F)cc1 ZINC000044845292 175264477 /nfs/dbraw/zinc/26/44/77/175264477.db2.gz MTOSZVKZMHPRGZ-UHFFFAOYSA-N 0 0 288.322 3.546 50 0 CHAARN O=c1ccc(-c2ccccc2Cl)nn1Cc1ccccc1 ZINC000044892261 175272944 /nfs/dbraw/zinc/27/29/44/175272944.db2.gz MOONSYJOWKMFJF-UHFFFAOYSA-N 0 0 296.757 3.612 50 0 CHAARN CC(C)(C)c1nnc(CN2CCC[C@@H]2c2cccs2)o1 ZINC000044914519 175276245 /nfs/dbraw/zinc/27/62/45/175276245.db2.gz FONICMPHCOFGLN-LLVKDONJSA-N 0 0 291.420 3.766 50 0 CHAARN CCOC(=O)c1ccc(-c2cnc3ccccc3c2)o1 ZINC000045028410 175293250 /nfs/dbraw/zinc/29/32/50/175293250.db2.gz GIEODRCHDMWSBP-UHFFFAOYSA-N 0 0 267.284 3.672 50 0 CHAARN Cc1cccc(-c2ccc(Br)cc2F)n1 ZINC000045028359 175293276 /nfs/dbraw/zinc/29/32/76/175293276.db2.gz HWBLUWUWPWZXRV-UHFFFAOYSA-N 0 0 266.113 3.959 50 0 CHAARN Cc1ccncc1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000045029035 175293851 /nfs/dbraw/zinc/29/38/51/175293851.db2.gz HPLNKRKDDHUAKU-UHFFFAOYSA-N 0 0 266.127 3.928 50 0 CHAARN Cc1ccncc1C(=O)c1cccc(C(F)(F)F)c1 ZINC000045028991 175293887 /nfs/dbraw/zinc/29/38/87/175293887.db2.gz JPRTVLFSGZNGIM-UHFFFAOYSA-N 0 0 265.234 3.640 50 0 CHAARN Cc1ccc(C(=O)c2cccc(C(F)(F)F)c2)cn1 ZINC000045029058 175293921 /nfs/dbraw/zinc/29/39/21/175293921.db2.gz HWDDLWREUHHCJJ-UHFFFAOYSA-N 0 0 265.234 3.640 50 0 CHAARN C[C@@H]1CCC[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000045204754 175327167 /nfs/dbraw/zinc/32/71/67/175327167.db2.gz IGGVVPUTYUSMEG-LIFKJRKOSA-N 0 0 275.436 3.898 50 0 CHAARN Cc1cccc(C(=O)N(Cc2cccs2)C2CC2)c1 ZINC000045257818 175336936 /nfs/dbraw/zinc/33/69/36/175336936.db2.gz GXRHFPJPAKMAGT-UHFFFAOYSA-N 0 0 271.385 3.861 50 0 CHAARN CC(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C ZINC000045760785 175383122 /nfs/dbraw/zinc/38/31/22/175383122.db2.gz GJYYRVIDBPYWFF-UHFFFAOYSA-N 0 0 283.331 3.597 50 0 CHAARN CCc1ccccc1NC(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000047351972 175407411 /nfs/dbraw/zinc/40/74/11/175407411.db2.gz AWYMXSAXIVQRDV-HNNXBMFYSA-N 0 0 299.374 3.914 50 0 CHAARN C[C@@H](Sc1nnnn1C1CC1)c1ccccc1Cl ZINC000048396198 175431942 /nfs/dbraw/zinc/43/19/42/175431942.db2.gz GFNBPIRDYDNHRU-MRVPVSSYSA-N 0 0 280.784 3.515 50 0 CHAARN Cc1cc(Br)cc(C)c1NC(=O)N1CCCC1 ZINC000048466559 175434540 /nfs/dbraw/zinc/43/45/40/175434540.db2.gz HUEQOKNNVPTVOV-UHFFFAOYSA-N 0 0 297.196 3.694 50 0 CHAARN CC(C)Oc1ccc(NC(=O)NCc2ccco2)c(F)c1 ZINC000052268000 175534278 /nfs/dbraw/zinc/53/42/78/175534278.db2.gz RBDCPUIOCVFRAV-UHFFFAOYSA-N 0 0 292.310 3.528 50 0 CHAARN C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2nnsc2Cl)o1 ZINC000053426514 175548922 /nfs/dbraw/zinc/54/89/22/175548922.db2.gz SBMVWOYKJXBCSA-WPRPVWTQSA-N 0 0 297.811 3.540 50 0 CHAARN Cc1ccc([C@H](C)Nc2nnnn2-c2ccc(C)cc2)s1 ZINC000053582125 175549718 /nfs/dbraw/zinc/54/97/18/175549718.db2.gz PLRGIHBPIRNERV-LBPRGKRZSA-N 0 0 299.403 3.514 50 0 CHAARN CC[C@@H](NC(=O)N1CCc2ccccc21)c1cccs1 ZINC000056539604 175584960 /nfs/dbraw/zinc/58/49/60/175584960.db2.gz XFNICFMTGNLXSZ-CYBMUJFWSA-N 0 0 286.400 3.972 50 0 CHAARN O=[S@](Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000058131496 175607681 /nfs/dbraw/zinc/60/76/81/175607681.db2.gz JWBPNABELLAWOA-KRWDZBQOSA-N 0 0 264.777 3.789 50 0 CHAARN O=[S@@](Cc1ccccc1)Cc1c(F)cccc1Cl ZINC000058184122 175610558 /nfs/dbraw/zinc/61/05/58/175610558.db2.gz DHDBZOOWOOVWMK-GOSISDBHSA-N 0 0 282.767 3.928 50 0 CHAARN C[C@H]1CCCN(C(=O)Nc2ccccc2OC(F)F)C1 ZINC000058217901 175612680 /nfs/dbraw/zinc/61/26/80/175612680.db2.gz OUYLVBQPRHCANX-JTQLQIEISA-N 0 0 284.306 3.552 50 0 CHAARN CN(Cc1ccccn1)C(=O)c1ccc(Cl)cc1Cl ZINC000058568361 175626788 /nfs/dbraw/zinc/62/67/88/175626788.db2.gz OYPRHNKQGIFSEN-UHFFFAOYSA-N 0 0 295.169 3.661 50 0 CHAARN CCN(C(=O)c1sc(C)nc1C)c1ccccc1C ZINC000058641511 175627576 /nfs/dbraw/zinc/62/75/76/175627576.db2.gz AQGXQQFUBQDJSE-UHFFFAOYSA-N 0 0 274.389 3.735 50 0 CHAARN CN(Cc1ccccc1)C(=O)c1cccc2cnccc21 ZINC000064542144 175692220 /nfs/dbraw/zinc/69/22/20/175692220.db2.gz UCBUGAKYKKVSEH-UHFFFAOYSA-N 0 0 276.339 3.507 50 0 CHAARN CCc1noc2ncnc(Nc3cccc(C)c3C)c12 ZINC000064658757 175696549 /nfs/dbraw/zinc/69/65/49/175696549.db2.gz GIKYVYSEXDBMTC-UHFFFAOYSA-N 0 0 268.320 3.541 50 0 CHAARN Cc1ccc(C(=O)Nc2cc(-c3ccco3)no2)c(C)c1 ZINC000065153037 175701227 /nfs/dbraw/zinc/70/12/27/175701227.db2.gz ABVMWKKJIRLUMI-UHFFFAOYSA-N 0 0 282.299 3.804 50 0 CHAARN CC(C)n1nc(CNC(=O)c2ccsc2)c2ccccc21 ZINC000065219793 175704557 /nfs/dbraw/zinc/70/45/57/175704557.db2.gz LGDDOVLFFFSDLK-UHFFFAOYSA-N 0 0 299.399 3.609 50 0 CHAARN CC(C)n1cnc2ccc(-c3noc(-c4ccco4)n3)cc21 ZINC000065240619 175705472 /nfs/dbraw/zinc/70/54/72/175705472.db2.gz FHMCLMZVMJEBHD-UHFFFAOYSA-N 0 0 294.314 3.927 50 0 CHAARN O=C(CCc1cccc2ccccc21)Nc1cccnc1 ZINC000067338871 175773187 /nfs/dbraw/zinc/77/31/87/175773187.db2.gz DGPXXFMBDHAZJS-UHFFFAOYSA-N 0 0 276.339 3.806 50 0 CHAARN COc1cccc(F)c1-c1ccc([C@@H](C)NC(C)=O)cc1 ZINC000067852236 175797681 /nfs/dbraw/zinc/79/76/81/175797681.db2.gz CDCLIMMWDUMJOK-LLVKDONJSA-N 0 0 287.334 3.698 50 0 CHAARN CC(=O)c1ccccc1-c1ccc(C(=O)NC(C)(C)C)o1 ZINC000067965286 175803967 /nfs/dbraw/zinc/80/39/67/175803967.db2.gz YWJQYUBRWDQCMF-UHFFFAOYSA-N 0 0 285.343 3.678 50 0 CHAARN Cc1ccsc1C(=O)Nc1ccc2c(c1)CCCN2 ZINC000071214779 176086189 /nfs/dbraw/zinc/08/61/89/176086189.db2.gz PISHSIFMHAXKLA-UHFFFAOYSA-N 0 0 272.373 3.667 50 0 CHAARN Clc1ccccc1Cc1nc2c3ccccc3ncn2n1 ZINC000071280794 176108809 /nfs/dbraw/zinc/10/88/09/176108809.db2.gz JBKXXJXGAICGMM-UHFFFAOYSA-N 0 0 294.745 3.522 50 0 CHAARN CC(C)[C@H](Nc1nccc(C2CCCC2)n1)c1nccn1C ZINC000071404023 176155377 /nfs/dbraw/zinc/15/53/77/176155377.db2.gz FGZYFGRKYQYRKI-HNNXBMFYSA-N 0 0 299.422 3.677 50 0 CHAARN CCc1[nH]c2c(cc(C)cc2CNC(=O)C(C)C)c1C ZINC000071523998 176193981 /nfs/dbraw/zinc/19/39/81/176193981.db2.gz GTBLBKLQTSFGTR-UHFFFAOYSA-N 0 0 272.392 3.619 50 0 CHAARN c1ccc(CCCCc2nn3c(nnc3C3CC3)s2)cc1 ZINC000071551726 176196743 /nfs/dbraw/zinc/19/67/43/176196743.db2.gz UNICKNNQKJEQOQ-UHFFFAOYSA-N 0 0 298.415 3.629 50 0 CHAARN CC(C)=CC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000071750736 176259935 /nfs/dbraw/zinc/25/99/35/176259935.db2.gz LFMCRHYDHOENLN-UHFFFAOYSA-N 0 0 282.387 3.629 50 0 CHAARN O=C(Nc1cnc(-c2ccccc2)nc1)C1CCCCC1 ZINC000071812299 176268168 /nfs/dbraw/zinc/26/81/68/176268168.db2.gz MSWMIKSHGKFMML-UHFFFAOYSA-N 0 0 281.359 3.662 50 0 CHAARN CON(C)C(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000071838884 176274603 /nfs/dbraw/zinc/27/46/03/176274603.db2.gz LEUIPOZNBHTYMZ-UHFFFAOYSA-N 0 0 281.783 3.562 50 0 CHAARN CCC[C@H]1CCCN(C(=O)CCc2nccs2)CC1 ZINC000071845431 176275490 /nfs/dbraw/zinc/27/54/90/176275490.db2.gz YWJMCSGWGTYUCB-ZDUSSCGKSA-N 0 0 280.437 3.505 50 0 CHAARN CC(C)n1nccc1NC(=O)[C@H](C)SC1CCCCC1 ZINC000071846654 176276274 /nfs/dbraw/zinc/27/62/74/176276274.db2.gz ZOTXSJCKCNUCSU-LBPRGKRZSA-N 0 0 295.452 3.857 50 0 CHAARN CC[C@@H](C(=O)Nc1ccncc1C)c1ccccc1 ZINC000071885871 176289956 /nfs/dbraw/zinc/28/99/56/176289956.db2.gz UEBYSMNKHYRURL-CQSZACIVSA-N 0 0 254.333 3.522 50 0 CHAARN CC[C@H](C)c1nnc(-c2cnc3onc(C4CC4)c3c2)o1 ZINC000071890725 176290953 /nfs/dbraw/zinc/29/09/53/176290953.db2.gz ZCPHDPNCSHHFLX-QMMMGPOBSA-N 0 0 284.319 3.664 50 0 CHAARN Cc1ccc(N[C@H](C)c2c(F)cccc2F)cc1C(N)=O ZINC000071902690 176294415 /nfs/dbraw/zinc/29/44/15/176294415.db2.gz ZJOWKARPFOEJHU-SNVBAGLBSA-N 0 0 290.313 3.545 50 0 CHAARN Cc1cccnc1[C@H](NC(=O)c1ccsc1)C(C)C ZINC000071908534 176296740 /nfs/dbraw/zinc/29/67/40/176296740.db2.gz NMUJHDOXTZFILQ-CYBMUJFWSA-N 0 0 274.389 3.579 50 0 CHAARN CC(C)Cc1noc(-c2ccc(-c3cccc(O)c3)nc2)n1 ZINC000072132060 176321532 /nfs/dbraw/zinc/32/15/32/176321532.db2.gz MKDKVDZOUCPZRZ-UHFFFAOYSA-N 0 0 295.342 3.703 50 0 CHAARN CC[C@@H](Nc1ccc2cc[nH]c2n1)c1cc(C)ccn1 ZINC000072146333 176325077 /nfs/dbraw/zinc/32/50/77/176325077.db2.gz OSUFVGGFOGVEAT-CYBMUJFWSA-N 0 0 266.348 3.830 50 0 CHAARN C[C@H](Nc1ccc2cc[nH]c2n1)c1nc2ccccc2[nH]1 ZINC000072150631 176326663 /nfs/dbraw/zinc/32/66/63/176326663.db2.gz OIOIYLXBSAXPRW-JTQLQIEISA-N 0 0 277.331 3.612 50 0 CHAARN CCc1cc(-c2nccn2-c2cccc3cccnc32)on1 ZINC000072153043 176327944 /nfs/dbraw/zinc/32/79/44/176327944.db2.gz CMAFVMDBFIMAIX-UHFFFAOYSA-N 0 0 290.326 3.638 50 0 CHAARN Cc1ccc(F)c(CN2CC(c3ccccn3)C2)c1Cl ZINC000072158543 176329499 /nfs/dbraw/zinc/32/94/99/176329499.db2.gz OAKRQXOLPJCOAC-UHFFFAOYSA-N 0 0 290.769 3.782 50 0 CHAARN Cc1cc(C)c(NC(=O)c2ccc(C)c(F)c2)c(C)n1 ZINC000072276924 176356787 /nfs/dbraw/zinc/35/67/87/176356787.db2.gz DDZYMUIXOFBJPH-UHFFFAOYSA-N 0 0 272.323 3.707 50 0 CHAARN C[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3nccs3)C2)C1 ZINC000072295638 176363608 /nfs/dbraw/zinc/36/36/08/176363608.db2.gz JUPZNAGDFANJDL-MCIONIFRSA-N 0 0 292.448 3.675 50 0 CHAARN O=C(NCc1coc(-c2ccccc2)n1)Nc1ccccc1 ZINC000072302913 176365582 /nfs/dbraw/zinc/36/55/82/176365582.db2.gz NMLMFJARCIBVHT-UHFFFAOYSA-N 0 0 293.326 3.663 50 0 CHAARN CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)s1 ZINC000072312793 176368040 /nfs/dbraw/zinc/36/80/40/176368040.db2.gz KSXGGUAXENRCPP-IUCAKERBSA-N 0 0 289.853 3.806 50 0 CHAARN Fc1cc2c(Br)cncc2cc1Cl ZINC000072319635 176368611 /nfs/dbraw/zinc/36/86/11/176368611.db2.gz LFSNMZKTWDLKEC-UHFFFAOYSA-N 0 0 260.493 3.790 50 0 CHAARN O=C(/C=C/c1ccccc1)Nc1c[nH]c2ccccc12 ZINC000072324507 176369738 /nfs/dbraw/zinc/36/97/38/176369738.db2.gz MJUYAOOJOHATBR-ZHACJKMWSA-N 0 0 262.312 3.820 50 0 biogenic CHAARN Cc1csc(NC(=O)c2nc(C)sc2C(C)C)n1 ZINC000072402269 176396971 /nfs/dbraw/zinc/39/69/71/176396971.db2.gz QSKBFEFJKRRIAM-UHFFFAOYSA-N 0 0 281.406 3.592 50 0 CHAARN Oc1ccccc1-c1ccnc2c(-c3ccccc3)cnn21 ZINC000072403275 176397264 /nfs/dbraw/zinc/39/72/64/176397264.db2.gz OPEFXIZCTKEJTE-UHFFFAOYSA-N 0 0 287.322 3.769 50 0 CHAARN CCOc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1Cl ZINC000072441824 176403928 /nfs/dbraw/zinc/40/39/28/176403928.db2.gz REIMEAJARCVHKX-LLVKDONJSA-N 0 0 281.783 3.611 50 0 CHAARN C[C@@H]1C[C@H](c2ccsc2)CN1C(=O)CCc1ccco1 ZINC000075145804 176666318 /nfs/dbraw/zinc/66/63/18/176666318.db2.gz LIILRSNQPZLPQT-OCCSQVGLSA-N 0 0 289.400 3.678 50 0 CHAARN Cc1ccc(O[C@H](C)C(=O)N(C)c2ccccc2)c(C)c1 ZINC000075402869 176691762 /nfs/dbraw/zinc/69/17/62/176691762.db2.gz WNFJCZMSYNJIGK-OAHLLOKOSA-N 0 0 283.371 3.734 50 0 CHAARN CCn1nc(C)c(NC(=O)Nc2cccc3[nH]ccc32)c1C ZINC000076070275 176897821 /nfs/dbraw/zinc/89/78/21/176897821.db2.gz TYONUEGLAIMMFA-UHFFFAOYSA-N 0 0 297.362 3.645 50 0 CHAARN Cc1cc2ncn([C@H](C)C(=O)N3CCCCCC3)c2cc1C ZINC000076556439 177037701 /nfs/dbraw/zinc/03/77/01/177037701.db2.gz UILCGAPKOQWHHJ-OAHLLOKOSA-N 0 0 299.418 3.617 50 0 CHAARN O=C1c2ccccc2COc2cc(C(F)(F)F)ccc21 ZINC000076914552 177132934 /nfs/dbraw/zinc/13/29/34/177132934.db2.gz LJXVSEITOIGFPP-UHFFFAOYSA-N 0 0 278.229 3.829 50 0 CHAARN CC[C@H]1COCCN1Cc1cccc(-c2ccco2)c1 ZINC000077286793 177249349 /nfs/dbraw/zinc/24/93/49/177249349.db2.gz FVTLDMHCVKEHHA-INIZCTEOSA-N 0 0 271.360 3.557 50 0 CHAARN Cn1cccc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077301922 177250527 /nfs/dbraw/zinc/25/05/27/177250527.db2.gz UMCQKJHKKHASNW-HNNXBMFYSA-N 0 0 286.350 3.532 50 0 CHAARN Cc1occc1C(=O)N1CCC(Oc2cccc(C)c2)CC1 ZINC000077470823 177271599 /nfs/dbraw/zinc/27/15/99/177271599.db2.gz ULZFJNSSDKESDO-UHFFFAOYSA-N 0 0 299.370 3.580 50 0 CHAARN CC(=O)c1c(C)[nH]c(C(=O)c2cc3nc(C)ccc3o2)c1C ZINC000078441025 177341876 /nfs/dbraw/zinc/34/18/76/177341876.db2.gz CKOUIGQWCZWCKE-UHFFFAOYSA-N 0 0 296.326 3.515 50 0 CHAARN C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1ccccc1F ZINC000078556015 177353880 /nfs/dbraw/zinc/35/38/80/177353880.db2.gz GREDOJNTQLJTQA-JEOXALJRSA-N 0 0 280.339 3.975 50 0 CHAARN Cc1nc2ccc(NC(=O)/C=C/c3ccco3)cc2s1 ZINC000005578268 260018726 /nfs/dbraw/zinc/01/87/26/260018726.db2.gz AARZBJSBECPYDE-FNORWQNLSA-N 0 0 284.340 3.850 50 0 CHAARN C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccco1 ZINC000008756893 260033364 /nfs/dbraw/zinc/03/33/64/260033364.db2.gz KRYDOULNNJZFEB-ZDUSSCGKSA-N 0 0 279.339 3.853 50 0 CHAARN C[C@@H](CCc1ccco1)Nc1nc(-c2ccccc2)no1 ZINC000021629867 260121751 /nfs/dbraw/zinc/12/17/51/260121751.db2.gz AVHFYVYENXHNPX-LBPRGKRZSA-N 0 0 283.331 3.763 50 0 CHAARN C[C@@H](c1cccs1)n1ccnc1-c1cccc(O)c1 ZINC000071753045 260273492 /nfs/dbraw/zinc/27/34/92/260273492.db2.gz SGZYKQUTHNASBX-NSHDSACASA-N 0 0 270.357 3.927 50 0 CHAARN COC(=O)[C@]12CC[C@@]1(C(=O)OC)CCCCCCCCC2 ZINC000043761795 263296287 /nfs/dbraw/zinc/29/62/87/263296287.db2.gz ITILQRWTDFQEPS-CALCHBBNSA-N 0 0 296.407 3.624 50 0 CHAARN Cc1ncsc1-c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000225592164 327940317 /nfs/dbraw/zinc/94/03/17/327940317.db2.gz WEPQUTMSWRMARJ-UHFFFAOYSA-N 0 0 282.328 3.650 50 0 CHAARN CN(C)C(=O)Nc1cc(-c2ccccc2)ccc1N(C)C ZINC000263615161 328155816 /nfs/dbraw/zinc/15/58/16/328155816.db2.gz AXNPZPCDSCQASQ-UHFFFAOYSA-N 0 0 283.375 3.513 50 0 CHAARN Cc1ccoc1C(=O)N[C@@H](CC(C)C)c1cccnc1 ZINC000534642145 328328783 /nfs/dbraw/zinc/32/87/83/328328783.db2.gz PCMPYZRJLBMDRV-AWEZNQCLSA-N 0 0 272.348 3.500 50 0 CHAARN Fc1ccc(NC(=S)Nc2ccc(Cl)cn2)c(F)c1 ZINC000000610581 326792681 /nfs/dbraw/zinc/79/26/81/326792681.db2.gz WBGUOCIFMFIREB-UHFFFAOYSA-N 0 0 299.733 3.822 50 0 CHAARN O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccncc1 ZINC000005689322 326816676 /nfs/dbraw/zinc/81/66/76/326816676.db2.gz ZMCGNJJWFICTNN-UHFFFAOYSA-N 0 0 295.386 3.714 50 0 CHAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(F)c(F)c1 ZINC000013008452 326836336 /nfs/dbraw/zinc/83/63/36/326836336.db2.gz PPBUZWDYDSHEET-SNVBAGLBSA-N 0 0 273.282 3.556 50 0 CHAARN CC[C@@H](NC(=O)Cc1cccs1)c1ccc(C)cc1 ZINC000013329223 326839720 /nfs/dbraw/zinc/83/97/20/326839720.db2.gz HHBFVOHANJEVOY-OAHLLOKOSA-N 0 0 273.401 3.867 50 0 CHAARN O=C1CS[C@@H](c2cccc(Cl)c2Cl)N1C1CC1 ZINC000017197964 326852442 /nfs/dbraw/zinc/85/24/42/326852442.db2.gz SHRKBROVTDGOQA-LBPRGKRZSA-N 0 0 288.199 3.730 50 0 CHAARN O=C(Nc1nc(-c2ccco2)cs1)C1CCCC1 ZINC000040111381 326926981 /nfs/dbraw/zinc/92/69/81/326926981.db2.gz LQDHYOUMOOCERD-UHFFFAOYSA-N 0 0 262.334 3.532 50 0 CHAARN C(=C\c1ccncn1)\c1csc(-c2cccs2)n1 ZINC000255101441 326942841 /nfs/dbraw/zinc/94/28/41/326942841.db2.gz FWSSEKCHKPHASF-ARJAWSKDSA-N 0 0 271.370 3.832 50 0 CHAARN Cc1nccn1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000096010441 327087358 /nfs/dbraw/zinc/08/73/58/327087358.db2.gz NHEGSTLBVMCMRY-UHFFFAOYSA-N 0 0 291.326 3.642 50 0 CHAARN 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O=C(Nc1cccc(Cl)c1)N1CCCCCC1 ZINC000000095143 567818038 /nfs/dbraw/zinc/81/80/38/567818038.db2.gz YUFQDZPPZGYQKQ-UHFFFAOYSA-N 0 0 252.745 3.748 50 0 CHAARN CCc1nc(=S)c2c3c(sc2[nH]1)CCCC3 ZINC000000091825 567818052 /nfs/dbraw/zinc/81/80/52/567818052.db2.gz PCHRFROVHWFSMZ-UHFFFAOYSA-N 0 0 250.392 3.795 50 0 CHAARN Cc1ccc(NC(=O)COc2cccc(Cl)c2)cc1C ZINC000000094076 567818087 /nfs/dbraw/zinc/81/80/87/567818087.db2.gz HRYUPAJETHHAPE-UHFFFAOYSA-N 0 0 289.762 3.974 50 0 CHAARN CCOc1ccccc1NC(=O)c1ccccc1C ZINC000000101450 567818165 /nfs/dbraw/zinc/81/81/65/567818165.db2.gz ZPDXUHNZPDAKDZ-UHFFFAOYSA-N 0 0 255.317 3.646 50 0 CHAARN COc1cccc(OC)c1C(=O)Nc1cccc(Cl)c1 ZINC000000101466 567818287 /nfs/dbraw/zinc/81/82/87/567818287.db2.gz HBMTWNAYKHIIOX-UHFFFAOYSA-N 0 0 291.734 3.610 50 0 CHAARN CCOc1ccc(C(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000000099148 567818314 /nfs/dbraw/zinc/81/83/14/567818314.db2.gz ITPSRBYXXLWMFW-KRWDZBQOSA-N 0 0 296.322 3.570 50 0 CHAARN Cc1ccc(/C=C/C(=O)N2CCCc3ccccc32)o1 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/nfs/dbraw/zinc/82/00/18/567820018.db2.gz LPAFKALFDTZCSC-UHFFFAOYSA-N 0 0 260.724 3.662 50 0 CHAARN COc1cccc(NC(=O)COc2c(C)ccc(C)c2C)c1 ZINC000000144549 567820097 /nfs/dbraw/zinc/82/00/97/567820097.db2.gz HDMLAEWUDBANHD-UHFFFAOYSA-N 0 0 299.370 3.638 50 0 CHAARN CCc1sc(N)nc1-c1ccc(Br)cc1 ZINC000000151410 567820316 /nfs/dbraw/zinc/82/03/16/567820316.db2.gz OAOCOZZWHGYZLK-UHFFFAOYSA-N 0 0 283.194 3.717 50 0 CHAARN CCc1ccccc1NC(=O)/C=C/c1ccccc1OC ZINC000000149612 567820425 /nfs/dbraw/zinc/82/04/25/567820425.db2.gz IIESRJOOSSQWJH-OUKQBFOZSA-N 0 0 281.355 3.910 50 0 CHAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(O)cc1 ZINC000000148031 567820449 /nfs/dbraw/zinc/82/04/49/567820449.db2.gz VABHVSYCGJYIOA-UHFFFAOYSA-N 0 0 281.233 3.663 50 0 CHAARN O=C(NCc1ccccn1)Nc1csc2ccccc12 ZINC000000159383 567820762 /nfs/dbraw/zinc/82/07/62/567820762.db2.gz RCUQLKWWAULLOK-UHFFFAOYSA-N 0 0 283.356 3.618 50 0 CHAARN CC(=O)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1cccs1 ZINC000000159450 567820766 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/nfs/dbraw/zinc/82/26/21/567822621.db2.gz LZVNOMSZAGXFQZ-BHYGNILZSA-N 0 0 251.329 3.931 50 0 biogenic CHAARN COc1cc2cccnc2c(NC(=O)c2cccs2)c1 ZINC000000218353 567822656 /nfs/dbraw/zinc/82/26/56/567822656.db2.gz FAUPSAVGSRPDAG-UHFFFAOYSA-N 0 0 284.340 3.557 50 0 CHAARN O=C(/C=C/c1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000000217179 567822679 /nfs/dbraw/zinc/82/26/79/567822679.db2.gz FKRPYXCRUAIJQQ-IENJSVCTSA-N 0 0 277.367 3.716 50 0 CHAARN O=C(Nc1ccc(Br)cc1)N1CCCCCC1 ZINC000000238274 567822898 /nfs/dbraw/zinc/82/28/98/567822898.db2.gz SSMJVNVYPIZFMF-UHFFFAOYSA-N 0 0 297.196 3.857 50 0 CHAARN CC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000000241085 567822916 /nfs/dbraw/zinc/82/29/16/567822916.db2.gz AXPSFDMOXWODLP-UHFFFAOYSA-N 0 0 288.734 3.551 50 0 CHAARN C[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2o1 ZINC000000247759 567822958 /nfs/dbraw/zinc/82/29/58/567822958.db2.gz KDVVPULXYNGHFJ-CYBMUJFWSA-N 0 0 279.339 3.794 50 0 CHAARN O=C(Nc1nccs1)c1ccc2ccccc2c1 ZINC000000273498 567823502 /nfs/dbraw/zinc/82/35/02/567823502.db2.gz KKFQXWRVYFMDOH-UHFFFAOYSA-N 0 0 254.314 3.549 50 0 CHAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCCC1 ZINC000000270092 567823606 /nfs/dbraw/zinc/82/36/06/567823606.db2.gz BQIGKWKYDZLPGR-UHFFFAOYSA-N 0 0 293.432 3.519 50 0 CHAARN CC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000000272541 567823615 /nfs/dbraw/zinc/82/36/15/567823615.db2.gz NXSPVAMXDGIDFR-UHFFFAOYSA-N 0 0 272.175 3.866 50 0 CHAARN Cc1cc(Cl)ccc1NC(=O)Cc1ccccc1 ZINC000000272317 567823657 /nfs/dbraw/zinc/82/36/57/567823657.db2.gz NNVOYUAYPBHELX-UHFFFAOYSA-N 0 0 259.736 3.830 50 0 CHAARN COc1ccc(Cl)cc1NC(=O)c1cccc(C)c1 ZINC000000271601 567823735 /nfs/dbraw/zinc/82/37/35/567823735.db2.gz CYNTXZLFTPCBBT-UHFFFAOYSA-N 0 0 275.735 3.909 50 0 CHAARN COc1ccccc1NC(=O)c1cc(Cl)ccc1OC ZINC000000272958 567823761 /nfs/dbraw/zinc/82/37/61/567823761.db2.gz HLMVKEUIFRPFAB-UHFFFAOYSA-N 0 0 291.734 3.610 50 0 CHAARN CC(=O)c1cc(Cl)ccc1OC(=O)c1ccccc1 ZINC000000285334 567823873 /nfs/dbraw/zinc/82/38/73/567823873.db2.gz HFZWFHOCVFRSPR-UHFFFAOYSA-N 0 0 274.703 3.762 50 0 CHAARN Cc1nc2cc(-c3ccc(F)cc3)nn2c(C)c1Cl ZINC000000280196 567823957 /nfs/dbraw/zinc/82/39/57/567823957.db2.gz CGCRNAVIRBBLBO-UHFFFAOYSA-N 0 0 275.714 3.806 50 0 CHAARN CC(C)(C)c1cc(CCO)cc(C(C)(C)C)c1O ZINC000000297179 567824422 /nfs/dbraw/zinc/82/44/22/567824422.db2.gz BRZPJNCKIKTYBE-UHFFFAOYSA-N 0 0 250.382 3.522 50 0 CHAARN CC(=O)Oc1c(O)c(C(C)(C)C)ccc1C(C)(C)C ZINC000000297217 567824435 /nfs/dbraw/zinc/82/44/35/567824435.db2.gz JUYLALHUQXXUMS-UHFFFAOYSA-N 0 0 264.365 3.913 50 0 CHAARN Clc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1 ZINC000000301169 567824573 /nfs/dbraw/zinc/82/45/73/567824573.db2.gz NXESWKOOFSNXRQ-UHFFFAOYSA-N 0 0 275.526 3.575 50 0 CHAARN O=C(Nc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000000299303 567824751 /nfs/dbraw/zinc/82/47/51/567824751.db2.gz MTINCTZJZIORPE-UHFFFAOYSA-N 0 0 267.662 3.871 50 0 CHAARN COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000000315503 567825144 /nfs/dbraw/zinc/82/51/44/567825144.db2.gz SHBYKMCHCNTZFP-AWEZNQCLSA-N 0 0 299.370 3.718 50 0 CHAARN O=C(COc1ccccc1)Nc1ccc2ccccc2c1 ZINC000000320953 567825157 /nfs/dbraw/zinc/82/51/57/567825157.db2.gz NOQLIKOFQQCAJF-UHFFFAOYSA-N 0 0 277.323 3.857 50 0 CHAARN S=C(Nc1nc2c(s1)CCCC2)Nc1ccccc1 ZINC000000315595 567825247 /nfs/dbraw/zinc/82/52/47/567825247.db2.gz BUSRHDKPPBTZPZ-UHFFFAOYSA-N 0 0 289.429 3.831 50 0 CHAARN Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1Cl ZINC000000317536 567825271 /nfs/dbraw/zinc/82/52/71/567825271.db2.gz WUFWCBQCHDRQOT-UHFFFAOYSA-N 0 0 289.718 3.629 50 0 CHAARN CC(C)OC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl ZINC000000316935 567825334 /nfs/dbraw/zinc/82/53/34/567825334.db2.gz HXDVJNJPAAOTJE-UHFFFAOYSA-N 0 0 292.718 3.978 50 0 CHAARN O=C(N(c1ccccc1)c1ccccc1)C(F)(F)F ZINC000000315057 567825364 /nfs/dbraw/zinc/82/53/64/567825364.db2.gz ZMJSWAIATYIZKV-UHFFFAOYSA-N 0 0 265.234 3.914 50 0 CHAARN Cc1c(C=O)c2ccccc2n1CCOc1ccccc1F ZINC000000317495 567825379 /nfs/dbraw/zinc/82/53/79/567825379.db2.gz ROCRNIAZIISJEO-UHFFFAOYSA-N 0 0 297.329 3.980 50 0 CHAARN COC(=O)/C(=C\c1ccc(C)cc1)c1ccccc1 ZINC000000330196 567825476 /nfs/dbraw/zinc/82/54/76/567825476.db2.gz PEENIKDWEGYNTL-VBKFSLOCSA-N 0 0 252.313 3.709 50 0 CHAARN COC(=O)/C(=C/c1ccc(C)cc1)c1ccccc1 ZINC000000330195 567825654 /nfs/dbraw/zinc/82/56/54/567825654.db2.gz PEENIKDWEGYNTL-FOWTUZBSSA-N 0 0 252.313 3.709 50 0 CHAARN Brc1ccc2ncc3sccc3c2n1 ZINC000000334530 567825663 /nfs/dbraw/zinc/82/56/63/567825663.db2.gz PEELDEPXRBFNMC-UHFFFAOYSA-N 0 0 265.135 3.607 50 0 CHAARN COc1ccc2nc(-c3ccccc3)cc(OC)c2c1 ZINC000000346079 567825878 /nfs/dbraw/zinc/82/58/78/567825878.db2.gz FOPOJTZHLOWKRN-UHFFFAOYSA-N 0 0 265.312 3.919 50 0 CHAARN CC(=O)NC[C@H]1Cc2ccccc2Sc2ccccc21 ZINC000000347347 567825926 /nfs/dbraw/zinc/82/59/26/567825926.db2.gz LMJIXMAUKHYANX-CQSZACIVSA-N 0 0 283.396 3.614 50 0 CHAARN COc1cc2c(cc1OC)C(=O)Cc1ccccc1S2 ZINC000000347352 567825933 /nfs/dbraw/zinc/82/59/33/567825933.db2.gz JZLDJWGUENCPFU-UHFFFAOYSA-N 0 0 286.352 3.594 50 0 CHAARN COC(=O)c1c(N)scc1-c1ccc2ccccc2c1 ZINC000000355452 567826288 /nfs/dbraw/zinc/82/62/88/567826288.db2.gz BIYRKJXNKALMOE-UHFFFAOYSA-N 0 0 283.352 3.937 50 0 CHAARN O=C1OC(c2ccccc2)=N[C@]12C[C@H]2c1ccc(Cl)cc1 ZINC000000356609 567826484 /nfs/dbraw/zinc/82/64/84/567826484.db2.gz ASJFWVSQCXWGOU-YOEHRIQHSA-N 0 0 297.741 3.570 50 0 CHAARN COc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000000361982 567826767 /nfs/dbraw/zinc/82/67/67/567826767.db2.gz OASYJKCQPDJQQR-UHFFFAOYSA-N 0 0 261.708 3.601 50 0 CHAARN Cc1c(Cl)cccc1NC(=O)Cc1cccs1 ZINC000000363077 567826896 /nfs/dbraw/zinc/82/68/96/567826896.db2.gz QVJIVFCGYGGJHV-UHFFFAOYSA-N 0 0 265.765 3.891 50 0 CHAARN Cc1ccc(NC(=O)CCc2ccccc2)c(C)c1 ZINC000000362819 567827000 /nfs/dbraw/zinc/82/70/00/567827000.db2.gz IZCCLDYJXVUXKS-UHFFFAOYSA-N 0 0 253.345 3.875 50 0 CHAARN COc1cccc(OC)c1C(=O)Oc1cc(C)ccc1C ZINC000000363049 567827153 /nfs/dbraw/zinc/82/71/53/567827153.db2.gz IJJPTRLBANLPBW-UHFFFAOYSA-N 0 0 286.327 3.540 50 0 CHAARN COc1ccc(CCCC(=O)Nc2ccccc2F)cc1 ZINC000000366330 567827385 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/nfs/dbraw/zinc/82/78/21/567827821.db2.gz JCDYOHHPBBCHGQ-UHFFFAOYSA-N 0 0 295.260 3.988 50 0 CHAARN COc1ccccc1C(=O)Oc1ccc(Cl)cc1 ZINC000000383684 567827853 /nfs/dbraw/zinc/82/78/53/567827853.db2.gz BELPBVCDOMAVAK-UHFFFAOYSA-N 0 0 262.692 3.568 50 0 CHAARN COc1cc2oc(=O)cc(-c3ccccc3)c2cc1C ZINC000000384855 567828309 /nfs/dbraw/zinc/82/83/09/567828309.db2.gz ZTWBCVGFMSMZEY-UHFFFAOYSA-N 0 0 266.296 3.777 50 0 CHAARN Cc1ccc(-c2nnc3sc(-c4cccs4)nn32)cc1 ZINC000000384933 567828390 /nfs/dbraw/zinc/82/83/90/567828390.db2.gz AAZPKDJTSHEDIM-UHFFFAOYSA-N 0 0 298.396 3.890 50 0 CHAARN Cc1ccc(NC(=O)NCc2ccccc2)c(C)c1 ZINC000000395260 567828634 /nfs/dbraw/zinc/82/86/34/567828634.db2.gz NIVTZXFKQORAFR-UHFFFAOYSA-N 0 0 254.333 3.625 50 0 CHAARN CCc1cccc(NC(=O)Nc2ccc(Cl)cn2)c1 ZINC000000398264 567828894 /nfs/dbraw/zinc/82/88/94/567828894.db2.gz DLAKZRIUAVXKBJ-UHFFFAOYSA-N 0 0 275.739 3.941 50 0 CHAARN CC(=O)Nc1ccc(NC(=O)Nc2ccc(C)cc2)cc1 ZINC000000398604 567828964 /nfs/dbraw/zinc/82/89/64/567828964.db2.gz 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Cc1cccc(NC(=O)CCC(=O)c2ccc(F)cc2)c1 ZINC000000451331 567831093 /nfs/dbraw/zinc/83/10/93/567831093.db2.gz XKDRXUUPXXPKLX-UHFFFAOYSA-N 0 0 285.318 3.736 50 0 CHAARN Cc1ccc(CNC(=O)[C@H](C)SCc2ccccc2)cc1 ZINC000000452017 567831097 /nfs/dbraw/zinc/83/10/97/567831097.db2.gz XZQOTIUVENCCFR-HNNXBMFYSA-N 0 0 299.439 3.933 50 0 CHAARN Brc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000000453420 567831105 /nfs/dbraw/zinc/83/11/05/567831105.db2.gz CHACKWAUJMUHJD-UHFFFAOYSA-N 0 0 291.104 3.759 50 0 CHAARN CCCc1cc(=O)oc2c(C)c(OC(C)C)ccc12 ZINC000000460100 567831178 /nfs/dbraw/zinc/83/11/78/567831178.db2.gz XTZSGRXUCQHFSS-UHFFFAOYSA-N 0 0 260.333 3.841 50 0 CHAARN CCCC(CCC)C(=O)Nc1cccc(C(=O)OC)c1C ZINC000000460716 567831274 /nfs/dbraw/zinc/83/12/74/567831274.db2.gz UXWGZLZOOCQADU-UHFFFAOYSA-N 0 0 291.391 3.937 50 0 CHAARN CCCC(=O)NC(=S)Nc1ccc2c3c(cccc31)CC2 ZINC000000456444 567831286 /nfs/dbraw/zinc/83/12/86/567831286.db2.gz QDCSSDFXKNGDOJ-UHFFFAOYSA-N 0 0 298.411 3.552 50 0 CHAARN CCc1nc2ccccc2n1Cc1cccc(C)c1 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/nfs/dbraw/zinc/83/44/17/567834417.db2.gz ARISNCZYQSOHKS-UHFFFAOYSA-N 0 0 266.344 3.944 50 0 CHAARN COC(=O)c1ccc(C(=O)c2c(C)cc(C)cc2C)cc1 ZINC000000616780 567834429 /nfs/dbraw/zinc/83/44/29/567834429.db2.gz GEQGZRUBMBVXOF-UHFFFAOYSA-N 0 0 282.339 3.629 50 0 CHAARN Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 ZINC000000618696 567834623 /nfs/dbraw/zinc/83/46/23/567834623.db2.gz CAUGMLBAIGHTNK-LLVKDONJSA-N 0 0 286.400 3.829 50 0 CHAARN Cc1c(F)cccc1NC(=O)NC1CCCCC1 ZINC000000620361 567834843 /nfs/dbraw/zinc/83/48/43/567834843.db2.gz HIDGMMNACUQBOZ-UHFFFAOYSA-N 0 0 250.317 3.588 50 0 CHAARN Cc1ccc(-n2cc(C=O)c(-c3ccccc3)n2)cc1 ZINC000000732131 567834782 /nfs/dbraw/zinc/83/47/82/567834782.db2.gz XWZQNZAELZZGBP-UHFFFAOYSA-N 0 0 262.312 3.660 50 0 CHAARN COc1ccc([C@H](C)NC(=O)c2ccccc2Cl)cc1 ZINC000000619067 567834832 /nfs/dbraw/zinc/83/48/32/567834832.db2.gz ZEPMGIOYRSAGCT-NSHDSACASA-N 0 0 289.762 3.840 50 0 CHAARN Nc1ccccc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000000875200 567834941 /nfs/dbraw/zinc/83/49/41/567834941.db2.gz SVLZEICXTCVBSM-UHFFFAOYSA-N 0 0 292.791 3.653 50 0 CHAARN CC(=O)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1C ZINC000000794229 567834950 /nfs/dbraw/zinc/83/49/50/567834950.db2.gz GJIFEOFGHNWOJK-UHFFFAOYSA-N 0 0 285.734 3.561 50 0 CHAARN COc1cc(/C=C/c2ccc(O)cc2)cc(OC)c1 ZINC000000899213 567834965 /nfs/dbraw/zinc/83/49/65/567834965.db2.gz VLEUZFDZJKSGMX-ONEGZZNKSA-N 0 0 256.301 3.580 50 0 biogenic,investigational CHAARN CCn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1 ZINC000001000948 567835512 /nfs/dbraw/zinc/83/55/12/567835512.db2.gz AENCYQUZMRIQDG-UHFFFAOYSA-N 0 0 298.173 3.771 50 0 CHAARN CN(C)c1ccc(NC(=O)c2ccncc2)c2ccccc21 ZINC000000912811 567835431 /nfs/dbraw/zinc/83/54/31/567835431.db2.gz JQKXNGFCVBYUAP-UHFFFAOYSA-N 0 0 291.354 3.553 50 0 CHAARN Fc1ccc(-c2cn3cc(Br)ccc3n2)cc1 ZINC000000938935 567835462 /nfs/dbraw/zinc/83/54/62/567835462.db2.gz NKIQEILZYPFNFA-UHFFFAOYSA-N 0 0 291.123 3.903 50 0 CHAARN Cc1cc(C(=O)N[C@H]2CCCc3ccccc32)cs1 ZINC000001052153 567835652 /nfs/dbraw/zinc/83/56/52/567835652.db2.gz PPXVJMFRFVDZHB-HNNXBMFYSA-N 0 0 271.385 3.864 50 0 CHAARN Cc1ccc(C(C)C)c(Oc2nnnn2-c2ccccc2)c1 ZINC000001062123 567836154 /nfs/dbraw/zinc/83/61/54/567836154.db2.gz HSFLFTOBIAVHCT-UHFFFAOYSA-N 0 0 294.358 3.886 50 0 CHAARN CCOc1ccc2ccccc2c1C(=O)NCc1ccco1 ZINC000001056424 567836211 /nfs/dbraw/zinc/83/62/11/567836211.db2.gz FHAJEYROZJNKEW-UHFFFAOYSA-N 0 0 295.338 3.762 50 0 CHAARN Cc1ccccc1C(=O)Nc1nc2ccc(F)cc2s1 ZINC000001311599 567836960 /nfs/dbraw/zinc/83/69/60/567836960.db2.gz XTVKJXPRSWPYMQ-UHFFFAOYSA-N 0 0 286.331 3.996 50 0 CHAARN CSc1nc(Cl)cc(N(C)c2ccccc2)n1 ZINC000001402778 567837171 /nfs/dbraw/zinc/83/71/71/567837171.db2.gz LCRNLHPOPGUZPR-UHFFFAOYSA-N 0 0 265.769 3.620 50 0 CHAARN Cc1ccc(C2=NNC(=O)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000001397834 567837233 /nfs/dbraw/zinc/83/72/33/567837233.db2.gz ZOFIHPIYIHANKX-HNNXBMFYSA-N 0 0 298.773 3.656 50 0 CHAARN Clc1nnc(Cc2ccccc2)c2ccccc12 ZINC000001393427 567837397 /nfs/dbraw/zinc/83/73/97/567837397.db2.gz COIJTZLLJUXFNV-UHFFFAOYSA-N 0 0 254.720 3.874 50 0 CHAARN Nc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000001579740 567838443 /nfs/dbraw/zinc/83/84/43/567838443.db2.gz GNGHRCOJLDAFAW-UHFFFAOYSA-N 0 0 281.142 3.828 50 0 CHAARN CCCCOC(=O)c1ccccc1C(=O)OCCCC ZINC000001693431 567841866 /nfs/dbraw/zinc/84/18/66/567841866.db2.gz DOIRQSBPFJWKBE-UHFFFAOYSA-N 0 0 278.348 3.600 50 0 metabolite,world CHAARN CCCCOc1ccc(/C=C/C(=O)N2CCCCC2)cc1 ZINC000001779892 567843552 /nfs/dbraw/zinc/84/35/52/567843552.db2.gz VTOMVZTWHRGNGS-FMIVXFBMSA-N 0 0 287.403 3.891 50 0 CHAARN O=C(CCCOc1ccc(Cl)cc1)N1CCCCCC1 ZINC000001773849 567843642 /nfs/dbraw/zinc/84/36/42/567843642.db2.gz OARKARSCCJXROT-UHFFFAOYSA-N 0 0 295.810 3.902 50 0 CHAARN C/C=C/c1ccc(OC(=O)Cc2ccccc2)c(OC)c1 ZINC000001851019 567843823 /nfs/dbraw/zinc/84/38/23/567843823.db2.gz YYLCMLYMJHKLEJ-XVNBXDOJSA-N 0 0 282.339 3.876 50 0 CHAARN CN[P@@](=O)(OC)Oc1ccc(C(C)(C)C)cc1Cl ZINC000002040871 567844181 /nfs/dbraw/zinc/84/41/81/567844181.db2.gz BOFHKBLZOYVHSI-GOSISDBHSA-N 0 0 291.715 3.990 50 0 in-man CHAARN CCCC[C@@H](CC)C(=O)NCc1ccccc1OC ZINC000002064681 567844260 /nfs/dbraw/zinc/84/42/60/567844260.db2.gz DGHXBLQDTBOMPC-CYBMUJFWSA-N 0 0 263.381 3.528 50 0 biogenic CHAARN CCc1cccc(NC(=O)OCCOc2ccccc2)c1 ZINC000002167656 567844926 /nfs/dbraw/zinc/84/49/26/567844926.db2.gz MLUNQHQPNJGESZ-UHFFFAOYSA-N 0 0 285.343 3.877 50 0 CHAARN CCCCNC(=O)Nc1cccc(Cl)c1Cl ZINC000002171138 567845092 /nfs/dbraw/zinc/84/50/92/567845092.db2.gz UBIRPKVXIPWHQB-UHFFFAOYSA-N 0 0 261.152 3.915 50 0 CHAARN Cc1ccc2[nH]cc(CCNC(=O)c3cccc(C)c3)c2c1 ZINC000002202581 567845224 /nfs/dbraw/zinc/84/52/24/567845224.db2.gz NMSWQBHOTOTXRE-UHFFFAOYSA-N 0 0 292.382 3.757 50 0 biogenic CHAARN CCOC(=O)CCCCCC(=O)c1cc(C)ccc1C ZINC000002378839 567845433 /nfs/dbraw/zinc/84/54/33/567845433.db2.gz LAZITRPWOFIMMI-UHFFFAOYSA-N 0 0 276.376 4.000 50 0 CHAARN CCOC(=O)CCCCCC(=O)c1cccc(C)c1 ZINC000002378881 567845552 /nfs/dbraw/zinc/84/55/52/567845552.db2.gz XDSSXIYWLOQJJH-UHFFFAOYSA-N 0 0 262.349 3.691 50 0 CHAARN CCOC(=O)CCCCCC(=O)c1ccc(C)c(C)c1 ZINC000002378857 567845629 /nfs/dbraw/zinc/84/56/29/567845629.db2.gz DEEAJPPVLPIGHM-UHFFFAOYSA-N 0 0 276.376 4.000 50 0 CHAARN O=C(Cc1ccccc1)c1cccc(Br)c1 ZINC000002392935 567845777 /nfs/dbraw/zinc/84/57/77/567845777.db2.gz YTGJKIFAZROQBQ-UHFFFAOYSA-N 0 0 275.145 3.875 50 0 CHAARN O=C(NCCCCc1ccccc1)c1cccs1 ZINC000002496857 567846033 /nfs/dbraw/zinc/84/60/33/567846033.db2.gz ADYXWQBCSLCTGH-UHFFFAOYSA-N 0 0 259.374 3.501 50 0 CHAARN CCOC(=O)CCCCCCC(=O)c1cccnc1Cl ZINC000002392708 567846070 /nfs/dbraw/zinc/84/60/70/567846070.db2.gz VUBJHCFVJRMCFS-UHFFFAOYSA-N 0 0 297.782 3.821 50 0 CHAARN Cn1c(C=O)c(-c2ccc(F)cc2)c2ccccc21 ZINC000002512935 567846358 /nfs/dbraw/zinc/84/63/58/567846358.db2.gz IKJQETNXCGTJGD-UHFFFAOYSA-N 0 0 253.276 3.797 50 0 CHAARN Cc1ccc(C(=O)c2ccc(CN3CCC3)cc2)cc1C ZINC000002514624 567846387 /nfs/dbraw/zinc/84/63/87/567846387.db2.gz UIUKFSBAKYEOEZ-UHFFFAOYSA-N 0 0 279.383 3.740 50 0 CHAARN O=C(c1cccc(CN2CCC2)c1)c1ccccc1Cl ZINC000002515130 567846568 /nfs/dbraw/zinc/84/65/68/567846568.db2.gz CMNRUGXEHMGPFX-UHFFFAOYSA-N 0 0 285.774 3.777 50 0 CHAARN Cc1ccc(C(=O)c2ccccc2CN2CC=CC2)cc1C ZINC000002515896 567846557 /nfs/dbraw/zinc/84/65/57/567846557.db2.gz FEUYWJAORCEASJ-UHFFFAOYSA-N 0 0 291.394 3.906 50 0 CHAARN Cc1ccccc1C(=O)c1cccc(CN2CC=CC2)c1 ZINC000002515377 567846592 /nfs/dbraw/zinc/84/65/92/567846592.db2.gz HNEZFDOTDOLPDG-UHFFFAOYSA-N 0 0 277.367 3.598 50 0 CHAARN COc1ccccc1CCC(=O)c1ccccc1OC ZINC000002516444 567846813 /nfs/dbraw/zinc/84/68/13/567846813.db2.gz XFILYPFYHNSXGT-UHFFFAOYSA-N 0 0 270.328 3.519 50 0 CHAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)c1n[nH]c(=S)n1C ZINC000002522207 567847555 /nfs/dbraw/zinc/84/75/55/567847555.db2.gz JGNUIOGFUDACOT-JTQLQIEISA-N 0 0 291.420 3.915 50 0 CHAARN Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000002550025 567847999 /nfs/dbraw/zinc/84/79/99/567847999.db2.gz BIVQEHDNRFPDON-UHFFFAOYSA-N 0 0 280.249 3.540 50 0 CHAARN COc1ccccc1C(=O)c1ccc(F)c(Cl)c1 ZINC000002574616 567848487 /nfs/dbraw/zinc/84/84/87/567848487.db2.gz CRBNENCUVQBEIK-UHFFFAOYSA-N 0 0 264.683 3.719 50 0 CHAARN CCOC(=O)CCCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002580373 567848507 /nfs/dbraw/zinc/84/85/07/567848507.db2.gz OSFBPASCHJVYJC-UHFFFAOYSA-N 0 0 276.376 3.900 50 0 CHAARN Oc1ccc(-c2ccc(I)cc2)cc1 ZINC000002579046 567848571 /nfs/dbraw/zinc/84/85/71/567848571.db2.gz WJXIAMCDWSUSEI-UHFFFAOYSA-N 0 0 296.107 3.664 50 0 CHAARN O=C(c1ccc(F)cc1)c1ccccc1Br ZINC000002567542 567848580 /nfs/dbraw/zinc/84/85/80/567848580.db2.gz DIDPRFGMOLQJTB-UHFFFAOYSA-N 0 0 279.108 3.819 50 0 CHAARN O=C(Nc1ccc(Cl)cc1F)c1ccccc1F ZINC000002650798 567848739 /nfs/dbraw/zinc/84/87/39/567848739.db2.gz WVEKJKMSVIRUCF-UHFFFAOYSA-N 0 0 267.662 3.871 50 0 CHAARN Cc1ccc(-c2nnn3c2nc(Cl)c2ccccc23)cc1 ZINC000002694111 567848884 /nfs/dbraw/zinc/84/88/84/567848884.db2.gz IXWIAMCLVVGXLI-UHFFFAOYSA-N 0 0 294.745 3.906 50 0 CHAARN CCOc1ccc(C(=O)NC2CCCCCCC2)cc1 ZINC000002734196 567848965 /nfs/dbraw/zinc/84/89/65/567848965.db2.gz SNBGWBQTELOILB-UHFFFAOYSA-N 0 0 275.392 3.928 50 0 CHAARN COc1ccc(OC)c(NC(=O)C[C@@H](C)c2ccccc2)c1 ZINC000002739679 567849073 /nfs/dbraw/zinc/84/90/73/567849073.db2.gz DVQLLJLUPWHJLF-CYBMUJFWSA-N 0 0 299.370 3.836 50 0 CHAARN COC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000002764721 567849272 /nfs/dbraw/zinc/84/92/72/567849272.db2.gz GUYNXRMVGOLOQV-UHFFFAOYSA-N 0 0 269.325 3.750 50 0 CHAARN Cc1cc2c(ncnc2NCCc2ccccc2)s1 ZINC000002877118 567849715 /nfs/dbraw/zinc/84/97/15/567849715.db2.gz FNHYYGATEFFJMM-UHFFFAOYSA-N 0 0 269.373 3.654 50 0 CHAARN CSc1ccccc1C(=O)Nc1c(F)cccc1F ZINC000002875407 567849978 /nfs/dbraw/zinc/84/99/78/567849978.db2.gz GSILCAZABVYWDT-UHFFFAOYSA-N 0 0 279.311 3.939 50 0 CHAARN Cc1cc2occ(CC(=O)N3CCCCCC3)c2c(C)c1 ZINC000002883683 567850394 /nfs/dbraw/zinc/85/03/94/567850394.db2.gz VFFMMIGNYVMBFT-UHFFFAOYSA-N 0 0 285.387 3.995 50 0 CHAARN Cc1c(OC(C)C)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002967354 567850530 /nfs/dbraw/zinc/85/05/30/567850530.db2.gz AEEHEWFDFBSWOY-UHFFFAOYSA-N 0 0 272.344 3.767 50 0 CHAARN CC(C)CCC[C@H](C)NC(=O)C(Cl)(Cl)Cl ZINC000002988929 567850912 /nfs/dbraw/zinc/85/09/12/567850912.db2.gz CRLLHQHHLKHLLL-QMMMGPOBSA-N 0 0 274.619 3.688 50 0 CHAARN Cc1ccccc1OCc1noc(-c2cccc(F)c2)n1 ZINC000034906984 567852384 /nfs/dbraw/zinc/85/23/84/567852384.db2.gz KXKLSFQMISQTCP-UHFFFAOYSA-N 0 0 284.290 3.763 50 0 CHAARN CC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 ZINC000003515435 567852878 /nfs/dbraw/zinc/85/28/78/567852878.db2.gz XPXICUHHVOFFKV-AWEZNQCLSA-N 0 0 297.354 3.604 50 0 CHAARN CSc1ccccc1C(=O)N1CCc2ccccc21 ZINC000003561117 567853137 /nfs/dbraw/zinc/85/31/37/567853137.db2.gz QDEFKRMQTKUWQV-UHFFFAOYSA-N 0 0 269.369 3.611 50 0 CHAARN Cc1ccc(CC(=O)Nc2ccc(F)cc2F)cc1C ZINC000003561538 567853197 /nfs/dbraw/zinc/85/31/97/567853197.db2.gz RJKFDGJHHNECGK-UHFFFAOYSA-N 0 0 275.298 3.763 50 0 CHAARN C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C)O ZINC000003814420 567853588 /nfs/dbraw/zinc/85/35/88/567853588.db2.gz CCCIJQPRIXGQOE-XWSJACJDSA-N 0 0 284.399 3.719 50 0 in-man CHAARN C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000003881426 567854317 /nfs/dbraw/zinc/85/43/17/567854317.db2.gz DNXHEGUUPJUMQT-DFGXFYAUSA-N 0 0 270.372 3.817 50 0 in-man CHAARN Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@H](c1ccco1)N2 ZINC000003905471 567854412 /nfs/dbraw/zinc/85/44/12/567854412.db2.gz JRMFPRLCQZRNAX-IUIKQTSFSA-N 0 0 255.317 3.832 50 0 biogenic CHAARN CN(C)C(=O)NC1CCCCCCCCCCC1 ZINC000003957225 567854492 /nfs/dbraw/zinc/85/44/92/567854492.db2.gz BZJNPVSQQOQVRV-UHFFFAOYSA-N 0 0 254.418 3.931 50 0 CHAARN CCOc1ccc(C(=O)NCCCCc2ccccc2)cc1 ZINC000004019519 567854497 /nfs/dbraw/zinc/85/44/97/567854497.db2.gz JEAKELXOSGZBAD-UHFFFAOYSA-N 0 0 297.398 3.838 50 0 CHAARN CCc1ccc(NC(=O)c2noc3c2CCCCC3)cc1 ZINC000003909308 567854651 /nfs/dbraw/zinc/85/46/51/567854651.db2.gz CTDSBEMGTBNHDJ-UHFFFAOYSA-N 0 0 284.359 3.758 50 0 aggregator CHAARN CC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000004006633 567854785 /nfs/dbraw/zinc/85/47/85/567854785.db2.gz QUXPFBZULIGLQK-UHFFFAOYSA-N 0 0 276.405 3.569 50 0 CHAARN O=c1oc(/C=C/c2ccco2)nc2sc3c(c21)CCCC3 ZINC000004134860 567855552 /nfs/dbraw/zinc/85/55/52/567855552.db2.gz BJIISPHPCMICRX-BQYQJAHWSA-N 0 0 299.351 3.892 50 0 CHAARN Cc1cccc(NCc2ccc(Br)cc2)n1 ZINC000004205167 567855782 /nfs/dbraw/zinc/85/57/82/567855782.db2.gz KFIUYAVUTYNPAR-UHFFFAOYSA-N 0 0 277.165 3.765 50 0 CHAARN C[C@@H]1CCCN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)C1 ZINC000004185401 567855856 /nfs/dbraw/zinc/85/58/56/567855856.db2.gz UIMQZAVFCDNWAF-SCVCMEIPSA-N 0 0 290.234 3.836 50 0 CHAARN CCOc1ccc(NC[C@H]2CCOC(C)(C)C2)cc1 ZINC000004296032 567856601 /nfs/dbraw/zinc/85/66/01/567856601.db2.gz QGTKEDSQUDRCEG-ZDUSSCGKSA-N 0 0 263.381 3.702 50 0 CHAARN F[C@@H](C(F)(F)F)C(F)(F)OC(Cl)(Cl)Cl ZINC000004266063 567856761 /nfs/dbraw/zinc/85/67/61/567856761.db2.gz CPUOWSYOQOXXNZ-SFOWXEAESA-N 0 0 285.398 3.824 50 0 CHAARN Cc1cccc(C)c1NC(=O)c1cnccc1C(F)(F)F ZINC000004382941 567857341 /nfs/dbraw/zinc/85/73/41/567857341.db2.gz PFMZSBVAOYAIRC-UHFFFAOYSA-N 0 0 294.276 3.970 50 0 CHAARN C[C@@H]1C[C@@H](C)CN(C(=O)/C=C/c2ccccc2Cl)C1 ZINC000004524413 567857632 /nfs/dbraw/zinc/85/76/32/567857632.db2.gz FGHSJDKLSWBRLF-WUOSCTTQSA-N 0 0 277.795 3.858 50 0 CHAARN Cc1ccccc1OCCCn1c2ccccc2sc1=O ZINC000004503893 567857889 /nfs/dbraw/zinc/85/78/89/567857889.db2.gz VDMDAIAKZNLKEY-UHFFFAOYSA-N 0 0 299.395 3.841 50 0 CHAARN CC(=O)O[C@H]1c2ccccc2-c2ccccc2[C@@H]1OC(C)=O ZINC000004667592 567858776 /nfs/dbraw/zinc/85/87/76/567858776.db2.gz AFGAFKSFAIFLNO-ROUUACIJSA-N 0 0 296.322 3.576 50 0 CHAARN Cc1cc2nc(NC(=O)c3ccco3)sc2c(C)c1 ZINC000002723986 567859989 /nfs/dbraw/zinc/85/99/89/567859989.db2.gz ZAMLYKSWKRIGAY-UHFFFAOYSA-N 0 0 272.329 3.758 50 0 CHAARN CCOC(=O)c1c(C)[nH]cc1Cc1cccc(Cl)c1 ZINC000002707143 567860140 /nfs/dbraw/zinc/86/01/40/567860140.db2.gz YWKUHQWROJZBHT-UHFFFAOYSA-N 0 0 277.751 3.744 50 0 CHAARN COc1ccc([C@@H]2C[C@@H](C(F)F)n3nc(C)cc3N2)cc1 ZINC000002783434 567860326 /nfs/dbraw/zinc/86/03/26/567860326.db2.gz HAECUXMMOOWBFU-STQMWFEESA-N 0 0 293.317 3.563 50 0 CHAARN O=C(/C=C/c1ccc(F)cc1)NC1CCCCCC1 ZINC000002737733 567860368 /nfs/dbraw/zinc/86/03/68/567860368.db2.gz FAZIDNXOAMEPNT-FMIVXFBMSA-N 0 0 261.340 3.678 50 0 CHAARN Cc1cc(C)nc(NC(=O)N(C)[C@@H](C)c2ccco2)c1 ZINC000097378662 567860378 /nfs/dbraw/zinc/86/03/78/567860378.db2.gz WZHUUPZOODFZPA-LBPRGKRZSA-N 0 0 273.336 3.516 50 0 CHAARN Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000002764563 567860523 /nfs/dbraw/zinc/86/05/23/567860523.db2.gz MGBSIWLJAHVNTM-JKSUJKDBSA-N 0 0 297.398 3.948 50 0 CHAARN Cc1ccc(CONC(=O)c2ccccc2Cl)cc1 ZINC000002793137 567860720 /nfs/dbraw/zinc/86/07/20/567860720.db2.gz GHLYSBDSFLJLJL-UHFFFAOYSA-N 0 0 275.735 3.510 50 0 CHAARN COc1ccccc1CNc1ncnc2ccc(C)cc21 ZINC000032540841 567860877 /nfs/dbraw/zinc/86/08/77/567860877.db2.gz RODXLUKFJYGUPM-UHFFFAOYSA-N 0 0 279.343 3.559 50 0 CHAARN Cc1ccc(CCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000010357195 567861266 /nfs/dbraw/zinc/86/12/66/567861266.db2.gz YOFQWTVMCGQCKX-UHFFFAOYSA-N 0 0 275.298 3.845 50 0 CHAARN Cc1ccccc1C(=O)Nc1nc2c(cccc2F)s1 ZINC000004325457 567861340 /nfs/dbraw/zinc/86/13/40/567861340.db2.gz YUISSDMBIDHCHA-UHFFFAOYSA-N 0 0 286.331 3.996 50 0 CHAARN CCCC(=O)Nc1nc2c(cc(Cl)cc2C)s1 ZINC000004331372 567862025 /nfs/dbraw/zinc/86/20/25/567862025.db2.gz ZOIYDSWUIMTXPS-UHFFFAOYSA-N 0 0 268.769 3.997 50 0 CHAARN CC(C)Oc1ccc(NC(=O)Cc2cccc(F)c2)cc1 ZINC000012137907 567862113 /nfs/dbraw/zinc/86/21/13/567862113.db2.gz UMRIYNUHUWKOGK-UHFFFAOYSA-N 0 0 287.334 3.794 50 0 CHAARN CN(C(=O)C1=Cc2ccccc2OC=C1)c1ccccc1 ZINC000012274533 567862508 /nfs/dbraw/zinc/86/25/08/567862508.db2.gz VHKDJWSFRYLYIR-UHFFFAOYSA-N 0 0 277.323 3.639 50 0 CHAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nccc3N2)s1 ZINC000012357592 567862638 /nfs/dbraw/zinc/86/26/38/567862638.db2.gz XVDUXCIJVMKPGD-PSASIEDQSA-N 0 0 287.310 3.913 50 0 CHAARN 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O=C(c1ccc(C2OCCO2)s1)c1ccccc1Cl ZINC000043210402 567892282 /nfs/dbraw/zinc/89/22/82/567892282.db2.gz LFTJGFWKLOUGSF-UHFFFAOYSA-N 0 0 294.759 3.678 50 0 CHAARN CCOC(=O)CCCC(=O)c1ccc(SCC)cc1 ZINC000043214423 567892360 /nfs/dbraw/zinc/89/23/60/567892360.db2.gz OEAIBKTVDNPABK-UHFFFAOYSA-N 0 0 280.389 3.715 50 0 CHAARN Cc1ccc(S(=O)(=O)Nc2ccccc2C2CC2)cc1 ZINC000004594737 567892375 /nfs/dbraw/zinc/89/23/75/567892375.db2.gz OWIXXUIBZRHGLI-UHFFFAOYSA-N 0 0 287.384 3.673 50 0 CHAARN O=C1NC(=S)S[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000048523360 567892638 /nfs/dbraw/zinc/89/26/38/567892638.db2.gz RXTMYPBZUAZHEV-KGLIPLIRSA-N 0 0 299.420 3.659 50 0 CHAARN O=C(NCc1ccccc1)Nc1ccc(Cl)cc1F ZINC000048470281 567892664 /nfs/dbraw/zinc/89/26/64/567892664.db2.gz ICDQZQDDTMMRDP-UHFFFAOYSA-N 0 0 278.714 3.801 50 0 CHAARN CC(C)(C(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000048420780 567892893 /nfs/dbraw/zinc/89/28/93/567892893.db2.gz GVURTJVCKFRXJL-UHFFFAOYSA-N 0 0 275.298 3.881 50 0 CHAARN O=C1Nc2cc(Cl)ccc2/C1=C/c1cccc(O)c1 ZINC000013591822 567892901 /nfs/dbraw/zinc/89/29/01/567892901.db2.gz OFAYMVYHZLLXRW-QPEQYQDCSA-N 0 0 271.703 3.538 50 0 CHAARN CCCCOCCNc1cccc(Br)c1 ZINC000049261941 567893186 /nfs/dbraw/zinc/89/31/86/567893186.db2.gz ZGWNBYQDKMFESH-UHFFFAOYSA-N 0 0 272.186 3.678 50 0 CHAARN CCCCOCCNc1ccccc1Br ZINC000049261937 567893240 /nfs/dbraw/zinc/89/32/40/567893240.db2.gz YQIVNEWPPXHUTA-UHFFFAOYSA-N 0 0 272.186 3.678 50 0 CHAARN Cc1cc(O)ccc1NC(=O)[C@H]1SCCc2ccccc21 ZINC000095431726 567893752 /nfs/dbraw/zinc/89/37/52/567893752.db2.gz RVGYSMZOSQJOOY-INIZCTEOSA-N 0 0 299.395 3.670 50 0 CHAARN COc1ccc2cc(CNC(=O)c3ccoc3C)ccc2c1 ZINC000011125435 567893795 /nfs/dbraw/zinc/89/37/95/567893795.db2.gz ODHFYUIXYCMZSL-UHFFFAOYSA-N 0 0 295.338 3.680 50 0 CHAARN CCOC(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000052232638 567894084 /nfs/dbraw/zinc/89/40/84/567894084.db2.gz HLCRPNOXAKFYQG-UHFFFAOYSA-N 0 0 269.074 3.648 50 0 CHAARN CCCCN(Cc1ccsc1)C(=O)[C@H](C)OC(C)C ZINC000055226966 567894258 /nfs/dbraw/zinc/89/42/58/567894258.db2.gz KODJFAXTPXUXCE-ZDUSSCGKSA-N 0 0 283.437 3.690 50 0 CHAARN CC(=O)Oc1c(C)cc(-c2nc3ccccc3[nH]2)cc1C ZINC000055414979 567894407 /nfs/dbraw/zinc/89/44/07/567894407.db2.gz JODNAKRQXKLHRY-UHFFFAOYSA-N 0 0 280.327 3.772 50 0 CHAARN CSc1ccc(C)c(C(=O)N2CCCCCC2)c1 ZINC000058086748 567895530 /nfs/dbraw/zinc/89/55/30/567895530.db2.gz JXRKFLXCAGOWPA-UHFFFAOYSA-N 0 0 263.406 3.733 50 0 CHAARN Cc1cc(C)n(-c2ccnc(SCc3ccccc3)n2)n1 ZINC000058158991 567895572 /nfs/dbraw/zinc/89/55/72/567895572.db2.gz YFZQKZHXCTWBJC-UHFFFAOYSA-N 0 0 296.399 3.571 50 0 CHAARN C[C@@H]1c2cccn2CCN1Cc1cccc(Cl)c1 ZINC000057992371 567895620 /nfs/dbraw/zinc/89/56/20/567895620.db2.gz GYIYFQWIHPPQGI-GFCCVEGCSA-N 0 0 260.768 3.718 50 0 CHAARN Cc1ccc([C@H](C)N(C)c2cc(Cl)nc(N)n2)c(C)c1 ZINC000058434644 567895823 /nfs/dbraw/zinc/89/58/23/567895823.db2.gz FWPUMYVLNFRCKI-NSHDSACASA-N 0 0 290.798 3.526 50 0 CHAARN C[C@@]1(NC(=O)NCC2CCCC2)CCCc2ccccc21 ZINC000058265717 567895840 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OXXRMKKAGJYBBX-UHFFFAOYSA-N 0 0 283.356 3.679 50 0 CHAARN CC(C)c1csc(C(=O)N(C)C2CCC(C)CC2)n1 ZINC000063474941 567929809 /nfs/dbraw/zinc/92/98/09/567929809.db2.gz INTYJTPVBOGQNE-UHFFFAOYSA-N 0 0 280.437 3.917 50 0 CHAARN CC(C)C(=O)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000000418054 567930292 /nfs/dbraw/zinc/93/02/92/567930292.db2.gz JTBVXVIWBDAPJT-UHFFFAOYSA-N 0 0 272.373 3.503 50 0 CHAARN Cc1cccc(N2C(=O)CS[C@@H]2c2cccc(F)c2)c1 ZINC000000423854 567930396 /nfs/dbraw/zinc/93/03/96/567930396.db2.gz RVPPQFJSPDFWJL-MRXNPFEDSA-N 0 0 287.359 3.913 50 0 CHAARN O=C1CS[C@@H](c2ccccc2)N1c1ccccc1F ZINC000000424034 567930495 /nfs/dbraw/zinc/93/04/95/567930495.db2.gz RTPFYTYWAQPLDH-HNNXBMFYSA-N 0 0 273.332 3.604 50 0 CHAARN CC[C@H](C)NC(=O)c1cc2cc3cc(OC)ccc3nc2o1 ZINC000000429093 567930548 /nfs/dbraw/zinc/93/05/48/567930548.db2.gz WTVPYWLISICORX-JTQLQIEISA-N 0 0 298.342 3.518 50 0 CHAARN Cc1ccc(/C=C2\N=C(C3CCCCC3)OC2=O)cc1 ZINC000000430513 567930688 /nfs/dbraw/zinc/93/06/88/567930688.db2.gz DWVNSQMFCDFALG-PTNGSMBKSA-N 0 0 269.344 3.872 50 0 CHAARN c1c(CSc2nc3ccccc3s2)nc2ncccn12 ZINC000000439823 567930849 /nfs/dbraw/zinc/93/08/49/567930849.db2.gz SFRNMLHQAOLMJW-UHFFFAOYSA-N 0 0 298.396 3.631 50 0 CHAARN Clc1ccc(Cn2nnc3ccccc32)c(Cl)c1 ZINC000000450466 567931052 /nfs/dbraw/zinc/93/10/52/567931052.db2.gz IXURHHYNICUFTP-UHFFFAOYSA-N 0 0 278.142 3.786 50 0 CHAARN C[C@@H](CNC(=O)CCC1CCCC1)c1ccccc1 ZINC000046633563 567931877 /nfs/dbraw/zinc/93/18/77/567931877.db2.gz RQGXQTXPLLQTOF-AWEZNQCLSA-N 0 0 259.393 3.877 50 0 CHAARN CC(C)(C)[C@@H]1CCc2[nH]c(=S)nc(C(F)(F)F)c2C1 ZINC000002463904 567931970 /nfs/dbraw/zinc/93/19/70/567931970.db2.gz CIUFEISBXQCYMX-SSDOTTSWSA-N 0 0 290.354 3.935 50 0 CHAARN O=C(Nc1cccc2c3ccccc3[nH]c21)C(F)(F)F ZINC000002054119 567932143 /nfs/dbraw/zinc/93/21/43/567932143.db2.gz ZZVSTWVVMYTUJI-UHFFFAOYSA-N 0 0 278.233 3.822 50 0 CHAARN O=C(c1ccco1)N(C(=O)N1CCCCC1)c1ccccc1 ZINC000001651722 567932205 /nfs/dbraw/zinc/93/22/05/567932205.db2.gz FUOJVSYVIQYHJP-UHFFFAOYSA-N 0 0 298.342 3.532 50 0 CHAARN O=C(Cc1ccccc1Cl)Nc1ccccc1F ZINC000005578049 567932807 /nfs/dbraw/zinc/93/28/07/567932807.db2.gz ZPVBWDIMFBJIGO-UHFFFAOYSA-N 0 0 263.699 3.660 50 0 CHAARN COCCCCC(=O)N1CCCC2(CCCCC2)CC1 ZINC000188584612 567933113 /nfs/dbraw/zinc/93/31/13/567933113.db2.gz LHGCETCKHVUWID-UHFFFAOYSA-N 0 0 281.440 3.766 50 0 CHAARN C[C@@H](NC(=O)NCc1cc2cc(F)ccc2s1)C1CC1 ZINC000062641976 567933217 /nfs/dbraw/zinc/93/32/17/567933217.db2.gz FBRBVSZARZTVFX-SECBINFHSA-N 0 0 292.379 3.638 50 0 CHAARN Clc1cccc(Cl)c1Cc1noc([C@H]2CCCO2)n1 ZINC000273806246 567933490 /nfs/dbraw/zinc/93/34/90/567933490.db2.gz TYWDKFJTMNKJNB-LLVKDONJSA-N 0 0 299.157 3.819 50 0 CHAARN CCC1(c2nc(-c3ccccc3NC(C)=O)no2)CCCC1 ZINC000273747301 567933680 /nfs/dbraw/zinc/93/36/80/567933680.db2.gz UQHRADXNODNJGV-UHFFFAOYSA-N 0 0 299.374 3.917 50 0 CHAARN O=C(CCCN1Cc2ccccc2C1)c1ccc(F)cc1 ZINC000000177730 567935341 /nfs/dbraw/zinc/93/53/41/567935341.db2.gz KBAKFQWFCALQPM-UHFFFAOYSA-N 0 0 283.346 3.804 50 0 CHAARN CCc1cccc(C)c1NC(=O)c1ccc(OC)cc1 ZINC000000101591 567935379 /nfs/dbraw/zinc/93/53/79/567935379.db2.gz WWAWASLYXVILAN-UHFFFAOYSA-N 0 0 269.344 3.818 50 0 biogenic CHAARN O=C(Nc1cccc2c1CCCC2)c1ccc(F)cc1 ZINC000000299364 567935936 /nfs/dbraw/zinc/93/59/36/567935936.db2.gz MOHMUSMBKMRYBB-UHFFFAOYSA-N 0 0 269.319 3.957 50 0 CHAARN C[C@@H](CCc1ccccc1)NC(=O)NC1CCCCC1 ZINC000000409022 567936273 /nfs/dbraw/zinc/93/62/73/567936273.db2.gz IJSQZAHVOVLYRG-AWEZNQCLSA-N 0 0 274.408 3.640 50 0 CHAARN CCN(CC)c1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000000568405 567936461 /nfs/dbraw/zinc/93/64/61/567936461.db2.gz OVTMVESATRNPGH-UHFFFAOYSA-N 0 0 272.348 3.687 50 0 CHAARN Cc1nnc2c(Oc3ccc(C)cc3)nc3ccccc3n12 ZINC000000477751 567936795 /nfs/dbraw/zinc/93/67/95/567936795.db2.gz DQAGPXQHBAXESW-UHFFFAOYSA-N 0 0 290.326 3.687 50 0 CHAARN CON(C)C(=O)c1oc2c(ccc3ccccc23)c1C ZINC000017792991 567937206 /nfs/dbraw/zinc/93/72/06/567937206.db2.gz VKWBHIQWUCLARX-UHFFFAOYSA-N 0 0 269.300 3.528 50 0 CHAARN Fc1ccc(Br)cc1OCC(F)(F)F ZINC000160495503 567937483 /nfs/dbraw/zinc/93/74/83/567937483.db2.gz HUZLHZJQRDBKSM-UHFFFAOYSA-N 0 0 273.023 3.529 50 0 CHAARN Cc1c(N[C@H](C)c2ccccn2)cnn1-c1ccccc1 ZINC000181233434 567938159 /nfs/dbraw/zinc/93/81/59/567938159.db2.gz OZSLXTHUFOPYQY-CYBMUJFWSA-N 0 0 278.359 3.749 50 0 CHAARN COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000000485775 567939062 /nfs/dbraw/zinc/93/90/62/567939062.db2.gz ZZXFRUSCRFOHKW-UHFFFAOYSA-N 0 0 280.323 3.701 50 0 CHAARN CCN(C)c1ccccc1NC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000098014261 567939127 /nfs/dbraw/zinc/93/91/27/567939127.db2.gz DVDDQWASMGSTHG-GASCZTMLSA-N 0 0 299.418 3.573 50 0 CHAARN Cc1oc2ccc(O)cc2c1[C@H](O)c1ccccc1 ZINC000000485470 567939164 /nfs/dbraw/zinc/93/91/64/567939164.db2.gz ZOLVCWFRMNNUJZ-MRXNPFEDSA-N 0 0 254.285 3.529 50 0 biogenic CHAARN FC(F)(F)Oc1ccc(Br)c2cc[nH]c21 ZINC000169725920 567939538 /nfs/dbraw/zinc/93/95/38/567939538.db2.gz HXKVPJLAHMJNHM-UHFFFAOYSA-N 0 0 280.043 3.829 50 0 CHAARN CCOc1nc(C)ccc1-c1noc(-c2ccccc2C)n1 ZINC000000498697 567940032 /nfs/dbraw/zinc/94/00/32/567940032.db2.gz HNYFJVZFCYKWAO-UHFFFAOYSA-N 0 0 295.342 3.814 50 0 CHAARN C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccccc1 ZINC000012380893 567940062 /nfs/dbraw/zinc/94/00/62/567940062.db2.gz PGKHRNMRMGKOHG-LLVKDONJSA-N 0 0 297.383 3.682 50 0 CHAARN Clc1ccc(Cl)c(-c2nc3ccccc3[nH]2)n1 ZINC000018191845 567940458 /nfs/dbraw/zinc/94/04/58/567940458.db2.gz SPTOENWMVZTMGQ-UHFFFAOYSA-N 0 0 264.115 3.932 50 0 CHAARN O=C(NCCOc1ccccc1)Nc1ccc(Cl)cc1 ZINC000018177121 567940491 /nfs/dbraw/zinc/94/04/91/567940491.db2.gz UIIUDKILIRHBGX-UHFFFAOYSA-N 0 0 290.750 3.541 50 0 CHAARN Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=O)CC(C)(C)C2 ZINC000018195129 567940550 /nfs/dbraw/zinc/94/05/50/567940550.db2.gz MMHAJGGDZFNXHO-UHFFFAOYSA-N 0 0 282.387 3.953 50 0 CHAARN Cc1cccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000018173623 567940619 /nfs/dbraw/zinc/94/06/19/567940619.db2.gz RYXJLNZUQVEXSV-LLVKDONJSA-N 0 0 286.297 3.801 50 0 CHAARN CCOC(=O)c1ccc(-c2ccc(Br)cc2)o1 ZINC000000501565 567940703 /nfs/dbraw/zinc/94/07/03/567940703.db2.gz PRFXBTFBBAZVRC-UHFFFAOYSA-N 0 0 295.132 3.886 50 0 CHAARN CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000012971366 567940941 /nfs/dbraw/zinc/94/09/41/567940941.db2.gz ARBGHIXYDPMYTK-UHFFFAOYSA-N 0 0 296.370 3.924 50 0 CHAARN O=C(COc1ccc(F)cc1F)Nc1cccc(Cl)c1 ZINC000013325706 567941275 /nfs/dbraw/zinc/94/12/75/567941275.db2.gz IOWPHWJIHGFAPV-UHFFFAOYSA-N 0 0 297.688 3.636 50 0 CHAARN CCOc1ccc([C@@H](C)NC(=O)c2cccs2)cc1 ZINC000013329300 567941308 /nfs/dbraw/zinc/94/13/08/567941308.db2.gz GRUZSQGZTRTCEQ-LLVKDONJSA-N 0 0 275.373 3.638 50 0 CHAARN CC1=C[C@H](C)[C@@]2(CO)CO[C@H](c3ccccc3)[C@@H]1[C@@H]2C ZINC000000519334 567942056 /nfs/dbraw/zinc/94/20/56/567942056.db2.gz PLYQNNOXZOYWGG-GCDKYVQMSA-N 0 0 272.388 3.585 50 0 biogenic CHAARN CC(C)CC[C@@H](CC(=O)NCc1cccnc1)C(C)C ZINC000013689106 567942181 /nfs/dbraw/zinc/94/21/81/567942181.db2.gz CLPVSONTOFXLHY-INIZCTEOSA-N 0 0 276.424 3.796 50 0 CHAARN CCCn1nc(NC(=O)C(C)C)c2cc3ccccc3nc21 ZINC000000524732 567942407 /nfs/dbraw/zinc/94/24/07/567942407.db2.gz OMIRNFBWVJQUQA-UHFFFAOYSA-N 0 0 296.374 3.589 50 0 CHAARN CN(C(=O)CC(F)(F)F)[C@H](c1ccccc1)C(F)(F)F ZINC000103050064 567942453 /nfs/dbraw/zinc/94/24/53/567942453.db2.gz VDYTWDQVPYKHGD-SNVBAGLBSA-N 0 0 299.214 3.701 50 0 CHAARN C[C@H](NC(=O)c1cccc(Cl)c1)c1nc2ccccc2[nH]1 ZINC000000535973 567942765 /nfs/dbraw/zinc/94/27/65/567942765.db2.gz OGFSYHVSOUTFKT-JTQLQIEISA-N 0 0 299.761 3.707 50 0 CHAARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCCCC1 ZINC000014397346 567942817 /nfs/dbraw/zinc/94/28/17/567942817.db2.gz VSVAFWRDQWRZAW-CQSZACIVSA-N 0 0 289.419 3.764 50 0 CHAARN CC(=O)c1c(OC(=O)c2ccccc2)c2ccccc2n1C ZINC000000546512 567942945 /nfs/dbraw/zinc/94/29/45/567942945.db2.gz HUBDNFYBFGRRNU-UHFFFAOYSA-N 0 0 293.322 3.600 50 0 CHAARN Cc1cc(COC(=O)c2occc2-c2ccccc2)on1 ZINC000024509512 567942996 /nfs/dbraw/zinc/94/29/96/567942996.db2.gz NNVDTXBGMRMATF-UHFFFAOYSA-N 0 0 283.283 3.600 50 0 CHAARN O=C(C[C@H](c1ccco1)c1ccc(F)cc1)N1CCCC1 ZINC000000551124 567943025 /nfs/dbraw/zinc/94/30/25/567943025.db2.gz QKRWAYNFRANIMC-HNNXBMFYSA-N 0 0 287.334 3.563 50 0 CHAARN COc1ccc(OC)c(NC(=O)c2ccc(C)cc2C)c1 ZINC000000557931 567943253 /nfs/dbraw/zinc/94/32/53/567943253.db2.gz BPBHQKFXPIXMBM-UHFFFAOYSA-N 0 0 285.343 3.573 50 0 CHAARN Cc1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1O ZINC000159102681 567943781 /nfs/dbraw/zinc/94/37/81/567943781.db2.gz SJZOLDCOZZDFCX-UHFFFAOYSA-N 0 0 298.317 3.502 50 0 CHAARN O=C(Nc1cccc2c1CCCC2)c1cccc(O)c1 ZINC000019838314 567944778 /nfs/dbraw/zinc/94/47/78/567944778.db2.gz RDTSIDDPBLKMSY-UHFFFAOYSA-N 0 0 267.328 3.523 50 0 CHAARN COc1cccc2cc([C@@H](C)NCc3ccccn3)oc21 ZINC000020091773 567945345 /nfs/dbraw/zinc/94/53/45/567945345.db2.gz UKERCNWJNKVQEA-GFCCVEGCSA-N 0 0 282.343 3.687 50 0 CHAARN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)s1 ZINC000002772736 567945554 /nfs/dbraw/zinc/94/55/54/567945554.db2.gz LEAZLIUXPJECNZ-RKDXNWHRSA-N 0 0 257.786 3.710 50 0 CHAARN Fc1ccc(-c2nc3c[nH]n(Cc4cccs4)c-3n2)cc1 ZINC000048501586 567946539 /nfs/dbraw/zinc/94/65/39/567946539.db2.gz MKGMPDYIGBGOGL-UHFFFAOYSA-N 0 0 298.346 3.675 50 0 CHAARN COc1cccc(-c2nc3cc(Cl)ccc3n2C)c1 ZINC000048526458 567946557 /nfs/dbraw/zinc/94/65/57/567946557.db2.gz JODCJQVCWVCCBK-UHFFFAOYSA-N 0 0 272.735 3.902 50 0 CHAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)Nc1ccncc1 ZINC000048954678 567946619 /nfs/dbraw/zinc/94/66/19/567946619.db2.gz KNZZOKKKYNSMSB-BPLDGKMQSA-N 0 0 275.396 3.664 50 0 CHAARN CN(Cc1cccnc1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000049945199 567946776 /nfs/dbraw/zinc/94/67/76/567946776.db2.gz BUBKOTUDRIKEHR-UHFFFAOYSA-N 0 0 282.387 3.651 50 0 CHAARN C[C@H]1C[C@@H]1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000049497016 567946844 /nfs/dbraw/zinc/94/68/44/567946844.db2.gz DYXUCFBSRUIVBS-KWQFWETISA-N 0 0 272.373 3.768 50 0 CHAARN Cc1cc(CNc2ccc(C(F)(F)F)cc2)no1 ZINC000049754984 567946859 /nfs/dbraw/zinc/94/68/59/567946859.db2.gz SAJCHBORZWRTPO-UHFFFAOYSA-N 0 0 256.227 3.614 50 0 CHAARN Cn1ccc2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc21 ZINC000049543652 567946878 /nfs/dbraw/zinc/94/68/78/567946878.db2.gz DCLDVFNDNZEIEW-UHFFFAOYSA-N 0 0 289.338 3.912 50 0 biogenic CHAARN COc1c(F)cc(CN(C)[C@H](C)c2ccncc2)cc1F ZINC000215870129 567947322 /nfs/dbraw/zinc/94/73/22/567947322.db2.gz FJPADCVXDQDJMN-LLVKDONJSA-N 0 0 292.329 3.561 50 0 CHAARN Cc1cc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c(C)s1 ZINC000032739380 567948676 /nfs/dbraw/zinc/94/86/76/567948676.db2.gz AHEAHXWUQLXIKT-SNVBAGLBSA-N 0 0 299.399 3.732 50 0 CHAARN O=C(Nc1ccc(Cl)c2ncccc12)c1ccco1 ZINC000026071195 567949473 /nfs/dbraw/zinc/94/94/73/567949473.db2.gz LWIJKGKRKFAEEQ-UHFFFAOYSA-N 0 0 272.691 3.734 50 0 CHAARN COc1c(C)cc(-c2ccc(F)c(C=O)c2)cc1C ZINC000040449498 567953593 /nfs/dbraw/zinc/95/35/93/567953593.db2.gz ZGOUMDQXYFQMLF-UHFFFAOYSA-N 0 0 258.292 3.931 50 0 CHAARN c1cc2ncnc(N[C@H]3CCO[C@@H]3c3ccccc3)c2s1 ZINC000225442235 567953725 /nfs/dbraw/zinc/95/37/25/567953725.db2.gz LQUCTSYWKDDHMN-GXTWGEPZSA-N 0 0 297.383 3.633 50 0 CHAARN CC(C)(C)C1=N/C(=C/c2cnc3ccsc3c2)C(=O)O1 ZINC000225508858 567953771 /nfs/dbraw/zinc/95/37/71/567953771.db2.gz BGTWOPCJPYEKGD-IZZDOVSWSA-N 0 0 286.356 3.639 50 0 CHAARN CC1(Nc2ncnc3ccccc32)Cc2ccccc2C1 ZINC000225534078 567953914 /nfs/dbraw/zinc/95/39/14/567953914.db2.gz HHLWUUSIFXSWPS-UHFFFAOYSA-N 0 0 275.355 3.599 50 0 CHAARN CCc1ncnc(N2CCCC[C@H]2c2ccccc2)c1F ZINC000225603147 567954034 /nfs/dbraw/zinc/95/40/34/567954034.db2.gz WGFUZGXLEVVUSK-HNNXBMFYSA-N 0 0 285.366 3.910 50 0 CHAARN Cc1ccc(CC(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1 ZINC000029799409 567954571 /nfs/dbraw/zinc/95/45/71/567954571.db2.gz CJZQVPNCNMGTGU-UHFFFAOYSA-N 0 0 291.354 3.566 50 0 CHAARN CC(C)C[C@@H](C)N(C)C(=O)Cc1c[nH]c2ccccc12 ZINC000030427911 567955068 /nfs/dbraw/zinc/95/50/68/567955068.db2.gz MPOMSLFWJYWQGQ-CYBMUJFWSA-N 0 0 272.392 3.603 50 0 CHAARN O=C(Nc1nccs1)c1cc(C2CC2)nc2ccccc21 ZINC000012389897 567955713 /nfs/dbraw/zinc/95/57/13/567955713.db2.gz XWDSWEHFBYGXNZ-UHFFFAOYSA-N 0 0 295.367 3.821 50 0 CHAARN CC(C)c1cc(NC(=O)c2ccc(F)cc2Cl)n[nH]1 ZINC000058392345 567956273 /nfs/dbraw/zinc/95/62/73/567956273.db2.gz AETSXZSCNTXIOA-UHFFFAOYSA-N 0 0 281.718 3.578 50 0 CHAARN CCCCOC(=O)c1ccc(-c2ccc(C=O)o2)cc1 ZINC000001884825 570214581 /nfs/dbraw/zinc/21/45/81/570214581.db2.gz ILOBCRIQQKHDIZ-UHFFFAOYSA-N 0 0 272.300 3.716 50 0 CHAARN CCCOc1ccc(NCC(=O)Nc2ccccc2)cc1 ZINC000001912030 570214844 /nfs/dbraw/zinc/21/48/44/570214844.db2.gz LJAMOZFJLOIFAM-UHFFFAOYSA-N 0 0 284.359 3.526 50 0 CHAARN Cc1cccc(/C=C/C(=O)Nc2ccc(F)cc2F)c1 ZINC000002582802 570218054 /nfs/dbraw/zinc/21/80/54/570218054.db2.gz FNYDSUGGMRTXON-VMPITWQZSA-N 0 0 273.282 3.925 50 0 CHAARN C[C@]12CC[C@@H]3C[C@@]31[C@@H](O)C[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]12 ZINC000006200104 570216606 /nfs/dbraw/zinc/21/66/06/570216606.db2.gz NIDVKCKYZAQGOI-WEZHHOKNSA-N 0 0 288.431 3.569 50 0 CHAARN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000000514502 570218442 /nfs/dbraw/zinc/21/84/42/570218442.db2.gz NZGWXCWYZNXIGN-AWEZNQCLSA-N 0 0 299.370 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/nfs/dbraw/zinc/30/86/44/570308644.db2.gz OPOSAVOLQDAOBA-FRRDWIJNSA-N 0 0 276.380 3.591 50 0 CHAARN COc1cccc([C@H]2CCCCN2C(=O)c2ccco2)c1 ZINC000220442136 570310512 /nfs/dbraw/zinc/31/05/12/570310512.db2.gz YTKBOKNYTZZLDV-OAHLLOKOSA-N 0 0 285.343 3.656 50 0 CHAARN CC(C)c1cc(C(=O)N[C@@H](C)c2ccncc2)cs1 ZINC000012382873 570315286 /nfs/dbraw/zinc/31/52/86/570315286.db2.gz BBLJBOCBJVOSCX-NSHDSACASA-N 0 0 274.389 3.758 50 0 CHAARN COc1ccc2[nH]c(COc3cc(C)cc(C)c3)nc2c1 ZINC000041146195 570316397 /nfs/dbraw/zinc/31/63/97/570316397.db2.gz QDZPOSLDTPWWAB-UHFFFAOYSA-N 0 0 282.343 3.767 50 0 CHAARN Nc1ccc(Br)c(C(F)(F)F)c1Cl ZINC000238574058 570319215 /nfs/dbraw/zinc/31/92/15/570319215.db2.gz GJPVZSDFSCGEHI-UHFFFAOYSA-N 0 0 274.467 3.704 50 0 CHAARN CN(Cc1cc(C2CCCCC2)no1)C[C@@H]1CCCCO1 ZINC000244794692 570320918 /nfs/dbraw/zinc/32/09/18/570320918.db2.gz QRRLJDHZKRKLIE-HNNXBMFYSA-N 0 0 292.423 3.723 50 0 CHAARN CCn1ccc(CN2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000244788011 570320953 /nfs/dbraw/zinc/32/09/53/570320953.db2.gz QHQOZEWGVKBWNH-AWEZNQCLSA-N 0 0 289.810 3.546 50 0 CHAARN CCc1nnc2c3c(ncn12)sc(C)c3-c1ccccc1 ZINC000001016320 570323550 /nfs/dbraw/zinc/32/35/50/570323550.db2.gz WRDXYQGVQMOZEW-UHFFFAOYSA-N 0 0 294.383 3.877 50 0 CHAARN Cc1ccc(OCc2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000001018714 570323596 /nfs/dbraw/zinc/32/35/96/570323596.db2.gz VYJSICLVRBLABJ-UHFFFAOYSA-N 0 0 280.327 3.932 50 0 CHAARN CC(C)Nc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000001972851 570326704 /nfs/dbraw/zinc/32/67/04/570326704.db2.gz BCDGHCARLNLHIP-SECBINFHSA-N 0 0 261.394 3.636 50 0 CHAARN C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(Cl)cc1 ZINC000012525339 570326839 /nfs/dbraw/zinc/32/68/39/570326839.db2.gz BSBLOICWFRFZKI-SNVBAGLBSA-N 0 0 299.761 3.707 50 0 CHAARN Cc1[nH]c2ccc(Br)cc2c(=O)c1CC(C)C ZINC000003984918 570327071 /nfs/dbraw/zinc/32/70/71/570327071.db2.gz QPFJVXXVDNZUDH-UHFFFAOYSA-N 0 0 294.192 3.798 50 0 biogenic CHAARN Cc1nc(C)c(C(=O)Nc2ccc(C)cc2Cl)s1 ZINC000012598708 570328879 /nfs/dbraw/zinc/32/88/79/570328879.db2.gz STRTXAZBKZDVEA-UHFFFAOYSA-N 0 0 280.780 3.974 50 0 CHAARN C(=C/c1c(-c2ccccc2)nc2sccn12)\c1ccn[nH]1 ZINC000004024283 570330688 /nfs/dbraw/zinc/33/06/88/570330688.db2.gz YLKIXQUPYKAWAB-VOTSOKGWSA-N 0 0 292.367 3.956 50 0 CHAARN Cc1ccc2[nH]c([C@@H](C)NC(=O)c3ccccc3F)nc2c1 ZINC000001385894 570333012 /nfs/dbraw/zinc/33/30/12/570333012.db2.gz UQVBQPPVDIMUCF-LLVKDONJSA-N 0 0 297.333 3.501 50 0 CHAARN Cc1cccc(CN2c3ccccc3CCCC2=O)c1 ZINC000001386971 570333432 /nfs/dbraw/zinc/33/34/32/570333432.db2.gz AOAXZDDSFDEYSA-UHFFFAOYSA-N 0 0 265.356 3.865 50 0 CHAARN CCc1ccc([C@H]2C[C@@H](C(F)F)n3nccc3N2)cc1 ZINC000002784984 570333632 /nfs/dbraw/zinc/33/36/32/570333632.db2.gz HJRNFCBDDVTUEI-OLZOCXBDSA-N 0 0 277.318 3.809 50 0 CHAARN CCc1ccc(Br)c(Br)c1 ZINC000002567865 570333667 /nfs/dbraw/zinc/33/36/67/570333667.db2.gz TWRRCFOQFYBRLL-UHFFFAOYSA-N 0 0 263.960 3.774 50 0 CHAARN Cc1ccc([C@H]2C[C@H](C(F)F)n3nccc3N2)cc1 ZINC000002784690 570333758 /nfs/dbraw/zinc/33/37/58/570333758.db2.gz UBBGIRLKGPHESJ-VXGBXAGGSA-N 0 0 263.291 3.555 50 0 CHAARN Cc1oc2ccccc2c1C(=O)c1ccc(O)cc1 ZINC000002576318 570333870 /nfs/dbraw/zinc/33/38/70/570333870.db2.gz BCQDWIKXULTIHQ-UHFFFAOYSA-N 0 0 252.269 3.678 50 0 CHAARN O=C(Cc1cccs1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000015671042 570337245 /nfs/dbraw/zinc/33/72/45/570337245.db2.gz PEGPMWRNECFULF-OAHLLOKOSA-N 0 0 289.375 3.793 50 0 CHAARN CCc1ccc(NC(=O)Cn2nc(C)c3ccccc32)cc1 ZINC000015671631 570337353 /nfs/dbraw/zinc/33/73/53/570337353.db2.gz GEZUZRDRIWJDGQ-UHFFFAOYSA-N 0 0 293.370 3.546 50 0 CHAARN Cc1noc(C)c1-c1ccc2c(C)cc(C)c(O)c2n1 ZINC000032533028 570338463 /nfs/dbraw/zinc/33/84/63/570338463.db2.gz KPUSABNHSPNKDL-UHFFFAOYSA-N 0 0 268.316 3.829 50 0 CHAARN Cc1ccccc1-c1cc(NC(=O)c2cccs2)n(C)n1 ZINC000074285590 570340391 /nfs/dbraw/zinc/34/03/91/570340391.db2.gz IWHXMUQDMCWJII-UHFFFAOYSA-N 0 0 297.383 3.709 50 0 CHAARN CSCCC(=O)Nc1cccc(C2SCCS2)c1 ZINC000012857313 570341300 /nfs/dbraw/zinc/34/13/00/570341300.db2.gz XYRBCDSIXIKEDP-UHFFFAOYSA-N 0 0 299.486 3.857 50 0 CHAARN COc1ccc([C@@H]2C[C@H]2c2ccc(OC)cc2)cc1 ZINC000001556163 570347407 /nfs/dbraw/zinc/34/74/07/570347407.db2.gz YTFKRSWDEPYBKW-IRXDYDNUSA-N 0 0 254.329 3.975 50 0 CHAARN C[C@H](NC(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000012950043 570348061 /nfs/dbraw/zinc/34/80/61/570348061.db2.gz ULKMKMKHTLVGIU-AWEZNQCLSA-N 0 0 272.392 3.937 50 0 CHAARN CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2cccnc2)C2CC2)C1(C)C ZINC000053472444 570348480 /nfs/dbraw/zinc/34/84/80/570348480.db2.gz TXYRIVDORJRCGG-IRXDYDNUSA-N 0 0 298.430 3.811 50 0 CHAARN Cc1ccc([C@H](C)NC(=S)NCc2cccs2)s1 ZINC000053532308 570348851 /nfs/dbraw/zinc/34/88/51/570348851.db2.gz QNXQQLGZLUZAPG-JTQLQIEISA-N 0 0 296.486 3.843 50 0 CHAARN CN(C)C(=O)N1Cc2ccccc2C(C)(C)CC1(C)C ZINC000006257549 570349919 /nfs/dbraw/zinc/34/99/19/570349919.db2.gz TURLSKBSJKDLOK-UHFFFAOYSA-N 0 0 274.408 3.630 50 0 CHAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1cccc(F)c1)C2 ZINC000013004741 570354340 /nfs/dbraw/zinc/35/43/40/570354340.db2.gz QTKZJIFUXIXMGG-HNNXBMFYSA-N 0 0 287.359 3.790 50 0 CHAARN C[S@@](=O)Cc1cccc(N[C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000092170671 570355518 /nfs/dbraw/zinc/35/55/18/570355518.db2.gz JZUJXHILRZARIQ-VPWXQRGCSA-N 0 0 291.460 3.946 50 0 CHAARN CCOc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000002001657 570358097 /nfs/dbraw/zinc/35/80/97/570358097.db2.gz OWLNNWLMURDQMF-UHFFFAOYSA-N 0 0 294.354 3.748 50 0 biogenic CHAARN CC1CCN(C(=O)c2ccc(-c3ccsc3)nc2)CC1 ZINC000064542293 570358608 /nfs/dbraw/zinc/35/86/08/570358608.db2.gz JEANDALRRGAQRU-UHFFFAOYSA-N 0 0 286.400 3.682 50 0 CHAARN CCOc1ccccc1C(=O)Nc1cc(-c2ccco2)no1 ZINC000065153041 570360042 /nfs/dbraw/zinc/36/00/42/570360042.db2.gz LDKISOPFBUPXJK-UHFFFAOYSA-N 0 0 298.298 3.586 50 0 CHAARN Cc1ccccc1CC(=O)Nc1cc(-c2cccs2)no1 ZINC000065152967 570360096 /nfs/dbraw/zinc/36/00/96/570360096.db2.gz WXRCXYGWFBETFU-UHFFFAOYSA-N 0 0 298.367 3.893 50 0 CHAARN CC(C)n1cc2cc(C(=O)N3CCCCC3)sc2c1 ZINC000065285537 570361528 /nfs/dbraw/zinc/36/15/28/570361528.db2.gz JUPKIOOMBZANIE-UHFFFAOYSA-N 0 0 276.405 3.910 50 0 CHAARN C[C@@H]1c2ccccc2CCN1C(=O)CCc1ccccc1 ZINC000065293104 570361893 /nfs/dbraw/zinc/36/18/93/570361893.db2.gz BNKGGIIHOVFQRZ-OAHLLOKOSA-N 0 0 279.383 3.765 50 0 CHAARN CCOc1ccccc1NC(=O)c1nc(C(C)C)oc1C ZINC000065293437 570361908 /nfs/dbraw/zinc/36/19/08/570361908.db2.gz OZNMIQCOAPOFJX-UHFFFAOYSA-N 0 0 288.347 3.757 50 0 CHAARN CCc1cnc(NCc2cc(C)nc(Cl)c2)s1 ZINC000170619387 570363592 /nfs/dbraw/zinc/36/35/92/570363592.db2.gz BXTBHTTUZUDSKA-UHFFFAOYSA-N 0 0 267.785 3.674 50 0 CHAARN O=C(CC(F)(F)F)Nc1cccnc1-c1ccccc1 ZINC000152546688 570365718 /nfs/dbraw/zinc/36/57/18/570365718.db2.gz BATLSKXGBOTIEN-UHFFFAOYSA-N 0 0 280.249 3.640 50 0 CHAARN CSc1ncccc1C(=O)N1CCCc2cc(C)ccc21 ZINC000014423459 570366333 /nfs/dbraw/zinc/36/63/33/570366333.db2.gz ACAPEGLDDHWZKE-UHFFFAOYSA-N 0 0 298.411 3.705 50 0 CHAARN CCC[C@@H](C)C(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000089949452 570369020 /nfs/dbraw/zinc/36/90/20/570369020.db2.gz OHEKUALUFLQRDW-LLVKDONJSA-N 0 0 262.397 3.744 50 0 CHAARN C[C@@H](C(=O)N1CCCCC1)c1ccc(Cl)s1 ZINC000089905025 570371015 /nfs/dbraw/zinc/37/10/15/570371015.db2.gz MUMWPUQNORARNO-SECBINFHSA-N 0 0 257.786 3.518 50 0 CHAARN C[C@@H]1C[C@H]1C(=O)Nc1cccc(/C=C\c2ccccn2)c1 ZINC000252457508 570374240 /nfs/dbraw/zinc/37/42/40/570374240.db2.gz NUFBFLBABAIKHH-AQNMWXLTSA-N 0 0 278.355 3.847 50 0 CHAARN CCc1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1 ZINC000003210009 570378927 /nfs/dbraw/zinc/37/89/27/570378927.db2.gz NHPRWOQVTHOZLX-LFIBNONCSA-N 0 0 295.313 3.733 50 0 CHAARN Cc1ccccc1-n1cc(-c2ccccc2)sc1=N ZINC000004404090 570380070 /nfs/dbraw/zinc/38/00/70/570380070.db2.gz UMRNZKZLRBOQPX-UHFFFAOYSA-N 0 0 266.369 3.994 50 0 CHAARN O=C(/C=C/c1ccccc1)N1CCCC[C@H]1C(F)(F)F ZINC000253394386 570384569 /nfs/dbraw/zinc/38/45/69/570384569.db2.gz AYJVTDYVDIWJLZ-LXKVQUBZSA-N 0 0 283.293 3.643 50 0 CHAARN Cc1noc([C@H](C)Sc2cccc(Cl)c2)n1 ZINC000069705618 570402092 /nfs/dbraw/zinc/40/20/92/570402092.db2.gz OBHDXVHEUPGZFL-ZETCQYMHSA-N 0 0 254.742 3.885 50 0 CHAARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nccc3N2)c1 ZINC000002526603 570385706 /nfs/dbraw/zinc/38/57/06/570385706.db2.gz FFUKJYONKSCUIL-NEPJUHHUSA-N 0 0 297.280 3.552 50 0 CHAARN Cc1ccc(NC(=O)N2CCO[C@H](c3ccccc3)C2)cc1 ZINC000012893237 570390407 /nfs/dbraw/zinc/39/04/07/570390407.db2.gz MPYVILMQJYFSOI-KRWDZBQOSA-N 0 0 296.370 3.600 50 0 CHAARN Cc1cc(C)c(NC(=O)c2ccccn2)c(Cl)c1 ZINC000013003370 570391106 /nfs/dbraw/zinc/39/11/06/570391106.db2.gz OBXZNCIYRAATSY-UHFFFAOYSA-N 0 0 260.724 3.604 50 0 CHAARN Cn1ncc(C2CC2)c1/C=C/c1nc2ccccc2o1 ZINC000585091693 570392337 /nfs/dbraw/zinc/39/23/37/570392337.db2.gz VKHPNYJLWRALMB-CMDGGOBGSA-N 0 0 265.316 3.609 50 0 CHAARN CSc1ccc(-c2oc3ccccc3c(=O)c2O)cc1 ZINC000215357321 570393792 /nfs/dbraw/zinc/39/37/92/570393792.db2.gz YEWFJNIODNIPSP-UHFFFAOYSA-N 0 0 284.336 3.888 50 0 CHAARN Cc1ccc(C(=O)O[C@@H](C2CC2)C(F)(F)F)cc1F ZINC000079063152 570396190 /nfs/dbraw/zinc/39/61/90/570396190.db2.gz PHYLWEZXBPVHBL-NSHDSACASA-N 0 0 276.229 3.632 50 0 CHAARN O=C(NC1CCCCCCC1)c1n[nH]c(C2CC2)c1Cl ZINC000079074461 570396371 /nfs/dbraw/zinc/39/63/71/570396371.db2.gz PDLOLACNMNSTOE-UHFFFAOYSA-N 0 0 295.814 3.783 50 0 CHAARN CCOc1ccc(CNc2cc(C)cc(C)c2)nc1 ZINC000079074839 570396453 /nfs/dbraw/zinc/39/64/53/570396453.db2.gz UFPSLMYJOBNZLZ-UHFFFAOYSA-N 0 0 256.349 3.709 50 0 CHAARN NC(=O)c1ccccc1OCc1cccc2ccccc21 ZINC000002626862 570396979 /nfs/dbraw/zinc/39/69/79/570396979.db2.gz YUJGKWJXGAABIQ-UHFFFAOYSA-N 0 0 277.323 3.518 50 0 CHAARN Cc1ccccc1C(=O)NCc1cccc(Cl)c1 ZINC000003446258 570399372 /nfs/dbraw/zinc/39/93/72/570399372.db2.gz GUHYVFGEOZKGFE-UHFFFAOYSA-N 0 0 259.736 3.578 50 0 CHAARN COCc1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC000067985620 570401051 /nfs/dbraw/zinc/40/10/51/570401051.db2.gz RACRHABNYYTNTO-UHFFFAOYSA-N 0 0 271.288 3.558 50 0 CHAARN O=C(N[C@@H]1CC=CCC1)c1ccccc1C(F)(F)F ZINC000172481683 570401230 /nfs/dbraw/zinc/40/12/30/570401230.db2.gz APFCOMIQTFCAAJ-SNVBAGLBSA-N 0 0 269.266 3.544 50 0 CHAARN Cc1cnccc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000069737630 570402247 /nfs/dbraw/zinc/40/22/47/570402247.db2.gz ZLWJRJNHAFPLGU-UHFFFAOYSA-N 0 0 270.376 3.545 50 0 CHAARN Cc1nnc([C@@H](C)N[C@@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000069774838 570402582 /nfs/dbraw/zinc/40/25/82/570402582.db2.gz BJCNFLWICQBNJU-MEBBXXQBSA-N 0 0 289.354 3.709 50 0 CHAARN Cc1nnc([C@H](C)N[C@@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000069774840 570402617 /nfs/dbraw/zinc/40/26/17/570402617.db2.gz BJCNFLWICQBNJU-ZUZCIYMTSA-N 0 0 289.354 3.709 50 0 CHAARN Cc1ccsc1-c1nnc(SC[C@@H]2CCCCO2)o1 ZINC000069808407 570402633 /nfs/dbraw/zinc/40/26/33/570402633.db2.gz GMONNPUIOLNYTR-JTQLQIEISA-N 0 0 296.417 3.768 50 0 CHAARN Cc1cc(CNC(=O)c2ccc(F)cc2Cl)c(C)o1 ZINC000070640370 570404336 /nfs/dbraw/zinc/40/43/36/570404336.db2.gz IQAINBXXLJJEQY-UHFFFAOYSA-N 0 0 281.714 3.619 50 0 CHAARN COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000032823482 570409771 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COc1ccc(-c2noc(CCCc3ccccc3)n2)cc1 ZINC000000203256 169573513 /nfs/dbraw/zinc/57/35/13/169573513.db2.gz MFYSTINQJDJCOE-UHFFFAOYSA-N 0 0 294.354 3.921 50 0 biogenic CHAARN Cc1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2)c1 ZINC000000219773 169579314 /nfs/dbraw/zinc/57/93/14/169579314.db2.gz PCECYNZZWBVHNL-UHFFFAOYSA-N 0 0 288.730 3.688 50 0 CHAARN COc1ccc(-c2cc3c4cccn4ccn3c2)cc1 ZINC000000245580 169585521 /nfs/dbraw/zinc/58/55/21/169585521.db2.gz ZZFFJSDEPZPAGH-UHFFFAOYSA-N 0 0 262.312 3.868 50 0 CHAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2)c1C ZINC000000265009 169591622 /nfs/dbraw/zinc/59/16/22/169591622.db2.gz OXGIASHTSLAMHY-UHFFFAOYSA-N 0 0 290.750 3.740 50 0 CHAARN CC1(C)C(c2ccccc2)=N[C@H](c2ccccc2)N1O ZINC000000275539 169594921 /nfs/dbraw/zinc/59/49/21/169594921.db2.gz KQBLVKCISLSHRC-INIZCTEOSA-N 0 0 266.344 3.658 50 0 CHAARN CCn1c(SCc2ccccc2)nc2ccccc2c1=O ZINC000000292446 169598935 /nfs/dbraw/zinc/59/89/35/169598935.db2.gz PBHDJFVOKMHYLY-UHFFFAOYSA-N 0 0 296.395 3.709 50 0 CHAARN O=C(CSc1ccc2ccccc2n1)Nc1ccccc1 ZINC000000291395 169598951 /nfs/dbraw/zinc/59/89/51/169598951.db2.gz CGFLHGCJKNFZRX-UHFFFAOYSA-N 0 0 294.379 3.966 50 0 CHAARN Cc1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 ZINC000000316980 169606561 /nfs/dbraw/zinc/60/65/61/169606561.db2.gz GBRBZWOWURHJMP-UHFFFAOYSA-N 0 0 295.382 3.682 50 0 CHAARN CCc1ccc(OCC(=O)NC2CCCCCCC2)cc1 ZINC000000317701 169607025 /nfs/dbraw/zinc/60/70/25/169607025.db2.gz ACCBCVIRBHOGFU-UHFFFAOYSA-N 0 0 289.419 3.857 50 0 CHAARN CCC(CC)C(=O)Nc1cc(Cl)ccc1OC ZINC000000335454 169609894 /nfs/dbraw/zinc/60/98/94/169609894.db2.gz DLWXNRFNNMJMMI-UHFFFAOYSA-N 0 0 255.745 3.723 50 0 CHAARN O=c1c(-c2ccccc2)c(Cl)c2cccc3c2n1CC3 ZINC000000344115 169612395 /nfs/dbraw/zinc/61/23/95/169612395.db2.gz SQFZKKSAGGNBRH-UHFFFAOYSA-N 0 0 281.742 3.878 50 0 CHAARN c1ccc2c(c1)Sc1ncccc1-c1cncnc1-2 ZINC000000346703 169613386 /nfs/dbraw/zinc/61/33/86/169613386.db2.gz INTYVBKNMMUUKZ-UHFFFAOYSA-N 0 0 263.325 3.670 50 0 CHAARN COc1cccc(C(=O)Nc2cccc(SC)c2)c1 ZINC000000363452 169618291 /nfs/dbraw/zinc/61/82/91/169618291.db2.gz AKZQNZISVBWBTF-UHFFFAOYSA-N 0 0 273.357 3.669 50 0 aggregator CHAARN CCc1nnc(NC(=O)c2cccc3ccccc32)s1 ZINC000000362347 169617594 /nfs/dbraw/zinc/61/75/94/169617594.db2.gz QIIWUHVRVDAMKA-UHFFFAOYSA-N 0 0 283.356 3.506 50 0 CHAARN Cc1cc(C)n(C(=O)COc2ccc(Cl)cc2Cl)n1 ZINC000000364078 169618762 /nfs/dbraw/zinc/61/87/62/169618762.db2.gz WGEUSFXLHJRECP-UHFFFAOYSA-N 0 0 299.157 3.526 50 0 CHAARN CCc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2)cc1 ZINC000000370892 169620937 /nfs/dbraw/zinc/62/09/37/169620937.db2.gz PIZGBQDLLWXRBH-GFCCVEGCSA-N 0 0 271.335 3.879 50 0 CHAARN Cc1cc(OCC(=O)NC2CCCCCC2)ccc1Cl ZINC000000371639 169621049 /nfs/dbraw/zinc/62/10/49/169621049.db2.gz ZXUXBANGOSYERO-UHFFFAOYSA-N 0 0 295.810 3.866 50 0 CHAARN CC(C)OC(=O)n1c2ccccc2sc1=S ZINC000000389902 169627454 /nfs/dbraw/zinc/62/74/54/169627454.db2.gz HQUDGIMWLFCIMS-UHFFFAOYSA-N 0 0 253.348 3.825 50 0 CHAARN O=C(NCc1cccnc1)Nc1ccc(Cl)cc1Cl ZINC000000396223 169629339 /nfs/dbraw/zinc/62/93/39/169629339.db2.gz APAAMPFYURFOSJ-UHFFFAOYSA-N 0 0 296.157 3.710 50 0 CHAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)ncn2)cc1 ZINC000000397649 169630105 /nfs/dbraw/zinc/63/01/05/169630105.db2.gz JMJBXGKGOYAYNI-UHFFFAOYSA-N 0 0 292.338 3.828 50 0 CHAARN CSc1cccc(NC(=O)N2CCCC[C@@H]2C)c1 ZINC000000400408 169631093 /nfs/dbraw/zinc/63/10/93/169631093.db2.gz HWDOUOJKKLQTBE-NSHDSACASA-N 0 0 264.394 3.815 50 0 CHAARN CCOc1ccc(C(=O)N2CCCCCC2)cc1OCC ZINC000000434481 169639459 /nfs/dbraw/zinc/63/94/59/169639459.db2.gz QZHZEPIIYXVCHE-UHFFFAOYSA-N 0 0 291.391 3.500 50 0 CHAARN COc1cc(NC(=O)c2ccccc2Cl)cc(OC)c1 ZINC000000435924 169639742 /nfs/dbraw/zinc/63/97/42/169639742.db2.gz RVEKIVIZXVABPX-UHFFFAOYSA-N 0 0 291.734 3.610 50 0 CHAARN CCOc1cc2oc(=O)c(CC)c(C)c2cc1CC ZINC000000449644 169643535 /nfs/dbraw/zinc/64/35/35/169643535.db2.gz RKIZWCNUNGWRIW-UHFFFAOYSA-N 0 0 260.333 3.625 50 0 CHAARN COc1ccc2oc(C)c([C@@H](O)c3ccccc3)c2c1 ZINC000000446195 169642992 /nfs/dbraw/zinc/64/29/92/169642992.db2.gz VGJZWKJCGVFORX-KRWDZBQOSA-N 0 0 268.312 3.832 50 0 CHAARN O=C(/C=C/c1cccc(Cl)c1)NCc1cccs1 ZINC000000461357 169646927 /nfs/dbraw/zinc/64/69/27/169646927.db2.gz PXQUQJWVFJRPII-VOTSOKGWSA-N 0 0 277.776 3.731 50 0 CHAARN CCc1cccc(C)c1NC(=O)c1c(OC)cccc1OC ZINC000000478063 169651453 /nfs/dbraw/zinc/65/14/53/169651453.db2.gz AIUVETUZIWOIAT-UHFFFAOYSA-N 0 0 299.370 3.827 50 0 CHAARN Clc1ccsc1-c1ccnc(-n2cccc2)n1 ZINC000004088633 184531151 /nfs/dbraw/zinc/53/11/51/184531151.db2.gz CVJRUNFFQIGCGF-UHFFFAOYSA-N 0 0 261.737 3.649 50 0 CHAARN Cc1cccc(N2C(=O)CSC23CCCCC3)c1 ZINC000004348806 184531738 /nfs/dbraw/zinc/53/17/38/184531738.db2.gz DFPYFYCGNMHTBU-UHFFFAOYSA-N 0 0 261.390 3.735 50 0 CHAARN CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000000480585 169652330 /nfs/dbraw/zinc/65/23/30/169652330.db2.gz HBSKJUIYDCEXCH-KRWDZBQOSA-N 0 0 296.345 3.913 50 0 CHAARN COc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000000472122 169649826 /nfs/dbraw/zinc/64/98/26/169649826.db2.gz OQPGKZAOQGTVPX-UHFFFAOYSA-N 0 0 290.750 3.670 50 0 CHAARN COc1ccc(CCC(=O)Nc2cccc(C)c2C)cc1 ZINC000000474140 169650094 /nfs/dbraw/zinc/65/00/94/169650094.db2.gz KPJXTZJKOYVHJA-UHFFFAOYSA-N 0 0 283.371 3.883 50 0 CHAARN COc1ccc(NC(=O)Nc2ccccc2)c(C)c1 ZINC000051354575 184565795 /nfs/dbraw/zinc/56/57/95/184565795.db2.gz UZQGSWJHUJTXHY-UHFFFAOYSA-N 0 0 256.305 3.648 50 0 CHAARN COc1ccc(NC(=O)c2ccc(C)cc2C)cc1OC ZINC000000514589 169659769 /nfs/dbraw/zinc/65/97/69/169659769.db2.gz VYGNDFPUDLUFCX-UHFFFAOYSA-N 0 0 285.343 3.573 50 0 CHAARN CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2c2ccco2)C1 ZINC000096432346 256755427 /nfs/dbraw/zinc/75/54/27/256755427.db2.gz HCACSSNDKLCPTC-RFQIPJPRSA-N 0 0 293.432 3.516 50 0 CHAARN COC(=O)c1ccc(NCc2cnc(C)s2)cc1Cl ZINC000096427551 256757470 /nfs/dbraw/zinc/75/74/70/256757470.db2.gz QTLFFTXDYXEMQF-UHFFFAOYSA-N 0 0 296.779 3.504 50 0 CHAARN CN(C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000000397998 256785164 /nfs/dbraw/zinc/78/51/64/256785164.db2.gz OALYUGQHXIWDRN-UHFFFAOYSA-N 0 0 267.543 3.740 50 0 CHAARN CC[C@@](C)(NCc1ccccc1OC)c1nc(C)cs1 ZINC000174502535 256857984 /nfs/dbraw/zinc/85/79/84/256857984.db2.gz QGVYPGXMSVVXKT-MRXNPFEDSA-N 0 0 290.432 3.875 50 0 CHAARN CCCc1nc(-c2ccc(OC)c3ncccc23)c[nH]1 ZINC000426529280 256860298 /nfs/dbraw/zinc/86/02/98/256860298.db2.gz LFJRXVHAASYEIS-UHFFFAOYSA-N 0 0 267.332 3.586 50 0 CHAARN CSc1ccccc1-c1cccc(C(=O)N(C)C)c1 ZINC000426431809 256860374 /nfs/dbraw/zinc/86/03/74/256860374.db2.gz KJZLMTUIUNVVOK-UHFFFAOYSA-N 0 0 271.385 3.777 50 0 CHAARN C[C@@H](c1nc(C2CC2)no1)N(C)Cc1ccc(Cl)cc1 ZINC000051454004 256877087 /nfs/dbraw/zinc/87/70/87/256877087.db2.gz UJWNTHVLTRLMTA-JTQLQIEISA-N 0 0 291.782 3.793 50 0 CHAARN CC(=O)N[C@@H](C)c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000426403513 256861747 /nfs/dbraw/zinc/86/17/47/256861747.db2.gz MUTRCKASTAWCRN-JTQLQIEISA-N 0 0 275.298 3.829 50 0 CHAARN O=C(Nc1ccc(Cl)c2ncccc12)c1ccoc1 ZINC000057547445 256877494 /nfs/dbraw/zinc/87/74/94/256877494.db2.gz HQHLRMSVHGGEKH-UHFFFAOYSA-N 0 0 272.691 3.734 50 0 CHAARN O=C(/C=C/c1ccc(F)cc1)NCc1ccc(Cl)cc1 ZINC000000452477 256871592 /nfs/dbraw/zinc/87/15/92/256871592.db2.gz PSBWTOUCTGCOTG-BJMVGYQFSA-N 0 0 289.737 3.809 50 0 CHAARN CCC(=O)Nc1ccc2oc(-c3ccc(OC)cc3)nc2c1 ZINC000020103083 256874097 /nfs/dbraw/zinc/87/40/97/256874097.db2.gz AQMADHCBDLGPMB-UHFFFAOYSA-N 0 0 296.326 3.852 50 0 CHAARN COc1cccc(CNc2ncnc3cccc(C)c32)c1 ZINC000080762912 177704696 /nfs/dbraw/zinc/70/46/96/177704696.db2.gz QUWMIZYBFVIKRO-UHFFFAOYSA-N 0 0 279.343 3.559 50 0 CHAARN CCc1ccc(CCC(=O)Nc2ccc(C(C)=O)cc2)o1 ZINC000000538850 169664835 /nfs/dbraw/zinc/66/48/35/169664835.db2.gz LYPSJXFSEXNQFY-UHFFFAOYSA-N 0 0 285.343 3.616 50 0 CHAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)C(C)C ZINC000000549010 169666491 /nfs/dbraw/zinc/66/64/91/169666491.db2.gz WZRAFQPWTVBKES-UHFFFAOYSA-N 0 0 293.370 3.904 50 0 CHAARN CC(C)Sc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000000551814 169666621 /nfs/dbraw/zinc/66/66/21/169666621.db2.gz POEDLJQTGKTNCZ-UHFFFAOYSA-N 0 0 296.395 3.886 50 0 CHAARN CCOc1ccccc1NC(=O)c1ccc(C)cc1C ZINC000000557901 169668087 /nfs/dbraw/zinc/66/80/87/169668087.db2.gz YOVHCYVZNIFLIX-UHFFFAOYSA-N 0 0 269.344 3.954 50 0 CHAARN Fc1cccc(Cl)c1CNc1ccc2c(c1)OCO2 ZINC000000576430 169672092 /nfs/dbraw/zinc/67/20/92/169672092.db2.gz BBPXRUBDZPGZAF-UHFFFAOYSA-N 0 0 279.698 3.820 50 0 CHAARN O=C(OCc1ccc2ccccc2c1)c1ccco1 ZINC000000618315 169675994 /nfs/dbraw/zinc/67/59/94/169675994.db2.gz QGZYHNIXKVYLOJ-UHFFFAOYSA-N 0 0 252.269 3.790 50 0 CHAARN C[C@H](NC(=O)c1ccc(Br)s1)C(C)(C)C ZINC000001021604 169686293 /nfs/dbraw/zinc/68/62/93/169686293.db2.gz YJCOYUUXVOPZRG-ZETCQYMHSA-N 0 0 290.226 3.675 50 0 CHAARN O=C(c1csc2ccccc12)N1CCCCCC1 ZINC000001054084 169687581 /nfs/dbraw/zinc/68/75/81/169687581.db2.gz QLQOMSZWECJNAR-UHFFFAOYSA-N 0 0 259.374 3.918 50 0 CHAARN COc1ccc(NC(=O)Cc2coc3ccc(C)cc23)cc1 ZINC000001058524 169688290 /nfs/dbraw/zinc/68/82/90/169688290.db2.gz WSRPZOSAVJCJEB-UHFFFAOYSA-N 0 0 295.338 3.931 50 0 CHAARN C[C@H](Oc1ccccc1)C(=O)Nc1cccc2c1CCCC2 ZINC000001170348 169691037 /nfs/dbraw/zinc/69/10/37/169691037.db2.gz PFUOBXUFHURHNO-AWEZNQCLSA-N 0 0 295.382 3.971 50 0 CHAARN CCN(Cc1ccccc1)C(=O)c1ccccc1C ZINC000001230410 169692226 /nfs/dbraw/zinc/69/22/26/169692226.db2.gz YDZKXFVWJQBRDV-UHFFFAOYSA-N 0 0 253.345 3.657 50 0 CHAARN O=C(Nc1nnc(C2CCCCC2)s1)c1cccs1 ZINC000001278305 169693741 /nfs/dbraw/zinc/69/37/41/169693741.db2.gz FYOGLJTWSQKRSO-UHFFFAOYSA-N 0 0 293.417 3.900 50 0 CHAARN CC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1 ZINC000002744480 169824849 /nfs/dbraw/zinc/82/48/49/169824849.db2.gz BARIIFZXUOIJGU-ZDUSSCGKSA-N 0 0 251.757 3.745 50 0 CHAARN CO[C@H](C)c1nc(CNc2ccc(F)c(F)c2)cs1 ZINC000095412861 184971647 /nfs/dbraw/zinc/97/16/47/184971647.db2.gz ACGIOIJXAQGJMV-MRVPVSSYSA-N 0 0 284.331 3.741 50 0 CHAARN Cc1nn(-c2ccccc2)c(C)c1Cc1ccc(O)cc1 ZINC000001390850 169699455 /nfs/dbraw/zinc/69/94/55/169699455.db2.gz OGWWPFKGGKBQIC-UHFFFAOYSA-N 0 0 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CC(C)CCNC(=O)c1csc2c1CCCCC2 ZINC000005070356 170063731 /nfs/dbraw/zinc/06/37/31/170063731.db2.gz AJMSAWCTPSTGOD-UHFFFAOYSA-N 0 0 265.422 3.793 50 0 CHAARN CCc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2 ZINC000005072892 170064235 /nfs/dbraw/zinc/06/42/35/170064235.db2.gz UMZZVTSJEDQXIC-UHFFFAOYSA-N 0 0 294.398 3.757 50 0 biogenic CHAARN CSc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2 ZINC000005092581 170065844 /nfs/dbraw/zinc/06/58/44/170065844.db2.gz SFNOIVQCMOVNJN-UHFFFAOYSA-N 0 0 298.411 3.527 50 0 biogenic CHAARN CC(C)(C)c1ccc(/C=C/C(=O)n2cccn2)cc1 ZINC000005094125 170065908 /nfs/dbraw/zinc/06/59/08/170065908.db2.gz XQGYTQJKPXGUFA-JXMROGBWSA-N 0 0 254.333 3.534 50 0 CHAARN COc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 ZINC000005110289 170066725 /nfs/dbraw/zinc/06/67/25/170066725.db2.gz MFWCMQAWWCHFNY-UHFFFAOYSA-N 0 0 292.338 3.738 50 0 CHAARN Cc1cc(C)c(NC(=O)COc2ccccc2F)c(C)c1 ZINC000005105054 170066802 /nfs/dbraw/zinc/06/68/02/170066802.db2.gz PLKNQXMZEXXNDX-UHFFFAOYSA-N 0 0 287.334 3.768 50 0 CHAARN 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518199139 /nfs/dbraw/zinc/19/91/39/518199139.db2.gz FQTSFFUGMWAVSE-UHFFFAOYSA-N 0 0 284.746 3.933 50 0 CHAARN O=C(Nc1nccs1)c1cc2ccccc2s1 ZINC000007787247 534476291 /nfs/dbraw/zinc/47/62/91/534476291.db2.gz LMQZJJIODNNGQA-UHFFFAOYSA-N 0 0 260.343 3.610 50 0 CHAARN CCOc1ccc([C@H](C)NC(=O)c2cccs2)cc1 ZINC000013329302 521256270 /nfs/dbraw/zinc/25/62/70/521256270.db2.gz GRUZSQGZTRTCEQ-NSHDSACASA-N 0 0 275.373 3.638 50 0 CHAARN CN(C)c1ccc(N=c2sc3ccccc3n2C)cc1 ZINC000252666784 522219161 /nfs/dbraw/zinc/21/91/61/522219161.db2.gz CFYDYDSEOZWOKG-UHFFFAOYSA-N 0 0 283.400 3.538 50 0 CHAARN CC[C@@H](C)Oc1cccc(N[C@H](C)c2cnn(C)c2)c1 ZINC000051780140 522271417 /nfs/dbraw/zinc/27/14/17/522271417.db2.gz DVGXQZYIHQTBJR-CHWSQXEVSA-N 0 0 273.380 3.771 50 0 CHAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 ZINC000239338642 522429199 /nfs/dbraw/zinc/42/91/99/522429199.db2.gz KWNRKRLIBIWIRX-ZIAGYGMSSA-N 0 0 295.448 3.763 50 0 CHAARN Clc1ccc(-c2nnn(C/C=C\c3ccccc3)n2)cc1 ZINC000096449083 534635128 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/nfs/dbraw/zinc/99/40/38/566994038.db2.gz WARPCFHIUJAEMU-UHFFFAOYSA-N 0 0 280.418 3.783 50 0 CHAARN CC(C)n1cnc2cc(CNC(=O)C3CCCCC3)ccc21 ZINC000064754903 566994674 /nfs/dbraw/zinc/99/46/74/566994674.db2.gz PAKRIJQXQKDSGL-UHFFFAOYSA-N 0 0 299.418 3.814 50 0 CHAARN CCN(Cc1cccs1)C(=O)c1ccccc1F ZINC000037976534 566995813 /nfs/dbraw/zinc/99/58/13/566995813.db2.gz XQTFNNMKLLUSMJ-UHFFFAOYSA-N 0 0 263.337 3.550 50 0 CHAARN Cc1ccccc1-c1cncc(C(=O)N2CCCCC2)c1 ZINC000036346865 566996103 /nfs/dbraw/zinc/99/61/03/566996103.db2.gz BPSSFYIAWFCRIT-UHFFFAOYSA-N 0 0 280.371 3.683 50 0 CHAARN O=C(NC1CCCCC1)c1cc2ccccc2cc1O ZINC000001670127 566996970 /nfs/dbraw/zinc/99/69/70/566996970.db2.gz XMCXTRGQLIANRN-UHFFFAOYSA-N 0 0 269.344 3.608 50 0 CHAARN Cc1ccc(NC(=O)N2CCOc3ccccc32)c(C)c1 ZINC000006842531 566999268 /nfs/dbraw/zinc/99/92/68/566999268.db2.gz HYFFYUUBHKIINL-UHFFFAOYSA-N 0 0 282.343 3.734 50 0 CHAARN O=C(NCc1ncc(-c2ccccc2)o1)C1CCCCC1 ZINC000036394599 567002038 /nfs/dbraw/zinc/00/20/38/567002038.db2.gz 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Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2)cc1 ZINC000000578849 567833894 /nfs/dbraw/zinc/83/38/94/567833894.db2.gz UVYYWZXPQLQMRK-VAWYXSNFSA-N 0 0 296.395 3.521 50 0 CHAARN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)c(C)c1 ZINC000000575918 567833993 /nfs/dbraw/zinc/83/39/93/567833993.db2.gz SXNKOIYZOLSHOY-UHFFFAOYSA-N 0 0 295.791 3.758 50 0 CHAARN Cc1ccc(C)c(NS(=O)(=O)c2cc(C)ccc2C)c1 ZINC000000608854 567834171 /nfs/dbraw/zinc/83/41/71/567834171.db2.gz DGGSUNSJCPMYRX-UHFFFAOYSA-N 0 0 289.400 3.721 50 0 CHAARN C[C@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000000617759 567834350 /nfs/dbraw/zinc/83/43/50/567834350.db2.gz XRQZRQODBILACV-AWEZNQCLSA-N 0 0 267.372 3.641 50 0 CHAARN C[C@H](CC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000000617801 567834509 /nfs/dbraw/zinc/83/45/09/567834509.db2.gz SXTRFJRVKOWQPO-CYBMUJFWSA-N 0 0 297.354 3.590 50 0 CHAARN CSc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000000614767 567834512 /nfs/dbraw/zinc/83/45/12/567834512.db2.gz XFOOCJZLOKVLJE-GFCCVEGCSA-N 0 0 271.385 3.900 50 0 CHAARN Cc1ccc(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000000620053 567834666 /nfs/dbraw/zinc/83/46/66/567834666.db2.gz FOKGSTRHETVAOS-ZIAGYGMSSA-N 0 0 277.433 3.592 50 0 CHAARN Fc1ccc(NC(=S)Nc2cccc(F)c2)cc1 ZINC000000619708 567834658 /nfs/dbraw/zinc/83/46/58/567834658.db2.gz UNFXJIYGQVDTKP-UHFFFAOYSA-N 0 0 264.300 3.774 50 0 CHAARN CSc1ccccc1NC(=O)c1ccc(C)cc1 ZINC000000621579 567834719 /nfs/dbraw/zinc/83/47/19/567834719.db2.gz QEQDYQBHLWBQKK-UHFFFAOYSA-N 0 0 257.358 3.969 50 0 CHAARN CCn1cnc2cc(NC(=O)c3ccc(C)cc3)ccc21 ZINC000000617938 567834762 /nfs/dbraw/zinc/83/47/62/567834762.db2.gz LSSRZJSXDQKXCH-UHFFFAOYSA-N 0 0 279.343 3.617 50 0 CHAARN Cc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 ZINC000000618695 567834802 /nfs/dbraw/zinc/83/48/02/567834802.db2.gz CAUGMLBAIGHTNK-NSHDSACASA-N 0 0 286.400 3.829 50 0 CHAARN COc1ccc(NC(=S)Nc2cccc(F)c2)cc1 ZINC000000619526 567834806 /nfs/dbraw/zinc/83/48/06/567834806.db2.gz HRKZPYOHDDXZDP-UHFFFAOYSA-N 0 0 276.336 3.643 50 0 CHAARN CCN(CC)c1ccc(C=O)c(OCc2ccccc2)c1 ZINC000000619364 567834848 /nfs/dbraw/zinc/83/48/48/567834848.db2.gz SHLWAEUNKOVQMZ-UHFFFAOYSA-N 0 0 283.371 3.924 50 0 CHAARN C[C@@H](NC(=S)Nc1ccccc1)c1cccs1 ZINC000000858583 567834934 /nfs/dbraw/zinc/83/49/34/567834934.db2.gz VPBKMESCEAYGDR-SNVBAGLBSA-N 0 0 262.403 3.796 50 0 CHAARN CC(C)c1ccc(OCC(=O)N(C)c2ccccc2)cc1 ZINC000000859990 567834978 /nfs/dbraw/zinc/83/49/78/567834978.db2.gz JWAVTPNKZBALAV-UHFFFAOYSA-N 0 0 283.371 3.852 50 0 CHAARN Oc1ccc(-c2csc(NCc3ccco3)n2)cc1 ZINC000000813369 567835147 /nfs/dbraw/zinc/83/51/47/567835147.db2.gz GQFSIHBLKPAWTG-UHFFFAOYSA-N 0 0 272.329 3.721 50 0 CHAARN COc1ccc(-c2nnc(SCC=C(C)C)o2)cc1 ZINC000001008849 567835260 /nfs/dbraw/zinc/83/52/60/567835260.db2.gz YCCSMYOMZGNIOJ-UHFFFAOYSA-N 0 0 276.361 3.804 50 0 CHAARN O=C(NCc1ccccc1F)c1csc2ccccc12 ZINC000001053697 567835635 /nfs/dbraw/zinc/83/56/35/567835635.db2.gz CXQKANHCJKNNSO-UHFFFAOYSA-N 0 0 285.343 3.970 50 0 CHAARN CCNC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000001054423 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567848479 /nfs/dbraw/zinc/84/84/79/567848479.db2.gz CPOBWFKXXRNQFC-UHFFFAOYSA-N 0 0 275.131 3.519 50 0 CHAARN Cc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000002647425 567848677 /nfs/dbraw/zinc/84/86/77/567848677.db2.gz MJFUIBDMHXXKJS-UHFFFAOYSA-N 0 0 265.234 3.665 50 0 CHAARN CCCCCc1ccc(C(=O)CCC(=O)OCC)cc1 ZINC000002580377 567848743 /nfs/dbraw/zinc/84/87/43/567848743.db2.gz RILMNOLQUNDRCN-UHFFFAOYSA-N 0 0 276.376 3.945 50 0 CHAARN O=C(CSc1ccccc1)NCCCc1ccccc1 ZINC000002636169 567848901 /nfs/dbraw/zinc/84/89/01/567848901.db2.gz VVFRPBLSMPMMIV-UHFFFAOYSA-N 0 0 285.412 3.528 50 0 CHAARN CCCCOCCCNC(=O)C[C@H](C)c1ccccc1 ZINC000002743527 567849033 /nfs/dbraw/zinc/84/90/33/567849033.db2.gz YCNSKDIRTUCLJW-HNNXBMFYSA-N 0 0 277.408 3.503 50 0 CHAARN COc1ccc(CCC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000002757047 567849088 /nfs/dbraw/zinc/84/90/88/567849088.db2.gz OUKBPHUSPBTWJK-UHFFFAOYSA-N 0 0 299.370 3.584 50 0 CHAARN O=C(CSc1ccc2ccccc2c1)N1CCCC1 ZINC000002846142 567849814 /nfs/dbraw/zinc/84/98/14/567849814.db2.gz 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CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccnc(F)c1 ZINC000041039536 567890717 /nfs/dbraw/zinc/89/07/17/567890717.db2.gz AMPKLIACPHOENE-OLZOCXBDSA-N 0 0 278.371 3.555 50 0 CHAARN C[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000041781447 567891425 /nfs/dbraw/zinc/89/14/25/567891425.db2.gz MRZBUOODBGGOHT-SNVBAGLBSA-N 0 0 271.282 3.720 50 0 CHAARN FC(F)(F)Oc1ccc(-c2n[nH]cc2Cl)cc1 ZINC000042415084 567891683 /nfs/dbraw/zinc/89/16/83/567891683.db2.gz XNMSPIQCWXYFAA-UHFFFAOYSA-N 0 0 262.618 3.629 50 0 CHAARN Cc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1C ZINC000043210454 567892404 /nfs/dbraw/zinc/89/24/04/567892404.db2.gz ZAAZPLQLZPHNTA-UHFFFAOYSA-N 0 0 288.368 3.641 50 0 CHAARN CCOc1ccccc1-c1nc2c[nH]n([C@@H](C)C3CC3)c-2n1 ZINC000048087878 567892741 /nfs/dbraw/zinc/89/27/41/567892741.db2.gz JZOLIGOSWPVNAD-NSHDSACASA-N 0 0 296.374 3.796 50 0 CHAARN COc1ccccc1NC(=O)c1cc2cc(C)ccc2n1C ZINC000048512654 567892803 /nfs/dbraw/zinc/89/28/03/567892803.db2.gz SWTBWPGMDUPTRD-UHFFFAOYSA-N 0 0 294.354 3.748 50 0 CHAARN C[C@H]1CC(C)(C)c2c1c(N)ccc2Br ZINC000306198060 567893882 /nfs/dbraw/zinc/89/38/82/567893882.db2.gz UMGVSEGDDIIYBG-ZETCQYMHSA-N 0 0 254.171 3.816 50 0 CHAARN O=C(Cc1cccnc1)N(c1cccc(F)c1)C1CCCC1 ZINC000095411518 567894077 /nfs/dbraw/zinc/89/40/77/567894077.db2.gz AFAIJAYETUYMEE-UHFFFAOYSA-N 0 0 298.361 3.739 50 0 CHAARN Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CSCCS1 ZINC000075567868 567894594 /nfs/dbraw/zinc/89/45/94/567894594.db2.gz DUEMRXZUETURKC-ZDUSSCGKSA-N 0 0 295.473 3.906 50 0 CHAARN O=C1C[C@@H](c2ccccc2)c2c(n[nH]c2-c2ccccc2)O1 ZINC000004626281 567895092 /nfs/dbraw/zinc/89/50/92/567895092.db2.gz RJUARKZSTIIMBO-AWEZNQCLSA-N 0 0 290.322 3.518 50 0 CHAARN COc1ccccc1NC(C)=CC(=O)Nc1ccccc1 ZINC000072333479 567895128 /nfs/dbraw/zinc/89/51/28/567895128.db2.gz GXEBQOHGHOYXIW-SEYXRHQNSA-N 0 0 282.343 3.650 50 0 CHAARN Cc1ccccc1C[S@@](=O)Cc1cccc(F)c1 ZINC000058168085 567895361 /nfs/dbraw/zinc/89/53/61/567895361.db2.gz XOUPWCWZLJMTBP-GOSISDBHSA-N 0 0 262.349 3.583 50 0 CHAARN Cc1noc(C)c1NC(=O)CCSc1ccccc1F ZINC000058201142 567895394 /nfs/dbraw/zinc/89/53/94/567895394.db2.gz UHSRSQDCBZJUIV-UHFFFAOYSA-N 0 0 294.351 3.551 50 0 CHAARN C[C@H](S[C@H]1CCCc2ccccc21)C(=O)N1CCCC1 ZINC000058017921 567895485 /nfs/dbraw/zinc/89/54/85/567895485.db2.gz LAQSESNANADXLH-BBRMVZONSA-N 0 0 289.444 3.808 50 0 CHAARN Cc1cccc(-n2ccnc2S[C@H]2CCCCC2=O)c1 ZINC000058055505 567895565 /nfs/dbraw/zinc/89/55/65/567895565.db2.gz VRQULJMETQAPTG-HNNXBMFYSA-N 0 0 286.400 3.785 50 0 CHAARN Cc1ccc(CC(=O)N[C@@]2(C)CCCc3ccccc32)cc1 ZINC000058330074 567895700 /nfs/dbraw/zinc/89/57/00/567895700.db2.gz WLDWWIZLLPNATP-FQEVSTJZSA-N 0 0 293.410 3.905 50 0 CHAARN O=C(c1cccc(Cl)c1)N(Cc1ccccn1)C1CC1 ZINC000058264360 567895706 /nfs/dbraw/zinc/89/57/06/567895706.db2.gz ANJNSQBIZHGICX-UHFFFAOYSA-N 0 0 286.762 3.540 50 0 CHAARN COc1ccc(C)cc1-c1csc(-c2cnccn2)n1 ZINC000058244072 567895716 /nfs/dbraw/zinc/89/57/16/567895716.db2.gz KCRNQBFZAUEUBP-UHFFFAOYSA-N 0 0 283.356 3.584 50 0 CHAARN c1c2ccccc2[nH]c1CNc1nc2ccccc2o1 ZINC000058544096 567895847 /nfs/dbraw/zinc/89/58/47/567895847.db2.gz KTYYKKOJFMEVFT-UHFFFAOYSA-N 0 0 263.300 3.921 50 0 CHAARN CCN(CCC(F)(F)F)C(=O)CCc1ccc(F)cc1 ZINC000058404889 567895968 /nfs/dbraw/zinc/89/59/68/567895968.db2.gz UCXWEJXPKNSYKF-UHFFFAOYSA-N 0 0 291.288 3.559 50 0 CHAARN C[C@H]1C[C@H](C)CN(c2ccnc(-c3ccccc3)n2)C1 ZINC000058307495 567896089 /nfs/dbraw/zinc/89/60/89/567896089.db2.gz KUPKGYGNEDCHNL-KBPBESRZSA-N 0 0 267.376 3.626 50 0 CHAARN CCOc1c(Cl)cccc1NCc1cc(C)on1 ZINC000060087726 567896635 /nfs/dbraw/zinc/89/66/35/567896635.db2.gz WAQUBDHXAYRQDI-UHFFFAOYSA-N 0 0 266.728 3.647 50 0 CHAARN Cc1nc(Cl)cc(Oc2ccc3ncccc3c2)n1 ZINC000060372368 567896885 /nfs/dbraw/zinc/89/68/85/567896885.db2.gz VCKDIZLNOPFTEY-UHFFFAOYSA-N 0 0 271.707 3.779 50 0 CHAARN Cc1cccc(NC2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1 ZINC000096420984 567897090 /nfs/dbraw/zinc/89/70/90/567897090.db2.gz ARVDXOXVQMDDFW-MRXNPFEDSA-N 0 0 298.430 3.754 50 0 CHAARN O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(F)cc1F ZINC000011204618 567897301 /nfs/dbraw/zinc/89/73/01/567897301.db2.gz OHRQUFDFWOOPLA-MRXNPFEDSA-N 0 0 287.309 3.846 50 0 CHAARN FC(F)(Br)C(Cl)(Cl)Br ZINC000063148422 567897505 /nfs/dbraw/zinc/89/75/05/567897505.db2.gz JZIAAMATGHHTAT-UHFFFAOYSA-N 0 0 292.732 3.500 50 0 CHAARN CC(C)(C)c1ccc(C(=O)CSc2nncs2)cc1 ZINC000060385586 567897692 /nfs/dbraw/zinc/89/76/92/567897692.db2.gz ATNNAOUCIVSHAH-UHFFFAOYSA-N 0 0 292.429 3.811 50 0 CHAARN c1cnn(-c2cccc(-c3[nH]cnc3-c3ccccc3)c2)c1 ZINC000065384810 567898405 /nfs/dbraw/zinc/89/84/05/567898405.db2.gz MFQKJZOOEGPMKK-UHFFFAOYSA-N 0 0 286.338 3.929 50 0 CHAARN COc1ccc(-c2ccc(O)c(Cl)c2)cc1F ZINC000065343309 567898469 /nfs/dbraw/zinc/89/84/69/567898469.db2.gz BGJSWYUYDPQDAA-UHFFFAOYSA-N 0 0 252.672 3.860 50 0 CHAARN CCC(=O)NCc1ccccc1-c1cnc2ccccc2c1 ZINC000065374603 567898475 /nfs/dbraw/zinc/89/84/75/567898475.db2.gz UTWAEKWKGONUEM-UHFFFAOYSA-N 0 0 290.366 3.928 50 0 CHAARN CCc1c(-c2ccccc2)ncn1Cc1c(C)noc1C ZINC000065394997 567899122 /nfs/dbraw/zinc/89/91/22/567899122.db2.gz IFIPGLAUWKLAAM-UHFFFAOYSA-N 0 0 281.359 3.766 50 0 CHAARN CCc1nc2ccccc2n1[C@@H](CC)c1n[nH]c(C2CC2)n1 ZINC000065417556 567899182 /nfs/dbraw/zinc/89/91/82/567899182.db2.gz SRKOICDWQMZFFT-ZDUSSCGKSA-N 0 0 295.390 3.594 50 0 CHAARN Fc1ccc(Br)c(CC(F)(F)F)c1 ZINC000066323218 567899854 /nfs/dbraw/zinc/89/98/54/567899854.db2.gz VDKXBQCWYHXJNB-UHFFFAOYSA-N 0 0 257.024 3.693 50 0 CHAARN Cc1cccc2c(=O)c(CNc3ccccc3)c(C)[nH]c12 ZINC000067620742 567900019 /nfs/dbraw/zinc/90/00/19/567900019.db2.gz VPSRQILEVPZBOK-UHFFFAOYSA-N 0 0 278.355 3.757 50 0 CHAARN CNC(=O)c1cccc(-c2ccccc2OC(C)C)c1 ZINC000067490889 567900062 /nfs/dbraw/zinc/90/00/62/567900062.db2.gz KTEHYSCKFXAWGI-UHFFFAOYSA-N 0 0 269.344 3.500 50 0 CHAARN C/C=C/CC(=O)N[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000067867329 567900767 /nfs/dbraw/zinc/90/07/67/567900767.db2.gz QJEVHLQKBPEVBF-IHVVCDCBSA-N 0 0 283.371 3.992 50 0 CHAARN Cc1ccc(Br)c(F)c1Br ZINC000067802774 567900824 /nfs/dbraw/zinc/90/08/24/567900824.db2.gz YSXAHLUYDGBNSW-UHFFFAOYSA-N 0 0 267.923 3.659 50 0 CHAARN Cc1ccc(F)cc1CNCc1nc2c(ccc(C)c2C)[nH]1 ZINC000067955993 567901025 /nfs/dbraw/zinc/90/10/25/567901025.db2.gz IBXMISZHRFJJEX-UHFFFAOYSA-N 0 0 297.377 3.917 50 0 CHAARN CCC(=O)N1CCC(c2n[nH]cc2-c2cccc(C)c2)CC1 ZINC000067935372 567901135 /nfs/dbraw/zinc/90/11/35/567901135.db2.gz NPRHKEDQUYXJLR-UHFFFAOYSA-N 0 0 297.402 3.501 50 0 CHAARN Fc1cc(Br)cc2ccc(Cl)nc12 ZINC000070054995 567901406 /nfs/dbraw/zinc/90/14/06/567901406.db2.gz XMXDSJZDUGDXQD-UHFFFAOYSA-N 0 0 260.493 3.790 50 0 CHAARN CCc1cc(Cn2ccnc2-c2ccccc2SC)on1 ZINC000071776974 567902081 /nfs/dbraw/zinc/90/20/81/567902081.db2.gz MLCFOJJJDKZBSJ-UHFFFAOYSA-N 0 0 299.399 3.871 50 0 CHAARN Fc1cccc(F)c1CN1CCC(c2ccncc2)CC1 ZINC000072435394 567902432 /nfs/dbraw/zinc/90/24/32/567902432.db2.gz YBNZSBBUSLMKGC-UHFFFAOYSA-N 0 0 288.341 3.739 50 0 CHAARN COc1ccc2[nH]c([C@H](O)c3ccc(C)cc3)c(C)c2c1 ZINC000072434035 567902520 /nfs/dbraw/zinc/90/25/20/567902520.db2.gz TXMGOMUIROZCSV-GOSISDBHSA-N 0 0 281.355 3.875 50 0 CHAARN O=C(c1ccc(Cl)cc1)N(Cc1nccs1)C1CC1 ZINC000074795881 567903671 /nfs/dbraw/zinc/90/36/71/567903671.db2.gz FKKMLCNXFAAXAI-UHFFFAOYSA-N 0 0 292.791 3.601 50 0 CHAARN CCN(C(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000075245255 567903775 /nfs/dbraw/zinc/90/37/75/567903775.db2.gz WWZSJVHICZYEPW-UHFFFAOYSA-N 0 0 261.271 3.632 50 0 CHAARN Cc1ccc(OC(=O)c2ncccc2C(F)(F)F)cc1 ZINC000092247549 567904208 /nfs/dbraw/zinc/90/42/08/567904208.db2.gz LDNOQJYZZBKGMJ-UHFFFAOYSA-N 0 0 281.233 3.628 50 0 CHAARN CC[C@@H](c1ccccc1)[S@@](=O)Cc1nc(C)c(C)o1 ZINC000097083631 567904228 /nfs/dbraw/zinc/90/42/28/567904228.db2.gz KNDFGTMXAUBJBN-IFXJQAMLSA-N 0 0 277.389 3.691 50 0 CHAARN Cc1nc(CN[C@H](C)c2cc3cc(Cl)ccc3o2)no1 ZINC000097112288 567904471 /nfs/dbraw/zinc/90/44/71/567904471.db2.gz CESONMLCMNEFRV-MRVPVSSYSA-N 0 0 291.738 3.628 50 0 CHAARN CC(C)[C@@H](C)[S@](=O)Cc1ncc(Cl)cc1Cl ZINC000097148237 567904926 /nfs/dbraw/zinc/90/49/26/567904926.db2.gz RTQCOHWWEMIGQO-BCTVWOGZSA-N 0 0 280.220 3.682 50 0 CHAARN O=C(c1ccoc1)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000077439532 567905539 /nfs/dbraw/zinc/90/55/39/567905539.db2.gz AFDAUYJOQRCCLA-OAHLLOKOSA-N 0 0 273.307 3.786 50 0 CHAARN CC(=O)N(C)c1cccc(N[C@H]2CCc3ccccc32)c1 ZINC000097231977 567905981 /nfs/dbraw/zinc/90/59/81/567905981.db2.gz HLHDOGRZYVSAEE-SFHVURJKSA-N 0 0 280.371 3.769 50 0 CHAARN C[C@@H](NCc1csc([C@@H]2CCCO2)n1)c1ccccc1 ZINC000097230623 567906028 /nfs/dbraw/zinc/90/60/28/567906028.db2.gz QYGZJYLBWIKXPZ-DOMZBBRYSA-N 0 0 288.416 3.845 50 0 CHAARN Cc1sc(NC(=O)c2ccncc2)nc1-c1ccccc1 ZINC000000063207 567906476 /nfs/dbraw/zinc/90/64/76/567906476.db2.gz VPLLUDJRXDCJOT-UHFFFAOYSA-N 0 0 295.367 3.766 50 0 CHAARN CC(C)COC(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000000062303 567906498 /nfs/dbraw/zinc/90/64/98/567906498.db2.gz WRIWAXOEQQGSHE-UHFFFAOYSA-N 0 0 297.354 3.752 50 0 CHAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)CCc1ccccc1 ZINC000033269873 567906533 /nfs/dbraw/zinc/90/65/33/567906533.db2.gz SEGIVKGGICQSOV-INIZCTEOSA-N 0 0 298.386 3.588 50 0 CHAARN CCOc1ccc(C(=O)n2cnc3cc(C)c(C)cc32)cc1 ZINC000000068076 567906836 /nfs/dbraw/zinc/90/68/36/567906836.db2.gz MKOTUZBJKZUTOS-UHFFFAOYSA-N 0 0 294.354 3.740 50 0 CHAARN CCOc1ccccc1C(=O)Nc1nc2ccccc2s1 ZINC000000076455 567907456 /nfs/dbraw/zinc/90/74/56/567907456.db2.gz PDWKVJUSYNWYDB-UHFFFAOYSA-N 0 0 298.367 3.947 50 0 CHAARN Cc1cc(C)cc(NC(=O)[C@H]2Cc3ccccc3S2)c1 ZINC000011424738 567908165 /nfs/dbraw/zinc/90/81/65/567908165.db2.gz LRNAOORZJUNLJD-MRXNPFEDSA-N 0 0 283.396 3.959 50 0 CHAARN Cc1ccc2[nH]cc(-c3n[nH]c(C(C)(C)C)n3)c2c1 ZINC000426425091 567908737 /nfs/dbraw/zinc/90/87/37/567908737.db2.gz ABMIEDOXPHBKII-UHFFFAOYSA-N 0 0 254.337 3.559 50 0 CHAARN Cc1ccc(Cl)cc1N[C@@H]1OC(=O)c2ccccc21 ZINC000000091761 567908804 /nfs/dbraw/zinc/90/88/04/567908804.db2.gz PHIJICDQJGQSRT-CQSZACIVSA-N 0 0 273.719 3.930 50 0 CHAARN Cc1ccc(N[C@@H]2OC(=O)c3ccccc32)cc1Cl ZINC000000091772 567908886 /nfs/dbraw/zinc/90/88/86/567908886.db2.gz IXPPVUQIWPKNCA-CQSZACIVSA-N 0 0 273.719 3.930 50 0 CHAARN C[C@@]12CCCC[C@H]1c1c3ccccc3ccc1C(=O)N2 ZINC000000093587 567908959 /nfs/dbraw/zinc/90/89/59/567908959.db2.gz WATQVSNWFYICCW-MAUKXSAKSA-N 0 0 265.356 4.000 50 0 CHAARN Fc1cc(Br)cc(OC(F)(F)Cl)c1 ZINC000095215448 567908971 /nfs/dbraw/zinc/90/89/71/567908971.db2.gz VKQWSIQYWUSOFY-UHFFFAOYSA-N 0 0 275.451 3.756 50 0 CHAARN Fc1c(Br)cccc1OC(F)(F)Cl ZINC000095215573 567909017 /nfs/dbraw/zinc/90/90/17/567909017.db2.gz UWWWJKUMJRMDEW-UHFFFAOYSA-N 0 0 275.451 3.756 50 0 CHAARN Cc1c(C)c(NC(=O)c2ccccc2Cl)ccc1O ZINC000000092316 567909052 /nfs/dbraw/zinc/90/90/52/567909052.db2.gz IEQJKYKTQCMIKD-UHFFFAOYSA-N 0 0 275.735 3.915 50 0 CHAARN Cc1ccc([C@@H]2Cc3[nH]nc(-c4ccccc4)c3C(=O)C2)o1 ZINC000095117746 567909061 /nfs/dbraw/zinc/90/90/61/567909061.db2.gz HSZPXSHARFKNLX-CYBMUJFWSA-N 0 0 292.338 3.891 50 0 CHAARN Cc1cccc(NC(=O)c2cc(F)ccc2F)c1F ZINC000095067916 567909186 /nfs/dbraw/zinc/90/91/86/567909186.db2.gz BGNHVRNCRLREAB-UHFFFAOYSA-N 0 0 265.234 3.665 50 0 CHAARN CCCCn1nc(C2CCCC2)nc1[C@@]1(C)CCCO1 ZINC000096161388 567909671 /nfs/dbraw/zinc/90/96/71/567909671.db2.gz WAROBRPOHOOVQE-MRXNPFEDSA-N 0 0 277.412 3.761 50 0 CHAARN CCN(CC)C(=O)c1ccc(-c2ccncc2C)cc1 ZINC000096137528 567909857 /nfs/dbraw/zinc/90/98/57/567909857.db2.gz AJBQNDKIBSJEDP-UHFFFAOYSA-N 0 0 268.360 3.539 50 0 CHAARN CC(C)CCn1cc(-c2ccc3nc([C@@H](C)O)[nH]c3c2)cn1 ZINC000096152770 567909900 /nfs/dbraw/zinc/90/99/00/567909900.db2.gz XRIMSLCONTVPAJ-GFCCVEGCSA-N 0 0 298.390 3.526 50 0 CHAARN CC(=O)Nc1cc(NCc2cccnc2C)ccc1Cl ZINC000095447297 567910115 /nfs/dbraw/zinc/91/01/15/567910115.db2.gz FJLSJHRBZKVKQZ-UHFFFAOYSA-N 0 0 289.766 3.614 50 0 CHAARN CCCc1nn2c(nnc2-c2cc3ccccc3o2)s1 ZINC000096194055 567910194 /nfs/dbraw/zinc/91/01/94/567910194.db2.gz CQRKGIKVOFBXEX-UHFFFAOYSA-N 0 0 284.344 3.552 50 0 CHAARN C[C@@H]1CCCc2sc3nc(=S)sc(N)c3c21 ZINC000100058201 567910577 /nfs/dbraw/zinc/91/05/77/567910577.db2.gz ZQFMOXIIUTZOPM-RXMQYKEDSA-N 0 0 268.432 3.940 50 0 CHAARN CSCC1CCN(C(=O)Nc2ccc(F)cc2C)CC1 ZINC000097425729 567910699 /nfs/dbraw/zinc/91/06/99/567910699.db2.gz JZVMOXCNYMUTKT-UHFFFAOYSA-N 0 0 296.411 3.741 50 0 CHAARN CC(C)n1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)n1 ZINC000097694972 567910759 /nfs/dbraw/zinc/91/07/59/567910759.db2.gz ONYAYHLVBPRRCP-CXAGYDPISA-N 0 0 289.423 3.505 50 0 CHAARN CSC[C@H]1CCCN(C(=O)Nc2cc(C)cc(F)c2)C1 ZINC000097744831 567910818 /nfs/dbraw/zinc/91/08/18/567910818.db2.gz BHJFLLSOYDFYRB-LBPRGKRZSA-N 0 0 296.411 3.741 50 0 CHAARN CCCC[C@@H]1C=CCN1C(=O)c1ccccc1-c1ncc[nH]1 ZINC000097681906 567910953 /nfs/dbraw/zinc/91/09/53/567910953.db2.gz HQAQOMIBLKJJJX-CQSZACIVSA-N 0 0 295.386 3.648 50 0 CHAARN COC(=O)c1cc(F)cc(-c2ccc(C)c(F)c2)c1 ZINC000097757062 567911092 /nfs/dbraw/zinc/91/10/92/567911092.db2.gz KWTDSIBCIOUYDG-UHFFFAOYSA-N 0 0 262.255 3.727 50 0 CHAARN COC[C@H]1CCCN1C(=O)c1cc(C)oc1-c1ccccc1 ZINC000097655336 567911111 /nfs/dbraw/zinc/91/11/11/567911111.db2.gz ZLYOXQXEGGCZES-OAHLLOKOSA-N 0 0 299.370 3.506 50 0 CHAARN COC(=O)c1ccc(-c2ccccc2C=O)cc1Cl ZINC000097757288 567911225 /nfs/dbraw/zinc/91/12/25/567911225.db2.gz GPIDMFDRGLEZRH-UHFFFAOYSA-N 0 0 274.703 3.606 50 0 CHAARN CCc1cccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c1 ZINC000011658472 567911236 /nfs/dbraw/zinc/91/12/36/567911236.db2.gz NNXZQMFDNDGMLJ-CYBMUJFWSA-N 0 0 299.370 3.664 50 0 CHAARN Cc1c(-c2cccc(OC(F)(F)F)c2)sc2ncnn12 ZINC000097758514 567911307 /nfs/dbraw/zinc/91/13/07/567911307.db2.gz NONVPWQHAHKJLO-UHFFFAOYSA-N 0 0 299.277 3.665 50 0 CHAARN CCc1c(Br)cccc1Br ZINC000097757730 567911426 /nfs/dbraw/zinc/91/14/26/567911426.db2.gz FROIOESJRJZRFO-UHFFFAOYSA-N 0 0 263.960 3.774 50 0 CHAARN Cc1ccc(N2C(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C2=O)c(C)c1 ZINC000100526865 567913416 /nfs/dbraw/zinc/91/34/16/567913416.db2.gz CGWXKEJBRUOWRX-GASCZTMLSA-N 0 0 283.371 3.539 50 0 CHAARN C[C@H]1Cc2ccccc2N1Cc1c[nH]nc1C(C)(C)C ZINC000095456979 567915379 /nfs/dbraw/zinc/91/53/79/567915379.db2.gz BHPQVGMVYQCASK-LBPRGKRZSA-N 0 0 269.392 3.658 50 0 CHAARN O=C(Nc1ccccc1F)c1cnc(Cl)c(Cl)c1 ZINC000014198738 567915767 /nfs/dbraw/zinc/91/57/67/567915767.db2.gz HXIAJWFRDMMDBG-UHFFFAOYSA-N 0 0 285.105 3.780 50 0 CHAARN CCOc1ccc(/N=c2/sc3ccccc3n2C)cc1 ZINC000103711018 567915795 /nfs/dbraw/zinc/91/57/95/567915795.db2.gz CPIXUTNEDABCNR-WUKNDPDISA-N 0 0 284.384 3.871 50 0 CHAARN Cc1nc(-c2ccc(NC(=O)C3=CCCCO3)cc2)oc1C ZINC000073011887 567916954 /nfs/dbraw/zinc/91/69/54/567916954.db2.gz RLCAEHGRPIYYKQ-UHFFFAOYSA-N 0 0 298.342 3.591 50 0 CHAARN c1csc(SCc2cn3ccsc3n2)c1 ZINC000072287055 567923021 /nfs/dbraw/zinc/92/30/21/567923021.db2.gz FEUCKAKMCUUTIU-UHFFFAOYSA-N 0 0 252.389 3.750 50 0 CHAARN CN1C(=O)c2cccc3c2c1c(Br)cc3Cl ZINC000000119418 567923194 /nfs/dbraw/zinc/92/31/94/567923194.db2.gz FPZHTBYMEGMLCH-UHFFFAOYSA-N 0 0 296.551 3.846 50 0 CHAARN CCc1ccc(OCc2nc(-c3cccs3)no2)cc1 ZINC000000118562 567923258 /nfs/dbraw/zinc/92/32/58/567923258.db2.gz 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297.383 3.540 50 0 CHAARN COc1ccc(Sc2nnc(-c3ccccc3)o2)cc1 ZINC000000332130 567926688 /nfs/dbraw/zinc/92/66/88/567926688.db2.gz AQMOEIHQOWLYQD-UHFFFAOYSA-N 0 0 284.340 3.896 50 0 CHAARN CC(=O)c1cccc(NC(=O)Cc2cccc(Cl)c2)c1 ZINC000049885856 567926692 /nfs/dbraw/zinc/92/66/92/567926692.db2.gz GWQQHQAKKKIOSO-UHFFFAOYSA-N 0 0 287.746 3.724 50 0 CHAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cccs1 ZINC000000326283 567926779 /nfs/dbraw/zinc/92/67/79/567926779.db2.gz GSBQBMMGVLWGCR-XYOKQWHBSA-N 0 0 289.743 3.746 50 0 CHAARN O=c1oc2ccccc2cc1-c1nnc(-c2ccccc2)o1 ZINC000000346604 567926972 /nfs/dbraw/zinc/92/69/72/567926972.db2.gz XCWSXFUBKNIMTJ-UHFFFAOYSA-N 0 0 290.278 3.510 50 0 biogenic CHAARN Cc1c(C(=O)NCc2ccncc2)oc2cc(C)cc(C)c12 ZINC000000387714 567928012 /nfs/dbraw/zinc/92/80/12/567928012.db2.gz KXDCDRYYSNMNEQ-UHFFFAOYSA-N 0 0 294.354 3.683 50 0 CHAARN CCc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1 ZINC000011750059 567928484 /nfs/dbraw/zinc/92/84/84/567928484.db2.gz FAZGIIVOSMXVRC-UHFFFAOYSA-N 0 0 279.383 3.711 50 0 CHAARN Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3ncnn32)cc1 ZINC000100817655 567928921 /nfs/dbraw/zinc/92/89/21/567928921.db2.gz OBIQXTUOYQUGFG-KRWDZBQOSA-N 0 0 288.354 3.643 50 0 CHAARN Fc1ccc(-c2ccc(N3CCCC3)nn2)cc1Cl ZINC000426475279 567929149 /nfs/dbraw/zinc/92/91/49/567929149.db2.gz AIMHTEWUWAUASV-UHFFFAOYSA-N 0 0 277.730 3.536 50 0 CHAARN CCc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000002143232 567929410 /nfs/dbraw/zinc/92/94/10/567929410.db2.gz PDAKUDZZLHMIRR-UHFFFAOYSA-N 0 0 266.555 3.558 50 0 CHAARN OCc1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000000461797 567929931 /nfs/dbraw/zinc/92/99/31/567929931.db2.gz NPUHRPGLLGBQKP-UHFFFAOYSA-N 0 0 266.699 3.550 50 0 CHAARN Cc1nc(CN[C@@H]2CC(C)(C)CCc3ccccc32)no1 ZINC000252506998 567930306 /nfs/dbraw/zinc/93/03/06/567930306.db2.gz WEXSXJPTWCWEGF-OAHLLOKOSA-N 0 0 285.391 3.571 50 0 CHAARN O=C(OCc1snc(Cl)c1Cl)c1cccs1 ZINC000253424712 567930504 /nfs/dbraw/zinc/93/05/04/567930504.db2.gz JXOBLASHFPQLKV-UHFFFAOYSA-N 0 0 294.184 3.868 50 0 CHAARN CC[C@@H](C)NC(=O)c1cc2cc3ccc(OC)cc3nc2o1 ZINC000000429120 567930537 /nfs/dbraw/zinc/93/05/37/567930537.db2.gz LSPABVWXXJVBLS-SNVBAGLBSA-N 0 0 298.342 3.518 50 0 CHAARN CCOC(=O)CSc1cc(C)nc2ccc(C)cc21 ZINC000000451449 567930972 /nfs/dbraw/zinc/93/09/72/567930972.db2.gz YJAUJELHIOXUDS-UHFFFAOYSA-N 0 0 275.373 3.507 50 0 CHAARN CN(C(=O)OC(C)(C)C)c1ccccc1Br ZINC000140857814 567931201 /nfs/dbraw/zinc/93/12/01/567931201.db2.gz PPPOYFBTHJFMTJ-UHFFFAOYSA-N 0 0 286.169 3.820 50 0 CHAARN CCc1ccc(NC(=O)Nc2ncc(C)s2)cc1 ZINC000000253563 567931265 /nfs/dbraw/zinc/93/12/65/567931265.db2.gz VFGXVEYBJZABRO-UHFFFAOYSA-N 0 0 261.350 3.658 50 0 CHAARN CC(C)Oc1ccc(NC(=O)C[C@@H]2CCCO2)c(Cl)c1 ZINC000188310647 567931588 /nfs/dbraw/zinc/93/15/88/567931588.db2.gz UPUSBXKGEAEAAX-NSHDSACASA-N 0 0 297.782 3.635 50 0 CHAARN CC(C)[C@@H](Nc1ccccc1)c1nnnn1C1CCCCC1 ZINC000001020816 567931822 /nfs/dbraw/zinc/93/18/22/567931822.db2.gz PCAFHHGIHXZEQZ-MRXNPFEDSA-N 0 0 299.422 3.988 50 0 CHAARN Cc1ccoc1C(=O)Nc1ccccc1OC(F)(F)F ZINC000046633115 567931829 /nfs/dbraw/zinc/93/18/29/567931829.db2.gz MJGCHIXKTFJITQ-UHFFFAOYSA-N 0 0 285.221 3.739 50 0 CHAARN Cc1noc(C)c1C(=O)Nc1c(Cl)cccc1Cl ZINC000061997287 567931847 /nfs/dbraw/zinc/93/18/47/567931847.db2.gz ZFGIEPDTFVKEGW-UHFFFAOYSA-N 0 0 285.130 3.851 50 0 CHAARN Cc1ccc(CC[S@@](=O)c2ccc(C(C)C)cc2)cn1 ZINC000005363958 567932779 /nfs/dbraw/zinc/93/27/79/567932779.db2.gz KFUQRCWRYCEFQN-FQEVSTJZSA-N 0 0 287.428 3.864 50 0 CHAARN O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C\c1ccco1 ZINC000015566282 567933077 /nfs/dbraw/zinc/93/30/77/567933077.db2.gz FFLSURREMQMWPN-CHHVJCJISA-N 0 0 297.354 3.792 50 0 CHAARN CCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000000139416 567935410 /nfs/dbraw/zinc/93/54/10/567935410.db2.gz GLDHHLLSOPXVKR-UHFFFAOYSA-N 0 0 269.344 3.575 50 0 CHAARN CSc1nnc(-c2ccc(Cl)cc2Cl)n1C ZINC000000124606 567935476 /nfs/dbraw/zinc/93/54/76/567935476.db2.gz IUEWWCWEHICLIM-UHFFFAOYSA-N 0 0 274.176 3.511 50 0 CHAARN CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)c1ccccc1 ZINC000000030785 567935614 /nfs/dbraw/zinc/93/56/14/567935614.db2.gz RZKRDFDQSKOWQV-INIZCTEOSA-N 0 0 297.354 3.606 50 0 CHAARN COc1ccc(OC)c(CNc2ccc3c(c2)CCC3)c1 ZINC000000279889 567936006 /nfs/dbraw/zinc/93/60/06/567936006.db2.gz HJFUOMNFUVENJI-UHFFFAOYSA-N 0 0 283.371 3.805 50 0 CHAARN Cc1ccc(C)c(OCC(=O)NC2CCCCCC2)c1 ZINC000000316679 567936017 /nfs/dbraw/zinc/93/60/17/567936017.db2.gz NBFSOBNXELOGNI-UHFFFAOYSA-N 0 0 275.392 3.521 50 0 CHAARN CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000000369207 567936055 /nfs/dbraw/zinc/93/60/55/567936055.db2.gz VUJUXUVDGRJDLR-DLBZAZTESA-N 0 0 279.339 3.631 50 0 CHAARN CC(C)CNC(=O)Nc1cccc(Cl)c1Cl ZINC000000396899 567936210 /nfs/dbraw/zinc/93/62/10/567936210.db2.gz PDKDQJUFTIQQRA-UHFFFAOYSA-N 0 0 261.152 3.771 50 0 CHAARN O=C(/C=C/c1c(F)cccc1Cl)NC1CCCCC1 ZINC000000474291 567936495 /nfs/dbraw/zinc/93/64/95/567936495.db2.gz ZSLHEZNAFRAOMD-MDZDMXLPSA-N 0 0 281.758 3.941 50 0 CHAARN COc1cccc(C(=O)COc2ccc(C)c(C)c2)c1 ZINC000000461642 567936520 /nfs/dbraw/zinc/93/65/20/567936520.db2.gz ABIBDFYSDIBFJM-UHFFFAOYSA-N 0 0 270.328 3.574 50 0 CHAARN CC(=O)c1cccc(NC(=O)c2ccc(C)cc2C)c1 ZINC000000558009 567936523 /nfs/dbraw/zinc/93/65/23/567936523.db2.gz ZOXBEPFWSKDMLW-UHFFFAOYSA-N 0 0 267.328 3.758 50 0 CHAARN Cc1occc1C(=O)Nc1cccc(Br)c1 ZINC000000473747 567936527 /nfs/dbraw/zinc/93/65/27/567936527.db2.gz MENZISOLNKKMKR-UHFFFAOYSA-N 0 0 280.121 3.603 50 0 CHAARN CCc1ccccc1NC(=O)C(Cl)(Cl)Cl ZINC000000472558 567936558 /nfs/dbraw/zinc/93/65/58/567936558.db2.gz CNQABUJSDXIUGF-UHFFFAOYSA-N 0 0 266.555 3.558 50 0 CHAARN O=C1S/C(=C\c2ccco2)C(=O)N1Cc1ccccc1 ZINC000001210105 567937073 /nfs/dbraw/zinc/93/70/73/567937073.db2.gz IBPJBGKBHKKTNI-LCYFTJDESA-N 0 0 285.324 3.516 50 0 CHAARN CC(=O)c1cccc(NC(=O)N(C)C2CCCCC2)c1 ZINC000001741626 567937355 /nfs/dbraw/zinc/93/73/55/567937355.db2.gz QMVJUSUNRYNAGJ-UHFFFAOYSA-N 0 0 274.364 3.686 50 0 CHAARN Cc1cc2c(Br)ccnc2cc1Cl ZINC000162176474 567937746 /nfs/dbraw/zinc/93/77/46/567937746.db2.gz PABPICITTJOLSO-UHFFFAOYSA-N 0 0 256.530 3.959 50 0 CHAARN Cc1ccc(NC(=O)Cc2cccc(Cl)c2)c(C)c1O ZINC000177797197 567938539 /nfs/dbraw/zinc/93/85/39/567938539.db2.gz OXORWMPCIDYHQL-UHFFFAOYSA-N 0 0 289.762 3.844 50 0 CHAARN CO[C@@H](CNC(=O)c1cccc2ccccc21)c1ccco1 ZINC000206859353 567938860 /nfs/dbraw/zinc/93/88/60/567938860.db2.gz RMBXYSKYANIHOE-KRWDZBQOSA-N 0 0 295.338 3.550 50 0 CHAARN O=C(c1ccc(Br)cc1Cl)C(F)(F)F ZINC000306452220 567938899 /nfs/dbraw/zinc/93/88/99/567938899.db2.gz MTVYLXGRYYAVTG-UHFFFAOYSA-N 0 0 287.462 3.848 50 0 CHAARN c1[nH]nc2ncnc(Nc3ccc(-c4ccccc4)cc3)c12 ZINC000018167430 567939991 /nfs/dbraw/zinc/93/99/91/567939991.db2.gz NARCBBIIPUDJIE-UHFFFAOYSA-N 0 0 287.326 3.764 50 0 CHAARN O=C(c1cc2ccccc2nc1C1CC1)C(F)(F)F ZINC000018190114 567940344 /nfs/dbraw/zinc/94/03/44/567940344.db2.gz LRAMWKZQQDIFLE-UHFFFAOYSA-N 0 0 265.234 3.857 50 0 CHAARN Cc1cccc2[nH]c3c(ncnc3N3C[C@H](C)C[C@H](C)C3)c21 ZINC000018183224 567940570 /nfs/dbraw/zinc/94/05/70/567940570.db2.gz GZLZIFHKCXYDCJ-TXEJJXNPSA-N 0 0 294.402 3.902 50 0 CHAARN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccco1 ZINC000012980262 567940914 /nfs/dbraw/zinc/94/09/14/567940914.db2.gz UJUSCEAHIYPDOF-LLVKDONJSA-N 0 0 293.775 3.900 50 0 CHAARN Fc1ccccc1[C@H]1CC(c2cccs2)=Nc2ncnn21 ZINC000101353670 567940926 /nfs/dbraw/zinc/94/09/26/567940926.db2.gz MAYLZFGBNGQABJ-CYBMUJFWSA-N 0 0 298.346 3.535 50 0 CHAARN O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccco1 ZINC000012980264 567940960 /nfs/dbraw/zinc/94/09/60/567940960.db2.gz UJUSCEAHIYPDOF-NSHDSACASA-N 0 0 293.775 3.900 50 0 CHAARN CC1=C[C@H](C)C2(COC(c3ccco3)OC2)[C@@H](C)C1 ZINC000000517869 567941958 /nfs/dbraw/zinc/94/19/58/567941958.db2.gz HDOZYLVTCNXYDZ-VRLRAXNCSA-N 0 0 262.349 3.934 50 0 biogenic CHAARN Cc1cc(C)n([C@H]2CCCC[C@H]2OC(=O)c2ccccc2)n1 ZINC000000552183 567943119 /nfs/dbraw/zinc/94/31/19/567943119.db2.gz HERYUPICABEHNB-DLBZAZTESA-N 0 0 298.386 3.841 50 0 CHAARN Cc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCCC4)cc1 ZINC000000565737 567943328 /nfs/dbraw/zinc/94/33/28/567943328.db2.gz NRSDBIOHWBJSDQ-HNNXBMFYSA-N 0 0 298.411 3.789 50 0 CHAARN Cc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000000577367 567943771 /nfs/dbraw/zinc/94/37/71/567943771.db2.gz KDOGSTJKUCNNJN-UHFFFAOYSA-N 0 0 297.379 3.949 50 0 CHAARN Cc1ccc(CC(=O)Nc2ccccc2Cl)cc1 ZINC000000578026 567943787 /nfs/dbraw/zinc/94/37/87/567943787.db2.gz FCHQDWQUFHVDAQ-UHFFFAOYSA-N 0 0 259.736 3.830 50 0 CHAARN CC(C)(C)c1csc(NC(=O)c2cc(F)cc(F)c2)n1 ZINC000003326880 567944000 /nfs/dbraw/zinc/94/40/00/567944000.db2.gz ZGWAUAQYBVWROV-UHFFFAOYSA-N 0 0 296.342 3.971 50 0 CHAARN Cc1ccc2cccc(NC(=O)c3ccccc3F)c2n1 ZINC000015835274 567944155 /nfs/dbraw/zinc/94/41/55/567944155.db2.gz UYLKVOWYEQUCGR-UHFFFAOYSA-N 0 0 280.302 3.935 50 0 CHAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C ZINC000000580061 567944489 /nfs/dbraw/zinc/94/44/89/567944489.db2.gz CXPKFDKNORLPLI-INIZCTEOSA-N 0 0 269.344 3.791 50 0 CHAARN CCC[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000000295716 567944789 /nfs/dbraw/zinc/94/47/89/567944789.db2.gz VZDCIRXTMQWXRT-INIZCTEOSA-N 0 0 253.345 3.958 50 0 CHAARN Cc1sc2nc(C)nc(NCc3ccco3)c2c1C ZINC000002655632 567945526 /nfs/dbraw/zinc/94/55/26/567945526.db2.gz OGMXJHOXJUQEIR-UHFFFAOYSA-N 0 0 273.361 3.822 50 0 CHAARN Cc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)s1 ZINC000003373267 567945668 /nfs/dbraw/zinc/94/56/68/567945668.db2.gz WXLKSWVXVOKVCZ-JYRVWZFOSA-N 0 0 287.315 3.540 50 0 CHAARN Cc1ccc2nc(CNc3ccc(Cl)cc3)cn2c1 ZINC000012062418 567945676 /nfs/dbraw/zinc/94/56/76/567945676.db2.gz PISPRNOYCSJCJN-UHFFFAOYSA-N 0 0 271.751 3.908 50 0 CHAARN CC(=O)c1sc(N[C@@H](C)c2ccccc2)nc1C ZINC000003346068 567945747 /nfs/dbraw/zinc/94/57/47/567945747.db2.gz IOUCLFJOKCPWIG-VIFPVBQESA-N 0 0 260.362 3.827 50 0 CHAARN CC1=NN(c2ccc(C(=O)Oc3ccccc3F)cc2)CC1 ZINC000045762691 567946263 /nfs/dbraw/zinc/94/62/63/567946263.db2.gz VPLGOOAKUAOAHI-UHFFFAOYSA-N 0 0 298.317 3.631 50 0 CHAARN Cc1ccc(-c2csc(-c3cnccn3)n2)cc1C ZINC000048356521 567946456 /nfs/dbraw/zinc/94/64/56/567946456.db2.gz PWOZERDKQDJPHJ-UHFFFAOYSA-N 0 0 267.357 3.884 50 0 CHAARN Cn1ncc2c1NC(=O)C[C@@H]2c1c(Cl)cccc1Cl ZINC000049545918 567946703 /nfs/dbraw/zinc/94/67/03/567946703.db2.gz YUZNFNCBVKRFQB-ZETCQYMHSA-N 0 0 296.157 3.851 50 0 CHAARN CN(Cc1cscn1)Cc1ccccc1Br ZINC000049801007 567946708 /nfs/dbraw/zinc/94/67/08/567946708.db2.gz JFPPFLQRTAFMCF-UHFFFAOYSA-N 0 0 297.221 3.538 50 0 CHAARN CC[C@@H](c1ccccn1)N(C)Cc1cc(C(C)C)no1 ZINC000216293797 567947607 /nfs/dbraw/zinc/94/76/07/567947607.db2.gz SOWVREKJCXVSJG-INIZCTEOSA-N 0 0 273.380 3.776 50 0 CHAARN Cc1cc(COC(=O)c2c(C)c(C)c(C)c(C)c2C)on1 ZINC000032829833 567948658 /nfs/dbraw/zinc/94/86/58/567948658.db2.gz RUXXKOQWYNLUGO-UHFFFAOYSA-N 0 0 287.359 3.882 50 0 CHAARN O=C(Nc1ccccc1N1CCCC1)c1ccccc1 ZINC000000463059 567950099 /nfs/dbraw/zinc/95/00/99/567950099.db2.gz WHRIPVVCGGINEX-UHFFFAOYSA-N 0 0 266.344 3.539 50 0 CHAARN C[C@@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)C1CCCCC1 ZINC000225434285 567953335 /nfs/dbraw/zinc/95/33/35/567953335.db2.gz PWWUTIDGFCHZIF-FMKPAKJESA-N 0 0 281.440 3.761 50 0 CHAARN CCC[C@H]1C[C@H]1NC(=O)c1oc2ccccc2c1C ZINC000225431536 567953503 /nfs/dbraw/zinc/95/35/03/567953503.db2.gz WOZNEIYPNKWGEO-WCQYABFASA-N 0 0 257.333 3.660 50 0 CHAARN Cc1ccc(-c2nc(C(=O)N3CCC=C(C)C3)cs2)cc1 ZINC000225499016 567953720 /nfs/dbraw/zinc/95/37/20/567953720.db2.gz WCKRLLDIQHCSII-UHFFFAOYSA-N 0 0 298.411 3.911 50 0 CHAARN CC[C@H]1CCc2ccccc2N1C(=O)NCc1cccnc1 ZINC000225450738 567953763 /nfs/dbraw/zinc/95/37/63/567953763.db2.gz RNEHNMNTISFUHI-INIZCTEOSA-N 0 0 295.386 3.523 50 0 CHAARN Fc1ccc(-c2nc(-c3cnccn3)cs2)cc1F ZINC000225457084 567953792 /nfs/dbraw/zinc/95/37/92/567953792.db2.gz UWSVENQCANPHIT-UHFFFAOYSA-N 0 0 275.283 3.545 50 0 CHAARN O=C(OC1(Cc2ccc(F)cc2)CC1)[C@H]1CC=CCC1 ZINC000225608154 567953868 /nfs/dbraw/zinc/95/38/68/567953868.db2.gz UWTWUTQKJIJILF-AWEZNQCLSA-N 0 0 274.335 3.800 50 0 CHAARN CC[C@@H]1CCCCN1c1nnc(-c2ccc(C)s2)n1C ZINC000225687538 567954864 /nfs/dbraw/zinc/95/48/64/567954864.db2.gz ISWWOETZWMLGSK-GFCCVEGCSA-N 0 0 290.436 3.621 50 0 CHAARN Cc1cc([C@@H](C)NCc2ccccc2OC(C)C)no1 ZINC000225734586 567954888 /nfs/dbraw/zinc/95/48/88/567954888.db2.gz UYFDUIIVXAYGDF-CYBMUJFWSA-N 0 0 274.364 3.621 50 0 CHAARN COc1cc(Nc2ccnc3ccccc32)cc(OC)c1 ZINC000041055599 567955857 /nfs/dbraw/zinc/95/58/57/567955857.db2.gz LANRIDJSQDQMAP-UHFFFAOYSA-N 0 0 280.327 3.996 50 0 CHAARN CCC(CC)NC(=O)C1(c2ccccc2)CCCC1 ZINC000002512736 570217619 /nfs/dbraw/zinc/21/76/19/570217619.db2.gz YNDAMNPMXLBTQF-UHFFFAOYSA-N 0 0 259.393 3.803 50 0 CHAARN COc1ccc(C)cc1NC(=O)N1CCCc2ccccc21 ZINC000006726962 570217730 /nfs/dbraw/zinc/21/77/30/570217730.db2.gz OHRUNBCTQBERAT-UHFFFAOYSA-N 0 0 296.370 3.988 50 0 CHAARN O=c1c(NCc2ccccc2)csc2ccccc21 ZINC000064555174 570220825 /nfs/dbraw/zinc/22/08/25/570220825.db2.gz XCNBDPVXXRHNFZ-UHFFFAOYSA-N 0 0 267.353 3.874 50 0 CHAARN Cc1ncc(-c2ccc(NC(=O)c3cccc(C)n3)cc2)o1 ZINC000032776574 570221886 /nfs/dbraw/zinc/22/18/86/570221886.db2.gz GHOPERMGRVBHBT-UHFFFAOYSA-N 0 0 293.326 3.606 50 0 CHAARN CC[C@H](O)c1ccccc1NC(=O)c1ccc(F)cc1 ZINC000013957425 570222653 /nfs/dbraw/zinc/22/26/53/570222653.db2.gz VOWQGYODSVOESD-HNNXBMFYSA-N 0 0 273.307 3.521 50 0 CHAARN CCc1sc(C(=O)N2CCn3cccc3[C@@H]2C)cc1C ZINC000032787015 570223031 /nfs/dbraw/zinc/22/30/31/570223031.db2.gz IWHNITAQZCRPHZ-LBPRGKRZSA-N 0 0 288.416 3.637 50 0 CHAARN Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 ZINC000024960327 570228624 /nfs/dbraw/zinc/22/86/24/570228624.db2.gz NTSGRQRROOWUQF-UHFFFAOYSA-N 0 0 295.317 3.777 50 0 CHAARN Cc1cc(CN(C)C(=O)c2cc(Cl)ccc2Cl)no1 ZINC000025139604 570229830 /nfs/dbraw/zinc/22/98/30/570229830.db2.gz ITDGXOVCSFIHLQ-UHFFFAOYSA-N 0 0 299.157 3.562 50 0 CHAARN O=C(NCCOc1ccc2ccccc2c1)C1CCCCC1 ZINC000010994963 570230983 /nfs/dbraw/zinc/23/09/83/570230983.db2.gz CITPAKJHMYUFNZ-UHFFFAOYSA-N 0 0 297.398 3.915 50 0 CHAARN Cc1occc1C(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000025711799 570231002 /nfs/dbraw/zinc/23/10/02/570231002.db2.gz DOMOEVJFWRATHK-MRXNPFEDSA-N 0 0 286.375 3.684 50 0 CHAARN Cc1ccc(CN(C(=O)c2cc(C3CC3)on2)C2CC2)cc1 ZINC000025765131 570231406 /nfs/dbraw/zinc/23/14/06/570231406.db2.gz JEJKQVYQVMCXHF-UHFFFAOYSA-N 0 0 296.370 3.665 50 0 CHAARN Cc1cccc2sc(NCc3cccnc3)nc21 ZINC000026422505 570231863 /nfs/dbraw/zinc/23/18/63/570231863.db2.gz ROFGPJMGLGXZLS-UHFFFAOYSA-N 0 0 255.346 3.612 50 0 CHAARN Cc1cc(C)cc(NC(=O)c2ccc(N(C)C)cc2)c1 ZINC000026534195 570232357 /nfs/dbraw/zinc/23/23/57/570232357.db2.gz PECVECLMOBOGRT-UHFFFAOYSA-N 0 0 268.360 3.622 50 0 CHAARN Oc1ccccc1-c1nc2scc(-c3ccccc3)n2n1 ZINC000026687905 570232679 /nfs/dbraw/zinc/23/26/79/570232679.db2.gz LLWVAORLZNLIRV-UHFFFAOYSA-N 0 0 293.351 3.830 50 0 CHAARN CCc1ccccc1NC(=O)c1cc2ccccc2[nH]1 ZINC000032992742 570234191 /nfs/dbraw/zinc/23/41/91/570234191.db2.gz YRFZRBKYDCVJQP-UHFFFAOYSA-N 0 0 264.328 3.983 50 0 CHAARN COc1cccc(C(=O)c2c(Cl)cccc2Cl)n1 ZINC000045028762 570236093 /nfs/dbraw/zinc/23/60/93/570236093.db2.gz AFHUBTIEQLCTQD-UHFFFAOYSA-N 0 0 282.126 3.628 50 0 CHAARN CCCCc1ccc(C(=O)c2cccc(OC)n2)cc1 ZINC000045028745 570236262 /nfs/dbraw/zinc/23/62/62/570236262.db2.gz YVMNMUQDDFLAQV-UHFFFAOYSA-N 0 0 269.344 3.664 50 0 CHAARN COc1ccc2c(c1)CC[C@@H]1C2=CC[C@@]2(C)[C@@H]1CC[C@@H]2O ZINC000071772571 570236846 /nfs/dbraw/zinc/23/68/46/570236846.db2.gz HAEKHUDOKPDLPV-YRXWBPOGSA-N 0 0 284.399 3.822 50 0 CHAARN Cc1cc(NC(=O)C2(c3ccccc3)CC2)cnc1Cl ZINC000072313696 570236884 /nfs/dbraw/zinc/23/68/84/570236884.db2.gz NJACLEPAZGFGPO-UHFFFAOYSA-N 0 0 286.762 3.714 50 0 CHAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(C)cc2)on1 ZINC000047323782 570237144 /nfs/dbraw/zinc/23/71/44/570237144.db2.gz KQQIYSMHTKUVRA-AWEZNQCLSA-N 0 0 285.347 3.660 50 0 CHAARN Fc1c(F)c(OC(F)F)c(F)c(F)c1Br ZINC000047203306 570237243 /nfs/dbraw/zinc/23/72/43/570237243.db2.gz JEYOJOWCZGSGSW-UHFFFAOYSA-N 0 0 294.976 3.607 50 0 CHAARN C[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@H]2O)CC(=O)CC4 ZINC000118919153 570237846 /nfs/dbraw/zinc/23/78/46/570237846.db2.gz BAZGVDKAIHZPOH-SFFUCWETSA-N 0 0 274.404 3.633 50 0 biogenic CHAARN O=c1ccc2ccccc2n1Cc1cccc2cccnc21 ZINC000074285179 570239557 /nfs/dbraw/zinc/23/95/57/570239557.db2.gz KIBNVWRBUQQMCK-UHFFFAOYSA-N 0 0 286.334 3.598 50 0 CHAARN COc1ccccc1CN(C(=O)CC1CCCC1)C1CC1 ZINC000055100171 570240658 /nfs/dbraw/zinc/24/06/58/570240658.db2.gz NTMLRICMUIQUHM-UHFFFAOYSA-N 0 0 287.403 3.767 50 0 CHAARN FC(F)(F)c1cccc(OC[C@H]2CCCCO2)c1 ZINC000065337406 570244078 /nfs/dbraw/zinc/24/40/78/570244078.db2.gz PIVAHMJYMPDCKX-GFCCVEGCSA-N 0 0 260.255 3.653 50 0 CHAARN Clc1cc(Br)cc(N2CCCC2)c1 ZINC000065337422 570244092 /nfs/dbraw/zinc/24/40/92/570244092.db2.gz ZUVZTBKZTVMAIC-UHFFFAOYSA-N 0 0 260.562 3.703 50 0 CHAARN CCc1nccn1-c1ccc(-c2ccc(O)cc2)cc1 ZINC000065528550 570244438 /nfs/dbraw/zinc/24/44/38/570244438.db2.gz BGUYJYMJMDABMB-UHFFFAOYSA-N 0 0 264.328 3.807 50 0 CHAARN CCC(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000066198144 570245160 /nfs/dbraw/zinc/24/51/60/570245160.db2.gz ATZKAXNIEBHFRO-UHFFFAOYSA-N 0 0 282.343 3.596 50 0 CHAARN C[C@H](NC(=O)c1cccnc1)c1cccc2ccccc21 ZINC000004656401 570246894 /nfs/dbraw/zinc/24/68/94/570246894.db2.gz YHDNUDCCQOADDI-ZDUSSCGKSA-N 0 0 276.339 3.726 50 0 CHAARN Cc1ccc2c(cnn2[C@H]2CCCCO2)c1Br ZINC000087493374 570253898 /nfs/dbraw/zinc/25/38/98/570253898.db2.gz QYBLJMHBINRKQM-GFCCVEGCSA-N 0 0 295.180 3.806 50 0 CHAARN CCc1nnc(COc2ccc(C(C)=O)cc2Cl)s1 ZINC000119533236 570256004 /nfs/dbraw/zinc/25/60/04/570256004.db2.gz DEWKOWZKERXOSU-UHFFFAOYSA-N 0 0 296.779 3.536 50 0 CHAARN CCCCC[C@H](C)NC(=O)Nc1ccccc1F ZINC000057580916 570259623 /nfs/dbraw/zinc/25/96/23/570259623.db2.gz SQOFJUPQOSJYTO-NSHDSACASA-N 0 0 252.333 3.916 50 0 CHAARN Cc1nc2cc(-c3ccc4[nH]c(C)nc4c3)ccc2[nH]1 ZINC000000355000 570264764 /nfs/dbraw/zinc/26/47/64/570264764.db2.gz QLFKSDSHYQVWNH-UHFFFAOYSA-N 0 0 262.316 3.723 50 0 CHAARN CCn1cc(/C=C/C(=O)Nc2ccccc2C(C)C)cn1 ZINC000000355681 570264773 /nfs/dbraw/zinc/26/47/73/570264773.db2.gz PAMWONURWLVKBS-MDZDMXLPSA-N 0 0 283.375 3.678 50 0 CHAARN CC(C)(C)CC(=O)Nc1nnc(-c2cccs2)s1 ZINC000000376591 570265891 /nfs/dbraw/zinc/26/58/91/570265891.db2.gz OYPOEZVOLGZFQV-UHFFFAOYSA-N 0 0 281.406 3.641 50 0 aggregator CHAARN C[C@@H]1CC[C@H](Nc2ccc(Cl)c(C[S@](C)=O)c2)C1 ZINC000221366529 570266148 /nfs/dbraw/zinc/26/61/48/570266148.db2.gz JMTKTTABRFRNOL-MYFIVHGGSA-N 0 0 285.840 3.819 50 0 CHAARN Cc1ccc2oc(SCc3nnc(C4CC4)o3)nc2c1 ZINC000072626756 570269311 /nfs/dbraw/zinc/26/93/11/570269311.db2.gz JZQHUZAYYXILTA-UHFFFAOYSA-N 0 0 287.344 3.689 50 0 CHAARN Cc1[nH]c(=S)sc1Cc1ccc(Cl)cc1 ZINC000003434874 570278956 /nfs/dbraw/zinc/27/89/56/570278956.db2.gz AYWHLWUPVLKZIK-UHFFFAOYSA-N 0 0 255.795 3.984 50 0 CHAARN Clc1cnccc1CN1CCCC[C@@H]1c1nccs1 ZINC000173757795 570282760 /nfs/dbraw/zinc/28/27/60/570282760.db2.gz RQQKQWRMXPVHJK-CYBMUJFWSA-N 0 0 293.823 3.919 50 0 CHAARN COc1ccc2c(=O)cc(-c3ccccc3F)oc2c1 ZINC000000520853 570285802 /nfs/dbraw/zinc/28/58/02/570285802.db2.gz HBRUOCZQTGICHR-UHFFFAOYSA-N 0 0 270.259 3.608 50 0 biogenic CHAARN O=C(Nc1ccc(F)c(F)c1)c1c[nH]c2ccccc12 ZINC000014230601 570287154 /nfs/dbraw/zinc/28/71/54/570287154.db2.gz HFGNUYQMPYETBD-UHFFFAOYSA-N 0 0 272.254 3.698 50 0 CHAARN Cc1ccc(-c2nn3c(nnc3-c3ccccc3)s2)cc1 ZINC000000553936 570287740 /nfs/dbraw/zinc/28/77/40/570287740.db2.gz VFSFFGQJXQCUCF-UHFFFAOYSA-N 0 0 292.367 3.828 50 0 CHAARN Cc1ccc(C(=O)Nc2cccc3ncccc32)cc1 ZINC000000556465 570287750 /nfs/dbraw/zinc/28/77/50/570287750.db2.gz OVLLMBXRXNEIAG-UHFFFAOYSA-N 0 0 262.312 3.796 50 0 CHAARN Fc1cccc([C@@H]2CCCN2Cc2nnsc2Cl)c1 ZINC000044976906 570294514 /nfs/dbraw/zinc/29/45/14/570294514.db2.gz JFXKWKMYBLUQAG-LBPRGKRZSA-N 0 0 297.786 3.668 50 0 CHAARN CCOc1ccc(NC(=O)N2CCCCCC2)c(C)c1 ZINC000048142099 570296109 /nfs/dbraw/zinc/29/61/09/570296109.db2.gz JIQXZLAMCWOKDL-UHFFFAOYSA-N 0 0 276.380 3.802 50 0 CHAARN Cc1ccccc1[C@H]1CCCN1Cc1nnsc1Cl ZINC000048236917 570296631 /nfs/dbraw/zinc/29/66/31/570296631.db2.gz AHFODSNXHWZQLH-CYBMUJFWSA-N 0 0 293.823 3.837 50 0 CHAARN CC(C)c1ccc(OCCNC(=O)c2ccsc2)cc1 ZINC000048333032 570297137 /nfs/dbraw/zinc/29/71/37/570297137.db2.gz HTGUHQSRMGCGRN-UHFFFAOYSA-N 0 0 289.400 3.680 50 0 CHAARN Cc1cnc(NC(=O)c2sccc2C(C)C)s1 ZINC000048877425 570299486 /nfs/dbraw/zinc/29/94/86/570299486.db2.gz VHGGAKXUDPDVSF-UHFFFAOYSA-N 0 0 266.391 3.889 50 0 CHAARN Cc1cc([C@@H](C)NC(=O)/C=C/c2csc(C)n2)c(C)o1 ZINC000049380213 570300382 /nfs/dbraw/zinc/30/03/82/570300382.db2.gz XEVVLLBMGVKYDT-BRAIEQGRSA-N 0 0 290.388 3.552 50 0 CHAARN Cc1cc(C[N@H+](Cc2ccccn2)C2CCCCC2)on1 ZINC000215431115 570302805 /nfs/dbraw/zinc/30/28/05/570302805.db2.gz FZRLBNKCPZRMOH-UHFFFAOYSA-N 0 0 285.391 3.713 50 0 CHAARN Cc1ccc(C(=O)NCCCSc2ccc(F)cc2)o1 ZINC000024729403 570302872 /nfs/dbraw/zinc/30/28/72/570302872.db2.gz UTRYXLUUQZEMNU-UHFFFAOYSA-N 0 0 293.363 3.639 50 0 CHAARN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2[O-])cc1 ZINC000215850034 570304204 /nfs/dbraw/zinc/30/42/04/570304204.db2.gz BFKNNICVIXZPPL-UHFFFAOYSA-N 0 0 268.291 3.692 50 0 CHAARN CCN(C[C@@H]1CCCCO1)C(=O)c1ccc(Cl)c(C)c1 ZINC000220322799 570310644 /nfs/dbraw/zinc/31/06/44/570310644.db2.gz WOHAOCCVBGVMOF-AWEZNQCLSA-N 0 0 295.810 3.680 50 0 CHAARN O=C1C[C@H](c2cc(F)cc(F)c2)c2sccc2N1 ZINC000012360689 570310932 /nfs/dbraw/zinc/31/09/32/570310932.db2.gz OPYWVUYXTSHEIX-SNVBAGLBSA-N 0 0 265.284 3.500 50 0 CHAARN CC(=O)Nc1ccc2sc3ccc(NC(C)=O)cc3c2c1 ZINC000000838086 570312594 /nfs/dbraw/zinc/31/25/94/570312594.db2.gz JWKUMALFCRFNFT-UHFFFAOYSA-N 0 0 298.367 3.971 50 0 CHAARN CC(=O)c1cc(CN(C)[C@@H](C)c2nc(C)cs2)cs1 ZINC000244882495 570321307 /nfs/dbraw/zinc/32/13/07/570321307.db2.gz XSZGCZAWMHVJMG-JTQLQIEISA-N 0 0 294.445 3.909 50 0 CHAARN CSC(Nc1ccccc1)=C1c2ccccc2N(C)C1=O ZINC000211060980 570323526 /nfs/dbraw/zinc/32/35/26/570323526.db2.gz XLXJJMCVZVDXHL-NXVVXOECSA-N 0 0 296.395 3.807 50 0 CHAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C[C@@H](O)[C@@H]2O ZINC000257346363 570324341 /nfs/dbraw/zinc/32/43/41/570324341.db2.gz YSIYIHBXKQHUCK-JXFZAIEBSA-N 0 0 292.463 3.751 50 0 CHAARN COc1ccc(OCc2nc3cc(C)c(C)cc3[nH]2)cc1 ZINC000082087003 570325169 /nfs/dbraw/zinc/32/51/69/570325169.db2.gz BQQPLQLKWQKGOX-UHFFFAOYSA-N 0 0 282.343 3.767 50 0 CHAARN O=C(Nc1cccc2c1CCCC2)c1ccc2[nH]cnc2c1 ZINC000012525309 570326722 /nfs/dbraw/zinc/32/67/22/570326722.db2.gz JUNFCSSIXSXSPC-UHFFFAOYSA-N 0 0 291.354 3.694 50 0 CHAARN Cc1ccc(NC(=O)CCn2cnc3ccccc32)c(C)c1 ZINC000012540740 570327289 /nfs/dbraw/zinc/32/72/89/570327289.db2.gz CGZXXORMERFWBD-UHFFFAOYSA-N 0 0 293.370 3.682 50 0 CHAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1F ZINC000003608503 570328134 /nfs/dbraw/zinc/32/81/34/570328134.db2.gz MUPFPGNDJWQETC-MRXNPFEDSA-N 0 0 269.319 3.633 50 0 CHAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cccc(C)c1)C2 ZINC000012618286 570329825 /nfs/dbraw/zinc/32/98/25/570329825.db2.gz WIWFWCQXPXMAGB-MRXNPFEDSA-N 0 0 283.396 3.959 50 0 CHAARN Cc1ccc(N2N[C@](C)(CCC(C)C)NC2=S)cc1 ZINC000001249054 570331970 /nfs/dbraw/zinc/33/19/70/570331970.db2.gz GRAOKZSTOKKLRP-OAHLLOKOSA-N 0 0 277.437 3.758 50 0 CHAARN Fc1ccc(C2N=NC(=S)N2c2ccccc2)cc1F ZINC000002570310 570333651 /nfs/dbraw/zinc/33/36/51/570333651.db2.gz INFHQOSCTSEZER-UHFFFAOYSA-N 0 0 289.310 3.501 50 0 CHAARN CCn1ncc(C(=O)Nc2c(C)cccc2C(C)C)c1C ZINC000002764754 570333688 /nfs/dbraw/zinc/33/36/88/570333688.db2.gz FLAQNCGSUIQGOU-UHFFFAOYSA-N 0 0 285.391 3.896 50 0 CHAARN Cc1nc(-c2ccc(NC(=O)c3cccs3)c(C)c2)no1 ZINC000001429817 570335915 /nfs/dbraw/zinc/33/59/15/570335915.db2.gz AHQOAJFRVCXAIM-UHFFFAOYSA-N 0 0 299.355 3.667 50 0 CHAARN O=C(Nc1cnc2ccccc2c1)c1ccc2c(c1)CCC2 ZINC000012754828 570336808 /nfs/dbraw/zinc/33/68/08/570336808.db2.gz MOGBOPMYIOEYIX-UHFFFAOYSA-N 0 0 288.350 3.976 50 0 CHAARN O=C(c1cc(Cl)ccc1F)N1CCc2ccccc21 ZINC000012760733 570336906 /nfs/dbraw/zinc/33/69/06/570336906.db2.gz BUKZIFQRMNVJAD-UHFFFAOYSA-N 0 0 275.710 3.682 50 0 CHAARN CC(=O)Nc1ccccc1-c1nc(-c2cccc(C)c2)no1 ZINC000015671096 570337439 /nfs/dbraw/zinc/33/74/39/570337439.db2.gz RTXSQCPWEPUQNB-UHFFFAOYSA-N 0 0 293.326 3.670 50 0 CHAARN c1sc(-c2cccnc2)nc1-c1ccc2c(c1)OCO2 ZINC000001465444 570338936 /nfs/dbraw/zinc/33/89/36/570338936.db2.gz MBNPXIDECOBVBU-UHFFFAOYSA-N 0 0 282.324 3.601 50 0 CHAARN O=C(Nc1ccc(SC(F)(F)F)cc1)C(F)(F)F ZINC000001470900 570339648 /nfs/dbraw/zinc/33/96/48/570339648.db2.gz AURWBXMETZBYKJ-UHFFFAOYSA-N 0 0 289.200 3.799 50 0 CHAARN O=C(Nc1ccc(Br)cc1)C1CCCCC1 ZINC000000362842 570342004 /nfs/dbraw/zinc/34/20/04/570342004.db2.gz JENRJNSQQXLAFZ-UHFFFAOYSA-N 0 0 282.181 3.968 50 0 CHAARN Cc1ccc(Cl)cc1NC(=O)Oc1ccccn1 ZINC000000395444 570342301 /nfs/dbraw/zinc/34/23/01/570342301.db2.gz FTPLSSGXIDMUJS-UHFFFAOYSA-N 0 0 262.696 3.654 50 0 CHAARN CCCNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1 ZINC000015865718 570345423 /nfs/dbraw/zinc/34/54/23/570345423.db2.gz KTAWCAKWBBCHRJ-UHFFFAOYSA-N 0 0 288.734 3.774 50 0 CHAARN COc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@H](c1ccco1)N2 ZINC000003999771 570351391 /nfs/dbraw/zinc/35/13/91/570351391.db2.gz ZAYPLRCYKMEKKL-IUIKQTSFSA-N 0 0 271.316 3.533 50 0 biogenic CHAARN CC(C)Oc1ccc(C(=O)Nc2ccnn2C(C)C)cc1 ZINC000013003630 570353927 /nfs/dbraw/zinc/35/39/27/570353927.db2.gz RBQJRZNZLHAHAI-UHFFFAOYSA-N 0 0 287.363 3.504 50 0 CHAARN C[C@@]12CC[C@@H]3[C@H](CCC4=C[C@H](O)CC[C@@]43C)[C@H]1CCC2=O ZINC000253596745 570355792 /nfs/dbraw/zinc/35/57/92/570355792.db2.gz VMYTXBKVYDESSJ-WZDWFBNESA-N 0 0 288.431 3.879 50 0 CHAARN CCc1[nH]nc(NC(=O)Nc2ccccc2Cl)c1C ZINC000075610123 570356141 /nfs/dbraw/zinc/35/61/41/570356141.db2.gz FQBUTRSVRQYWSW-UHFFFAOYSA-N 0 0 278.743 3.578 50 0 CHAARN CC(C)c1ccc(-c2c(N3CCCC3)cn[nH]c2=O)cc1 ZINC000426358151 570359580 /nfs/dbraw/zinc/35/95/80/570359580.db2.gz BDKPHZJWWBUVSE-UHFFFAOYSA-N 0 0 283.375 3.573 50 0 CHAARN O=C(Nc1cc(-c2ccsc2)no1)c1ccc(F)cc1 ZINC000065153166 570360056 /nfs/dbraw/zinc/36/00/56/570360056.db2.gz FVGWGZWCTODHKA-UHFFFAOYSA-N 0 0 288.303 3.795 50 0 CHAARN O=C(NCc1ccccc1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000036620346 570360637 /nfs/dbraw/zinc/36/06/37/570360637.db2.gz VWBABVHBPMVLPI-QGZVFWFLSA-N 0 0 298.361 3.872 50 0 CHAARN Cc1oc(C(C)C)nc1C(=O)N[C@@H](C)c1ccccc1 ZINC000065293472 570361854 /nfs/dbraw/zinc/36/18/54/570361854.db2.gz CIVQDGCOQVCDTD-NSHDSACASA-N 0 0 272.348 3.597 50 0 CHAARN C[C@@H]1CCN(C(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000170615483 570363185 /nfs/dbraw/zinc/36/31/85/570363185.db2.gz WJBXJOODINFQKB-LLVKDONJSA-N 0 0 287.388 3.684 50 0 CHAARN Cc1cccc2c3nc(C4CCCCC4)nn3cnc12 ZINC000170614849 570363310 /nfs/dbraw/zinc/36/33/10/570363310.db2.gz BEWPTGFLXMAZAX-UHFFFAOYSA-N 0 0 266.348 3.634 50 0 CHAARN CCC(C)(C)NC(=O)CNc1ccc2ccccc2c1 ZINC000042299252 570363772 /nfs/dbraw/zinc/36/37/72/570363772.db2.gz UWMVPJKSLNRFIW-UHFFFAOYSA-N 0 0 270.376 3.557 50 0 CHAARN Cc1cc(C)c(OC(=O)c2ccc(Cl)nc2)c(C)c1 ZINC000014627329 570366654 /nfs/dbraw/zinc/36/66/54/570366654.db2.gz SHQDZRLRRGPSRW-UHFFFAOYSA-N 0 0 275.735 3.879 50 0 CHAARN Cc1cc(C)c(OCC[NH2+]Cc2ccccc2)c(C)c1 ZINC000002822048 570371476 /nfs/dbraw/zinc/37/14/76/570371476.db2.gz PLNWQIRHGIFOMO-UHFFFAOYSA-N 0 0 269.388 3.780 50 0 CHAARN Cc1ccc(OCCCSc2ncccn2)cc1C ZINC000002191208 570375143 /nfs/dbraw/zinc/37/51/43/570375143.db2.gz RAJZBBOFQGODLL-UHFFFAOYSA-N 0 0 274.389 3.655 50 0 CHAARN O=C(Nc1nc2ccccc2s1)C1CCCCC1 ZINC000000174929 570382565 /nfs/dbraw/zinc/38/25/65/570382565.db2.gz JVRYQONNBDBLDS-UHFFFAOYSA-N 0 0 260.362 3.815 50 0 CHAARN Cc1ccc(S(=O)(=O)CCSc2ccccc2)cc1 ZINC000000165292 570382589 /nfs/dbraw/zinc/38/25/89/570382589.db2.gz RTSRWKKZGOXSNC-UHFFFAOYSA-N 0 0 292.425 3.561 50 0 CHAARN Cc1cc(NC(=O)c2occc2-c2ccccc2)sn1 ZINC000098020529 570383504 /nfs/dbraw/zinc/38/35/04/570383504.db2.gz YTCVMPMWOBSHAQ-UHFFFAOYSA-N 0 0 284.340 3.964 50 0 CHAARN CC(C)(C)c1ncc(CNc2ccc(F)c(F)c2)cn1 ZINC000253393834 570384638 /nfs/dbraw/zinc/38/46/38/570384638.db2.gz SNOQZHBYOIFRFH-UHFFFAOYSA-N 0 0 277.318 3.664 50 0 CHAARN Cc1cccc(CC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000253398188 570384946 /nfs/dbraw/zinc/38/49/46/570384946.db2.gz GRSIDQJMBMNVEW-QGZVFWFLSA-N 0 0 297.373 3.693 50 0 CHAARN Cc1nc2nc(-c3ccc(Cl)cc3)nn2c(C)c1Cl ZINC000002363717 570391095 /nfs/dbraw/zinc/39/10/95/570391095.db2.gz SRRDYCWINGNKRX-UHFFFAOYSA-N 0 0 293.157 3.715 50 0 CHAARN N=C1c2ccccc2CN1c1ccc(Br)cc1 ZINC000020078866 570392752 /nfs/dbraw/zinc/39/27/52/570392752.db2.gz UZLQWEFPMKYMSQ-UHFFFAOYSA-N 0 0 287.160 3.795 50 0 CHAARN CCC(CC)(CC)SCC(=O)Nc1c(C)nn(C)c1C ZINC000225465041 570393946 /nfs/dbraw/zinc/39/39/46/570393946.db2.gz UBTGPIXSENBZOT-UHFFFAOYSA-N 0 0 297.468 3.677 50 0 CHAARN COc1ncc(Cl)c(N[C@H](C)c2ccccc2C)n1 ZINC000079109319 570396440 /nfs/dbraw/zinc/39/64/40/570396440.db2.gz ZKLWNZRDGXENNH-SNVBAGLBSA-N 0 0 277.755 3.620 50 0 CHAARN Cc1ccc(CNc2ccn(Cc3ccccn3)n2)c(C)c1 ZINC000079108777 570396607 /nfs/dbraw/zinc/39/66/07/570396607.db2.gz GSPFHLAWHFGISL-UHFFFAOYSA-N 0 0 292.386 3.555 50 0 CHAARN Cc1ccc2c(CC(=O)NCc3ccccc3F)coc2c1 ZINC000002618117 570396878 /nfs/dbraw/zinc/39/68/78/570396878.db2.gz RLPINPNNVVHKTN-UHFFFAOYSA-N 0 0 297.329 3.739 50 0 CHAARN c1cc2c(ncnc2Oc2ccc3c(c2)CCC3)s1 ZINC000002637326 570397291 /nfs/dbraw/zinc/39/72/91/570397291.db2.gz VDXSEVLSYIADBF-UHFFFAOYSA-N 0 0 268.341 3.972 50 0 CHAARN O=C(NCc1ccccc1F)c1ccccc1C(F)(F)F ZINC000002627268 570397351 /nfs/dbraw/zinc/39/73/51/570397351.db2.gz ZTNBJJFLEMGHJB-UHFFFAOYSA-N 0 0 297.251 3.775 50 0 CHAARN Cc1cc(NC(=O)N2CCC[C@H]2c2ccccc2C)no1 ZINC000056342257 570397970 /nfs/dbraw/zinc/39/79/70/570397970.db2.gz IASLAVBKVHPAOI-AWEZNQCLSA-N 0 0 285.347 3.660 50 0 CHAARN COc1cccc(C(=O)Oc2ccccc2Cl)c1OC ZINC000003346581 570398754 /nfs/dbraw/zinc/39/87/54/570398754.db2.gz UHGWWJRSTJUETM-UHFFFAOYSA-N 0 0 292.718 3.576 50 0 CHAARN Cc1csc(S[C@H](C)C(=O)NCC2CCCCC2)n1 ZINC000003435185 570399392 /nfs/dbraw/zinc/39/93/92/570399392.db2.gz BSDGKYXGTMXDCW-LLVKDONJSA-N 0 0 298.477 3.629 50 0 CHAARN Cc1nc2sc3c(c2c(NC(C)C)n1)CCCC3 ZINC000003443114 570399416 /nfs/dbraw/zinc/39/94/16/570399416.db2.gz BUTAQTMOCRZRDZ-UHFFFAOYSA-N 0 0 261.394 3.699 50 0 CHAARN Cc1ccc(F)cc1NC(=O)c1ccc(F)cc1F ZINC000003456383 570399758 /nfs/dbraw/zinc/39/97/58/570399758.db2.gz SHVNMTVHBCINCW-UHFFFAOYSA-N 0 0 265.234 3.665 50 0 CHAARN Cc1cc(CNC(=O)Nc2ccccc2C(C)(C)C)on1 ZINC000069771069 570402552 /nfs/dbraw/zinc/40/25/52/570402552.db2.gz HKVCTDPGEQDNLV-UHFFFAOYSA-N 0 0 287.363 3.602 50 0 CHAARN Cc1nnc([C@@H](C)N[C@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000069774842 570402619 /nfs/dbraw/zinc/40/26/19/570402619.db2.gz BJCNFLWICQBNJU-BMIGLBTASA-N 0 0 289.354 3.709 50 0 CHAARN CCOc1ccc(NC(=O)OCC(F)(F)F)cc1C ZINC000069742951 570402628 /nfs/dbraw/zinc/40/26/28/570402628.db2.gz ORQJCDSHLOLZOA-UHFFFAOYSA-N 0 0 277.242 3.505 50 0 CHAARN Cc1cc(Cl)ccc1NC(=O)c1cc(C2CC2)on1 ZINC000041452880 570403991 /nfs/dbraw/zinc/40/39/91/570403991.db2.gz CBLKWMPWUBVFAF-UHFFFAOYSA-N 0 0 276.723 3.766 50 0 CHAARN Cc1cccc([C@H]2CCCC[N@@H+]2CCCC(=O)[O-])c1C ZINC000174202048 570404044 /nfs/dbraw/zinc/40/40/44/570404044.db2.gz YRVJDCDMRHCFMQ-MRXNPFEDSA-N 0 0 275.392 3.695 50 0 CHAARN Fc1ccc(CCNc2ncnc3ccc(F)cc32)cc1 ZINC000041470912 570404080 /nfs/dbraw/zinc/40/40/80/570404080.db2.gz KTQYRJRIJFTCBQ-UHFFFAOYSA-N 0 0 285.297 3.563 50 0 CHAARN CCC[C@@H](C)N(C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000041638864 570404419 /nfs/dbraw/zinc/40/44/19/570404419.db2.gz DAIBJNSUDXKOHW-LLVKDONJSA-N 0 0 262.353 3.542 50 0 CHAARN CCCC(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000076643833 570404901 /nfs/dbraw/zinc/40/49/01/570404901.db2.gz NOCSNQIXNNLTPX-UHFFFAOYSA-N 0 0 293.370 3.646 50 0 CHAARN O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1cccs1 ZINC000032865227 570410144 /nfs/dbraw/zinc/41/01/44/570410144.db2.gz QQAFJIYVUOZJJB-OLZOCXBDSA-N 0 0 261.390 3.768 50 0 CHAARN Cc1cc(CNc2ccc3c4c(cccc42)CC3)no1 ZINC000022256623 570408632 /nfs/dbraw/zinc/40/86/32/570408632.db2.gz MAWYVYXXSFOORX-UHFFFAOYSA-N 0 0 264.328 3.847 50 0 CHAARN O=C(c1cc(Cl)ccn1)N1CCC[C@H]2CCCC[C@H]21 ZINC000032731060 570409500 /nfs/dbraw/zinc/40/95/00/570409500.db2.gz YLMNECIKGRFTAK-BXUZGUMPSA-N 0 0 278.783 3.530 50 0 CHAARN Cc1ccoc1C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000032841883 570409724 /nfs/dbraw/zinc/40/97/24/570409724.db2.gz QENICKRCIISLSK-NSHDSACASA-N 0 0 261.296 3.560 50 0 CHAARN COc1ccc([C@H]2CCCN2C(=O)C2CCCC2)cc1 ZINC000032819529 570409794 /nfs/dbraw/zinc/40/97/94/570409794.db2.gz IGLALDVRNOAPCK-MRXNPFEDSA-N 0 0 273.376 3.549 50 0 CHAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc[nH]1 ZINC000032787319 570409819 /nfs/dbraw/zinc/40/98/19/570409819.db2.gz PXGCMOYLZDGYCL-JTQLQIEISA-N 0 0 262.740 3.501 50 0 CHAARN O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1ccccc1 ZINC000032889954 570409977 /nfs/dbraw/zinc/40/99/77/570409977.db2.gz KOYHIYIEARGYLR-GDBMZVCRSA-N 0 0 255.361 3.706 50 0 CHAARN COc1cccc([C@H]2CCCN2C(=O)[C@@H]2CC=CCC2)c1 ZINC000032889867 570410018 /nfs/dbraw/zinc/41/00/18/570410018.db2.gz XLUJCNVKVZMYRB-RHSMWYFYSA-N 0 0 285.387 3.715 50 0 CHAARN Cc1noc(C)c1C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000192617738 570412613 /nfs/dbraw/zinc/41/26/13/570412613.db2.gz QWUVOUWBCFXHCG-NSHDSACASA-N 0 0 298.342 3.871 50 0 CHAARN CC(C)CC[C@H](c1ccccc1)N(C)C(=O)c1ccnn1C ZINC000952964509 614061392 /nfs/dbraw/zinc/06/13/92/614061392.db2.gz MCNYTBZHQOTPGI-MRXNPFEDSA-N 0 0 299.418 3.670 50 0 CHAARN CCC[C@@H](C(=O)Nc1ccc(Cl)cn1)n1cccc1 ZINC000952962826 614974118 /nfs/dbraw/zinc/97/41/18/614974118.db2.gz LOKZAQVXVCIHBO-LBPRGKRZSA-N 0 0 277.755 3.516 50 0 CHAARN CCC[C@H](NC(=O)c1csc(C)n1)c1cccs1 ZINC000952975262 615045428 /nfs/dbraw/zinc/04/54/28/615045428.db2.gz DEHZGTJQNSCAMM-JTQLQIEISA-N 0 0 280.418 3.784 50 0 CHAARN CC[C@@H]1C=CCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000952977087 615551138 /nfs/dbraw/zinc/55/11/38/615551138.db2.gz WSCYISCILTWSPK-GFCCVEGCSA-N 0 0 284.281 3.888 50 0 CHAARN CCCCC(=O)Nc1ccc(NC(=O)CCC)cc1OC ZINC000013839683 1125512106 /nfs/dbraw/zinc/51/21/06/1125512106.db2.gz MQTLNYFEMNQMQB-UHFFFAOYSA-N 0 0 292.379 3.563 50 0 CHAARN COc1ccccc1CN(C)c1nc2ccccc2s1 ZINC000024748941 1125586993 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1127565600 /nfs/dbraw/zinc/56/56/00/1127565600.db2.gz UMBSVPDSASEQGL-CYBMUJFWSA-N 0 0 276.449 3.935 50 0 CHAARN OCc1ccc(Cl)c(NC/C(Cl)=C/Cl)c1 ZINC000170668126 1127634690 /nfs/dbraw/zinc/63/46/90/1127634690.db2.gz SHYVPADGZPCFPE-YWEYNIOJSA-N 0 0 266.555 3.563 50 0 CHAARN Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)CCO3)cc1C ZINC000012919319 1127942113 /nfs/dbraw/zinc/94/21/13/1127942113.db2.gz IQWNHUDBVBNPQW-VMPITWQZSA-N 0 0 293.366 3.890 50 0 CHAARN Cc1cc(Br)cc(C)c1OC(F)F ZINC000095081442 1128129614 /nfs/dbraw/zinc/12/96/14/1128129614.db2.gz JHBVIEHKVLHFAG-UHFFFAOYSA-N 0 0 251.070 3.667 50 0 CHAARN Fc1ccc(C=NNc2ccc3ccccc3n2)c(F)c1 ZINC000254715364 1128170213 /nfs/dbraw/zinc/17/02/13/1128170213.db2.gz FTPJGHQUVSKBTP-UHFFFAOYSA-N 0 0 283.281 3.959 50 0 CHAARN C[C@H]1CCCCN1S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000213201242 1128228549 /nfs/dbraw/zinc/22/85/49/1128228549.db2.gz XUIVSTXRFVCDLR-MMRAYRKESA-N 0 0 299.823 3.515 50 0 CHAARN CN(Cc1nc(CC2CC2)no1)[C@@H]1CCCc2ccccc21 ZINC000015078771 1128454924 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/nfs/dbraw/zinc/53/65/71/169536571.db2.gz DZWHHCWYVZBASG-UHFFFAOYSA-N 0 0 258.148 3.666 50 0 CHAARN COc1ccc(NC(=O)c2ccc3ncsc3c2)cc1 ZINC000000105428 169538096 /nfs/dbraw/zinc/53/80/96/169538096.db2.gz RJNWSUQYHYIZAF-UHFFFAOYSA-N 0 0 284.340 3.557 50 0 CHAARN CCNC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000000116990 169541951 /nfs/dbraw/zinc/54/19/51/169541951.db2.gz CSTXETOOBAQGMN-UHFFFAOYSA-N 0 0 299.157 3.707 50 0 CHAARN CCc1ccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1 ZINC000000119596 169542598 /nfs/dbraw/zinc/54/25/98/169542598.db2.gz YLIYEVQJJRNHJP-ZDUSSCGKSA-N 0 0 299.370 3.664 50 0 CHAARN COc1ccc(Oc2coc3cc(OC)ccc3c2=O)cc1 ZINC000000120934 169543118 /nfs/dbraw/zinc/54/31/18/169543118.db2.gz AJJASAFUMJTILT-UHFFFAOYSA-N 0 0 298.294 3.603 50 0 biogenic CHAARN Cc1noc2ncnc(SCc3ccc(Cl)cc3)c12 ZINC000000124230 169544887 /nfs/dbraw/zinc/54/48/87/169544887.db2.gz ZYUFFKUJDOZOQM-UHFFFAOYSA-N 0 0 291.763 3.872 50 0 CHAARN O=C(Nc1ccc(F)cc1)c1cc2ccccc2o1 ZINC000000133052 169548200 /nfs/dbraw/zinc/54/82/00/169548200.db2.gz FEUYULCIWUILDN-UHFFFAOYSA-N 0 0 255.248 3.824 50 0 CHAARN COc1ccc(OC(=O)c2cc3ccccc3o2)cc1 ZINC000000133164 169548495 /nfs/dbraw/zinc/54/84/95/169548495.db2.gz IYFYVRZWHQFEKZ-UHFFFAOYSA-N 0 0 268.268 3.661 50 0 CHAARN CCc1ccccc1OCC(=O)Oc1ccc(C)cc1 ZINC000000131300 169547688 /nfs/dbraw/zinc/54/76/88/169547688.db2.gz SJPJOFSINKKKQD-UHFFFAOYSA-N 0 0 270.328 3.542 50 0 CHAARN Nc1nnc(SCc2c(Cl)cccc2Cl)s1 ZINC000000141710 169551941 /nfs/dbraw/zinc/55/19/41/169551941.db2.gz GRRLYGYAFVUVSP-UHFFFAOYSA-N 0 0 292.216 3.719 50 0 CHAARN C[C@H](NC(=O)c1ccc(Br)o1)c1ccccc1 ZINC000000142082 169552071 /nfs/dbraw/zinc/55/20/71/169552071.db2.gz BCNJDYPEKPMJHA-VIFPVBQESA-N 0 0 294.148 3.533 50 0 CHAARN CCn1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O ZINC000000148205 169554504 /nfs/dbraw/zinc/55/45/04/169554504.db2.gz DTCYOLBLWOCNMU-UHFFFAOYSA-N 0 0 288.347 3.592 50 0 CHAARN Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1C ZINC000000149120 169554872 /nfs/dbraw/zinc/55/48/72/169554872.db2.gz JAXJZDHNXZHIPB-UHFFFAOYSA-N 0 0 266.753 3.666 50 0 CHAARN CN(C)C(=O)Oc1ccc2ccccc2c1Br ZINC000000152128 169555986 /nfs/dbraw/zinc/55/59/86/169555986.db2.gz LFIQVKLNAVCFNU-UHFFFAOYSA-N 0 0 294.148 3.663 50 0 CHAARN O=Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000000151813 169556148 /nfs/dbraw/zinc/55/61/48/169556148.db2.gz WOUZCDNRKXWPDY-UHFFFAOYSA-N 0 0 264.683 3.871 50 0 CHAARN O=C(Nc1ccc2ccccc2n1)C1CCCCC1 ZINC000000153124 169556381 /nfs/dbraw/zinc/55/63/81/169556381.db2.gz DHFLYUQFYGRMEU-UHFFFAOYSA-N 0 0 254.333 3.754 50 0 CHAARN O[C@H]1CCCc2c3cc(C(F)(F)F)ccc3[nH]c21 ZINC000000170670 169562572 /nfs/dbraw/zinc/56/25/72/169562572.db2.gz QXVSBXVZGHLOLU-NSHDSACASA-N 0 0 255.239 3.556 50 0 CHAARN Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000000173763 169564184 /nfs/dbraw/zinc/56/41/84/169564184.db2.gz LXXDBPUREVMTMI-UHFFFAOYSA-N 0 0 255.195 3.598 50 0 CHAARN CCOc1ccc2c(c1)occ(Oc1ccccc1)c2=O ZINC000000189782 169569149 /nfs/dbraw/zinc/56/91/49/169569149.db2.gz JPXZTBOIRRQSGQ-UHFFFAOYSA-N 0 0 282.295 3.984 50 0 biogenic CHAARN Cc1cccc(C)c1N[C@@H]1OC(=O)c2ccccc21 ZINC000000202923 169573296 /nfs/dbraw/zinc/57/32/96/169573296.db2.gz QAWBSGWFZDWXRF-OAHLLOKOSA-N 0 0 253.301 3.585 50 0 CHAARN O=C(Nc1ccc(F)cc1)c1nsc(Cl)c1Cl ZINC000000198948 169572203 /nfs/dbraw/zinc/57/22/03/169572203.db2.gz GNZYHWLPACASRA-UHFFFAOYSA-N 0 0 291.134 3.841 50 0 CHAARN CCOC(=O)c1c(C)nsc1N[C@@H](C)c1ccccc1 ZINC000000214139 169577469 /nfs/dbraw/zinc/57/74/69/169577469.db2.gz QVVHYDSYBJKVQP-JTQLQIEISA-N 0 0 290.388 3.801 50 0 CHAARN CCC1CCC(C(=O)Nc2ccc(OC)cc2)CC1 ZINC000000225597 169579832 /nfs/dbraw/zinc/57/98/32/169579832.db2.gz NZVWBVSARJAAPY-UHFFFAOYSA-N 0 0 261.365 3.850 50 0 CHAARN CCC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000000249654 169587308 /nfs/dbraw/zinc/58/73/08/169587308.db2.gz FJVPNVUZMSGKPQ-UHFFFAOYSA-N 0 0 253.301 3.532 50 0 CHAARN CC(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n21 ZINC000000255132 169588369 /nfs/dbraw/zinc/58/83/69/169588369.db2.gz NWFKXMLGGDZZCO-UHFFFAOYSA-N 0 0 289.338 3.696 50 0 CHAARN CCSc1nc2ccccc2c(=O)n1-c1ccccc1C ZINC000000258484 169589453 /nfs/dbraw/zinc/58/94/53/169589453.db2.gz GJCKNKYMGGSYEF-UHFFFAOYSA-N 0 0 296.395 3.806 50 0 CHAARN CC[C@@H](C)NC(=O)c1c(C)c(Cl)c(C)nc1Cl ZINC000000269531 169593158 /nfs/dbraw/zinc/59/31/58/169593158.db2.gz MPTQRQQURAAZGA-ZCFIWIBFSA-N 0 0 275.179 3.534 50 0 CHAARN Cc1ccc(NC(=O)Nc2cccc(Cl)c2)nc1 ZINC000000295287 169599688 /nfs/dbraw/zinc/59/96/88/169599688.db2.gz LEQAMRJBRBGSLX-UHFFFAOYSA-N 0 0 261.712 3.687 50 0 CHAARN CCOc1ccc(OC(=O)c2cccc(C)c2)cc1 ZINC000000295375 169600071 /nfs/dbraw/zinc/60/00/71/169600071.db2.gz GBUXBODBMPJNNJ-UHFFFAOYSA-N 0 0 256.301 3.613 50 0 CHAARN COc1ccc(CC(=O)Nc2cccc3c2CCCC3)cc1 ZINC000000298836 169601164 /nfs/dbraw/zinc/60/11/64/169601164.db2.gz BMEVZNWMKVXKOD-UHFFFAOYSA-N 0 0 295.382 3.755 50 0 CHAARN Cc1ccc(NC(=S)NCc2ccc(F)cc2)c(C)c1 ZINC000000306597 169603695 /nfs/dbraw/zinc/60/36/95/169603695.db2.gz ZSGGQUAGSGVECI-UHFFFAOYSA-N 0 0 288.391 3.929 50 0 CHAARN CC(=O)Nc1ccc(NC(=O)CC2CCCCC2)cc1 ZINC000000316728 169606719 /nfs/dbraw/zinc/60/67/19/169606719.db2.gz OAVUTCAROFXDAS-UHFFFAOYSA-N 0 0 274.364 3.554 50 0 CHAARN Cc1nc(C)c(Br)c(C)c1Br ZINC000000331091 169609034 /nfs/dbraw/zinc/60/90/34/169609034.db2.gz IVFYLSYVJQNXFC-UHFFFAOYSA-N 0 0 278.975 3.532 50 0 CHAARN Cc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000000331249 169609070 /nfs/dbraw/zinc/60/90/70/169609070.db2.gz MXDYVPQMNPCHPP-UHFFFAOYSA-N 0 0 254.264 3.851 50 0 CHAARN COc1ccc2c(c1)C(=O)C[C@H](c1ccc(F)cc1)O2 ZINC000000388789 169626782 /nfs/dbraw/zinc/62/67/82/169626782.db2.gz VARCHUJAXLHBPL-MRXNPFEDSA-N 0 0 272.275 3.541 50 0 biogenic CHAARN CCOC(=O)[C@H](C)[C@@H]1CCCc2c(C)ccc(C)c21 ZINC000000397153 169629878 /nfs/dbraw/zinc/62/98/78/169629878.db2.gz ILBWYBANPKPUQG-HIFRSBDPSA-N 0 0 260.377 3.923 50 0 CHAARN C[C@@H]1CCC[C@@H](C)N1C(=O)Nc1cccc(F)c1 ZINC000000400212 169631086 /nfs/dbraw/zinc/63/10/86/169631086.db2.gz PXGWNGONRNECHL-GHMZBOCLSA-N 0 0 250.317 3.621 50 0 CHAARN C[C@@H]1CN(C(=O)Nc2ccccc2)C2(CCCCCC2)O1 ZINC000000406078 169632519 /nfs/dbraw/zinc/63/25/19/169632519.db2.gz NXNWBPCCJHHBBQ-CQSZACIVSA-N 0 0 288.391 3.990 50 0 CHAARN O=C(NCCn1ccc2ccccc21)c1ccc(Cl)cc1 ZINC000000427838 169637974 /nfs/dbraw/zinc/63/79/74/169637974.db2.gz JMPAHNDBKGCIJF-UHFFFAOYSA-N 0 0 298.773 3.725 50 0 CHAARN COc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000000437342 169640083 /nfs/dbraw/zinc/64/00/83/169640083.db2.gz AJEUFFALBREZDZ-UHFFFAOYSA-N 0 0 295.260 3.966 50 0 CHAARN Cc1ccc(-c2noc(COc3cccc(C)c3)n2)cc1 ZINC000000442871 169642036 /nfs/dbraw/zinc/64/20/36/169642036.db2.gz BBGPZXDHRQXWEJ-UHFFFAOYSA-N 0 0 280.327 3.932 50 0 CHAARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccs1 ZINC000000447471 169642894 /nfs/dbraw/zinc/64/28/94/169642894.db2.gz KZAYFOQERIRWFI-UHFFFAOYSA-N 0 0 294.379 3.986 50 0 CHAARN CCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000000459023 169646149 /nfs/dbraw/zinc/64/61/49/169646149.db2.gz QMJVRSIJDFVZMA-ATGUSINASA-N 0 0 295.382 3.976 50 0 CHAARN Cc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000000451327 169643979 /nfs/dbraw/zinc/64/39/79/169643979.db2.gz USEBIRWDRKZILN-UHFFFAOYSA-N 0 0 289.762 3.974 50 0 CHAARN COc1cc(C=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000000453447 169644502 /nfs/dbraw/zinc/64/45/02/169644502.db2.gz ZXRHLHVARQYYTA-UHFFFAOYSA-N 0 0 294.709 3.879 50 0 CHAARN Cc1ccc(CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000000463787 169647505 /nfs/dbraw/zinc/64/75/05/169647505.db2.gz MTPSCOAPUVGVBV-UHFFFAOYSA-N 0 0 253.345 3.793 50 0 CHAARN CC(=O)Nc1cccc(NC(=O)CCC2CCCCC2)c1 ZINC000000464571 169647565 /nfs/dbraw/zinc/64/75/65/169647565.db2.gz HIMYDFZGKDSJMF-UHFFFAOYSA-N 0 0 288.391 3.944 50 0 CHAARN Cc1cccc(-c2noc(-c3ccccc3F)n2)c1 ZINC000000467213 169648342 /nfs/dbraw/zinc/64/83/42/169648342.db2.gz MBQMCGPVXJRANE-UHFFFAOYSA-N 0 0 254.264 3.851 50 0 CHAARN Cc1ccn2c(C(=O)c3ccc(Cl)cc3)cnc2c1 ZINC000004024561 184529149 /nfs/dbraw/zinc/52/91/49/184529149.db2.gz CKXLDTVCXCLZQJ-UHFFFAOYSA-N 0 0 270.719 3.527 50 0 CHAARN Nc1ccc(C(c2ccc(N)cc2)c2ccc(N)cc2)cc1 ZINC000004031808 184529451 /nfs/dbraw/zinc/52/94/51/184529451.db2.gz ADUMIBSPEHFSLA-UHFFFAOYSA-N 0 0 289.382 3.613 50 0 CHAARN Cc1cccc(C(=O)OCC(=O)c2cc(C)ccc2C)c1 ZINC000000477676 169651426 /nfs/dbraw/zinc/65/14/26/169651426.db2.gz QPRNJMOBCLYAKG-UHFFFAOYSA-N 0 0 282.339 3.652 50 0 CHAARN O=C(Nc1ccc(F)cc1F)[C@H]1C[C@@H]1c1ccccc1 ZINC000000473433 169650019 /nfs/dbraw/zinc/65/00/19/169650019.db2.gz CCHOTFCJTOHMGZ-OLZOCXBDSA-N 0 0 273.282 3.707 50 0 CHAARN COC(=O)c1ccc(COc2ccccc2Cl)cc1 ZINC000000484163 169653458 /nfs/dbraw/zinc/65/34/58/169653458.db2.gz LQOLSKRIRFBLDV-UHFFFAOYSA-N 0 0 276.719 3.706 50 0 CHAARN CCC(CC)c1nnc(NC(=O)[C@H]2CC=CCC2)s1 ZINC000057329302 184567311 /nfs/dbraw/zinc/56/73/11/184567311.db2.gz FVKGXIAQIXTDEZ-NSHDSACASA-N 0 0 279.409 3.737 50 0 CHAARN O=C(Cc1ccccc1)N1CCC(c2ccc(Cl)cc2)=N1 ZINC000000510032 169659080 /nfs/dbraw/zinc/65/90/80/169659080.db2.gz JRBGZPNPFJBDPW-UHFFFAOYSA-N 0 0 298.773 3.519 50 0 CHAARN C[C@@H](NC(=O)NCc1ccccc1)c1ccc(Cl)cc1 ZINC000007787064 533187558 /nfs/dbraw/zinc/18/75/58/533187558.db2.gz QKVNOUSNAYVUGB-GFCCVEGCSA-N 0 0 288.778 3.900 50 0 CHAARN CCc1nc(CSc2ncc(C(C)C)n2C(C)C)no1 ZINC000096416352 256764368 /nfs/dbraw/zinc/76/43/68/256764368.db2.gz CTDKZOXCRSZFSA-UHFFFAOYSA-N 0 0 294.424 3.825 50 0 CHAARN CC[C@@H](c1ccncc1)N(CC)C(=O)CSC(C)(C)C ZINC000096416815 256788656 /nfs/dbraw/zinc/78/86/56/256788656.db2.gz WUOXRORLZYEVJE-AWEZNQCLSA-N 0 0 294.464 3.913 50 0 CHAARN CCOC(=O)c1coc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000096345665 256791942 /nfs/dbraw/zinc/79/19/42/256791942.db2.gz TYJIGVRVELJUJM-UHFFFAOYSA-N 0 0 286.114 3.825 50 0 CHAARN C/C=C/C=C\C(=O)N[C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000096298541 256770787 /nfs/dbraw/zinc/77/07/87/256770787.db2.gz JAJBHYLVVFKDCP-UXVFWXEMSA-N 0 0 299.399 3.515 50 0 CHAARN COc1cccc(NC(=O)[C@H]2[C@@H]3CCCCC=C[C@H]32)c1 ZINC000100372802 256856984 /nfs/dbraw/zinc/85/69/84/256856984.db2.gz PGDMXBZVARMRRJ-BZUAXINKSA-N 0 0 271.360 3.626 50 0 CHAARN Cc1nn(C(F)F)cc1-c1cccc2ncccc21 ZINC000096151442 256884150 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CC(C)(C)c1ccc(OCCOC(=O)c2cccnc2)cc1 ZINC000016694880 566985246 /nfs/dbraw/zinc/98/52/46/566985246.db2.gz GGBNYLFZJGGMDE-UHFFFAOYSA-N 0 0 299.370 3.615 50 0 CHAARN Cc1ccnc(NC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000004542389 566986241 /nfs/dbraw/zinc/98/62/41/566986241.db2.gz VDBIBMKIFRIXAB-UHFFFAOYSA-N 0 0 275.739 3.996 50 0 CHAARN CC[C@@H](NC(=O)CCC(C)(C)C)c1cccc(C)n1 ZINC000426547521 566987287 /nfs/dbraw/zinc/98/72/87/566987287.db2.gz CHDURRDBCLJABN-CYBMUJFWSA-N 0 0 262.397 3.784 50 0 CHAARN CN(C)C(=O)c1cccc(-c2cccc3cnccc32)c1 ZINC000426510425 566987590 /nfs/dbraw/zinc/98/75/90/566987590.db2.gz UJYZAZHZWBXNEA-UHFFFAOYSA-N 0 0 276.339 3.604 50 0 CHAARN COc1cccc(OC)c1-c1ccc2[nH+]ccc(N)c2c1 ZINC000426739684 566990062 /nfs/dbraw/zinc/99/00/62/566990062.db2.gz HILBWFLFXNVBBM-UHFFFAOYSA-N 0 0 280.327 3.501 50 0 CHAARN CCCc1nc(C)cc(-c2ccccc2OCC)n1 ZINC000426727531 566990580 /nfs/dbraw/zinc/99/05/80/566990580.db2.gz SBYLTNURAFPTGV-UHFFFAOYSA-N 0 0 256.349 3.803 50 0 CHAARN CCCCCNC(=O)c1ccc(-c2cccc(F)c2)nc1 ZINC000064668992 566990991 /nfs/dbraw/zinc/99/09/91/566990991.db2.gz OQKLDOBAZKAERE-UHFFFAOYSA-N 0 0 286.350 3.808 50 0 CHAARN COc1ccc(-c2ccncc2C)c2cccnc12 ZINC000426726749 566991611 /nfs/dbraw/zinc/99/16/11/566991611.db2.gz JUCRQWACGMVKRR-UHFFFAOYSA-N 0 0 250.301 3.614 50 0 CHAARN CC(C)n1cnc2cc(CNC(=O)c3ccsc3)ccc21 ZINC000064754862 566993063 /nfs/dbraw/zinc/99/30/63/566993063.db2.gz RLQFNMPQPHNYAJ-UHFFFAOYSA-N 0 0 299.399 3.609 50 0 CHAARN CC(C)Nc1ccc(-c2nc(-c3cccc(F)c3)no2)cn1 ZINC000064676877 566993649 /nfs/dbraw/zinc/99/36/49/566993649.db2.gz ZOJPEWFDWWYSPN-UHFFFAOYSA-N 0 0 298.321 3.758 50 0 CHAARN CCn1nnc2cc(-c3noc(C4CCCCC4)n3)ccc21 ZINC000064979922 566995959 /nfs/dbraw/zinc/99/59/59/566995959.db2.gz ADLLXKGCWASYSQ-UHFFFAOYSA-N 0 0 297.362 3.549 50 0 CHAARN Cc1ccc(CNC(=O)N2CCSc3ccccc32)cc1 ZINC000006876882 567001236 /nfs/dbraw/zinc/00/12/36/567001236.db2.gz FTPHMYLGJAVJIS-UHFFFAOYSA-N 0 0 298.411 3.817 50 0 CHAARN 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Cc1ccc(-c2c[nH]cc2C(=O)N(C)C(C)C)s1 ZINC000192940100 567011899 /nfs/dbraw/zinc/01/18/99/567011899.db2.gz XHZZSLXFCKVFMB-UHFFFAOYSA-N 0 0 262.378 3.532 50 0 CHAARN CCc1nc(C)c([C@@H](C)Nc2ccc(OC)nc2)s1 ZINC000170591800 567012180 /nfs/dbraw/zinc/01/21/80/567012180.db2.gz LNUKOKWWXOVHPY-SECBINFHSA-N 0 0 277.393 3.591 50 0 CHAARN C[C@H]1CCCc2ccccc2[C@@H]1Nc1ncccn1 ZINC000170596137 567012685 /nfs/dbraw/zinc/01/26/85/567012685.db2.gz AFSWDQXCLCDUHO-SWLSCSKDSA-N 0 0 253.349 3.602 50 0 CHAARN C[C@H](c1cccnc1)N(C)Cc1cnc(C2CCC2)s1 ZINC000170594873 567012807 /nfs/dbraw/zinc/01/28/07/567012807.db2.gz XKSNJDRGTFXJID-GFCCVEGCSA-N 0 0 287.432 3.999 50 0 CHAARN O=C(NOCc1ccc(F)cc1)Nc1ccccc1Cl ZINC000170594785 567012828 /nfs/dbraw/zinc/01/28/28/567012828.db2.gz UDIKDQHMKXJQSB-UHFFFAOYSA-N 0 0 294.713 3.732 50 0 CHAARN Cc1cc(-n2ccnc2)ccc1COC(=O)c1ccsc1 ZINC000170611629 567014021 /nfs/dbraw/zinc/01/40/21/567014021.db2.gz HYQFFTBCNXWMFK-UHFFFAOYSA-N 0 0 298.367 3.599 50 0 CHAARN CC[C@H]1CCCCN1C(=O)Nc1ccc(C)c(F)c1 ZINC000013320542 567016869 /nfs/dbraw/zinc/01/68/69/567016869.db2.gz HTZOMWNIXNSFJW-ZDUSSCGKSA-N 0 0 264.344 3.931 50 0 CHAARN Cc1ccc(NC(=O)NCc2cccs2)cc1F ZINC000013320298 567017118 /nfs/dbraw/zinc/01/71/18/567017118.db2.gz WSUBJFINFKXPRI-UHFFFAOYSA-N 0 0 264.325 3.517 50 0 CHAARN Cc1ccc(NC(=O)N[C@@H](C)c2ccccn2)cc1C ZINC000013331886 567017465 /nfs/dbraw/zinc/01/74/65/567017465.db2.gz JBRKSENUXDIZSA-ZDUSSCGKSA-N 0 0 269.348 3.581 50 0 CHAARN C[C@H](NC(=O)Nc1nccs1)c1ccccc1Cl ZINC000042736605 567018031 /nfs/dbraw/zinc/01/80/31/567018031.db2.gz BPJJPRIIQPVHNO-QMMMGPOBSA-N 0 0 281.768 3.679 50 0 CHAARN CCOCCCNC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000013330237 567018337 /nfs/dbraw/zinc/01/83/37/567018337.db2.gz ZSDYRGPDWIWMOG-CQSZACIVSA-N 0 0 298.814 3.517 50 0 CHAARN C[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1cccnc1 ZINC000013744803 567021199 /nfs/dbraw/zinc/02/11/99/567021199.db2.gz OHNCFUMLNAPMFW-SECBINFHSA-N 0 0 293.729 3.757 50 0 CHAARN O=C(C[C@H]1C=CCC1)Nc1ccc(Oc2cccnc2)nc1 ZINC000089877861 567027984 /nfs/dbraw/zinc/02/79/84/567027984.db2.gz RWZYMWDPXQOEQY-ZDUSSCGKSA-N 0 0 295.342 3.564 50 0 CHAARN CC(C)c1nsc(N[C@H]2CCOC3(CCCC3)C2)n1 ZINC000089893724 567028420 /nfs/dbraw/zinc/02/84/20/567028420.db2.gz UUBKJXHZIPHDLM-NSHDSACASA-N 0 0 281.425 3.565 50 0 CHAARN COc1cc(F)c([C@@H](C)Nc2cccc(CO)c2)c(F)c1 ZINC000089904496 567030331 /nfs/dbraw/zinc/03/03/31/567030331.db2.gz DIHUUIPJYFJWNS-SNVBAGLBSA-N 0 0 293.313 3.639 50 0 CHAARN CC1=CCN(Cc2ccc(Br)s2)CC1 ZINC000089919771 567030697 /nfs/dbraw/zinc/03/06/97/567030697.db2.gz YEWXXXUDHJBWRP-UHFFFAOYSA-N 0 0 272.211 3.663 50 0 CHAARN CCCCOc1ccc(NC(=O)CC2CCOCC2)cc1 ZINC000002877755 567036335 /nfs/dbraw/zinc/03/63/35/567036335.db2.gz PDBCOCGUKBDSMN-UHFFFAOYSA-N 0 0 291.391 3.621 50 0 CHAARN CCc1cccc(C)c1NC(=O)N1CCC=C(F)C1 ZINC000096013168 567040496 /nfs/dbraw/zinc/04/04/96/567040496.db2.gz UPTHNGUOFPBQGC-UHFFFAOYSA-N 0 0 262.328 3.648 50 0 CHAARN c1csc([C@H]2CCCN(c3nccc4occc43)C2)n1 ZINC000095994715 567041370 /nfs/dbraw/zinc/04/13/70/567041370.db2.gz GFIZXLNUGXIHCU-NSHDSACASA-N 0 0 285.372 3.668 50 0 CHAARN CCCCS[C@H](C)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000170638710 567042729 /nfs/dbraw/zinc/04/27/29/567042729.db2.gz ZPRQYCJUFYXYGB-HZSPNIEDSA-N 0 0 271.470 3.945 50 0 CHAARN CN(C(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000243183862 567044309 /nfs/dbraw/zinc/04/43/09/567044309.db2.gz JXTJDNYOFRQOGS-UHFFFAOYSA-N 0 0 262.259 3.633 50 0 CHAARN Cc1cccc(S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000000399392 567053320 /nfs/dbraw/zinc/05/33/20/567053320.db2.gz XXZULIYPYBJODM-UHFFFAOYSA-N 0 0 274.385 3.753 50 0 CHAARN O[C@@H]1CCOc2c(NCc3cc(Cl)cs3)cccc21 ZINC000193212699 567054734 /nfs/dbraw/zinc/05/47/34/567054734.db2.gz HONNZLUHKPVMPR-CYBMUJFWSA-N 0 0 295.791 3.830 50 0 CHAARN CCN(CC)C(=O)C[C@@H](C(C)C)[C@H]1CCOC(C)(C)C1 ZINC000002149933 567057537 /nfs/dbraw/zinc/05/75/37/567057537.db2.gz HEUJCGMLLZGMIQ-GJZGRUSLSA-N 0 0 283.456 3.722 50 0 biogenic CHAARN 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Cc1ccccc1[C@H](NC(=O)Nc1cn[nH]c1)C(C)(C)C ZINC000079941551 567125469 /nfs/dbraw/zinc/12/54/69/567125469.db2.gz RYDXDDDCVCIEHB-AWEZNQCLSA-N 0 0 286.379 3.627 50 0 CHAARN CCSCc1cccc(NCc2cccnc2)c1 ZINC000095429263 567130752 /nfs/dbraw/zinc/13/07/52/567130752.db2.gz OCACTNBESOWWDH-UHFFFAOYSA-N 0 0 258.390 3.947 50 0 CHAARN C[C@@H](NCc1ccco1)c1ccc(F)cc1OC(F)F ZINC000095419195 567131884 /nfs/dbraw/zinc/13/18/84/567131884.db2.gz ZYMSPWUMUQQYJQ-SECBINFHSA-N 0 0 285.265 3.871 50 0 CHAARN C[C@@H]1CCC[C@H](OC(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC000095440700 567134632 /nfs/dbraw/zinc/13/46/32/567134632.db2.gz YBEFTGFFYUMQSQ-MDZLAQPJSA-N 0 0 295.404 3.730 50 0 CHAARN C[C@@H](c1cccc(Cl)c1)[S@@](=O)CC1CCOCC1 ZINC000095439195 567134779 /nfs/dbraw/zinc/13/47/79/567134779.db2.gz DLZSBZWJRXQXOD-BBATYDOGSA-N 0 0 286.824 3.576 50 0 CHAARN CC[C@H](C)OC(=O)[C@H](c1ccccc1)N1CCCCC1 ZINC000096026434 567136445 /nfs/dbraw/zinc/13/64/45/567136445.db2.gz FYYRMJGKJDIYFC-HOCLYGCPSA-N 0 0 275.392 3.555 50 0 CHAARN CC(C)n1ccc2c1cccc2C(=O)NCc1ccccn1 ZINC000095479936 567136544 /nfs/dbraw/zinc/13/65/44/567136544.db2.gz DEZYPRFFKVYNGD-UHFFFAOYSA-N 0 0 293.370 3.547 50 0 CHAARN Cc1ccc(NC(=O)c2cc(-c3ccco3)cs2)nc1 ZINC000096183676 567138638 /nfs/dbraw/zinc/13/86/38/567138638.db2.gz UDFAXQZVBAXNOI-UHFFFAOYSA-N 0 0 284.340 3.964 50 0 CHAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1sccc1Cl ZINC000261581134 567140169 /nfs/dbraw/zinc/14/01/69/567140169.db2.gz FUVLZEADDSAMAK-JLLWLGSASA-N 0 0 299.823 3.619 50 0 CHAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1sccc1Cl ZINC000261581135 567141795 /nfs/dbraw/zinc/14/17/95/567141795.db2.gz FUVLZEADDSAMAK-USWWRNFRSA-N 0 0 299.823 3.619 50 0 CHAARN Cc1nc(C(=O)N2CCC(C)(C)C2)c(-c2ccccc2)o1 ZINC000097115637 567143332 /nfs/dbraw/zinc/14/33/32/567143332.db2.gz ODXYMZIJEPIDBV-UHFFFAOYSA-N 0 0 284.359 3.522 50 0 CHAARN Cc1cccc(C(C)(C)NC(=O)[C@@H]2C[C@@H]2c2cccnc2)c1 ZINC000096412114 567144184 /nfs/dbraw/zinc/14/41/84/567144184.db2.gz RGDLWTDNZWBZFF-IAGOWNOFSA-N 0 0 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O=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(F)cc1F ZINC000028304961 567150456 /nfs/dbraw/zinc/15/04/56/567150456.db2.gz HEPQASRSEANZID-UHFFFAOYSA-N 0 0 299.280 3.607 50 0 CHAARN Cc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000002648932 567151295 /nfs/dbraw/zinc/15/12/95/567151295.db2.gz PDOPQZQFGGNASZ-UHFFFAOYSA-N 0 0 277.726 3.969 50 0 CHAARN O=C(Cc1cccc(F)c1)Nc1ccc(Cl)cc1F ZINC000002657339 567151353 /nfs/dbraw/zinc/15/13/53/567151353.db2.gz ZFGVHRYAMIKICR-UHFFFAOYSA-N 0 0 281.689 3.799 50 0 CHAARN COc1ccccc1[C@@H]1C[C@H](C(F)F)n2nc(C)cc2N1 ZINC000002783764 567152813 /nfs/dbraw/zinc/15/28/13/567152813.db2.gz MNZIIUKZQPBOLD-NWDGAFQWSA-N 0 0 293.317 3.563 50 0 CHAARN Cc1ccccc1NC(=O)NCCc1c[nH]c2ccccc12 ZINC000002886263 567153259 /nfs/dbraw/zinc/15/32/59/567153259.db2.gz HIDVIEJKWAUXHX-UHFFFAOYSA-N 0 0 293.370 3.841 50 0 CHAARN CC(C)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000002905552 567153462 /nfs/dbraw/zinc/15/34/62/567153462.db2.gz SRSBBBYHBUDRNR-UHFFFAOYSA-N 0 0 254.329 3.952 50 0 CHAARN CN(C)C(=O)c1cccc(COc2ccccc2Cl)c1 ZINC000002750826 567153501 /nfs/dbraw/zinc/15/35/01/567153501.db2.gz UZROPRPQKWAMKM-UHFFFAOYSA-N 0 0 289.762 3.621 50 0 CHAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000002783607 567153533 /nfs/dbraw/zinc/15/35/33/567153533.db2.gz OTZFRPSVWHWSLY-PSASIEDQSA-N 0 0 287.310 3.913 50 0 CHAARN C[C@H](C(=O)Nc1ccccc1)n1cc(-c2ccccc2)cn1 ZINC000227165809 567154972 /nfs/dbraw/zinc/15/49/72/567154972.db2.gz ZPQVBXSWJOQMTP-CQSZACIVSA-N 0 0 291.354 3.750 50 0 CHAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccn1 ZINC000002910503 567155208 /nfs/dbraw/zinc/15/52/08/567155208.db2.gz SORWIKNTMZSSTD-UHFFFAOYSA-N 0 0 267.115 3.641 50 0 CHAARN C[C@H](C(=O)N1CCCC[C@@H]1C)n1cc(-c2ccccc2)cn1 ZINC000227165679 567155378 /nfs/dbraw/zinc/15/53/78/567155378.db2.gz RFPUTBXUTQVZHD-LSDHHAIUSA-N 0 0 297.402 3.512 50 0 CHAARN CC[C@H]1Oc2ccc(C)cc2N(Cc2ccc(F)cc2)C1=O ZINC000003029010 567157414 /nfs/dbraw/zinc/15/74/14/567157414.db2.gz GCDULGXALDLLRS-MRXNPFEDSA-N 0 0 299.345 3.838 50 0 CHAARN 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/nfs/dbraw/zinc/21/52/35/567215235.db2.gz ZFEXXUYVUFQIBH-LLVKDONJSA-N 0 0 255.346 3.583 50 0 CHAARN COc1ccc(C2=CCN(C(=O)c3ccoc3C)CC2)cc1 ZINC000040539880 567216511 /nfs/dbraw/zinc/21/65/11/567216511.db2.gz ZZVDZKRRIUBPCU-UHFFFAOYSA-N 0 0 297.354 3.526 50 0 CHAARN Cc1cc(C)cc(OCC(=O)N[C@H](C)c2ccccc2)c1 ZINC000000029111 567816475 /nfs/dbraw/zinc/81/64/75/567816475.db2.gz MOTGXWMYGNTTBS-OAHLLOKOSA-N 0 0 283.371 3.560 50 0 CHAARN CC(C)CNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000000030233 567816485 /nfs/dbraw/zinc/81/64/85/567816485.db2.gz UPNYIVQEEFNCIR-UHFFFAOYSA-N 0 0 281.355 3.696 50 0 CHAARN COc1c2cc3ccc(=O)oc3cc2oc1C(C)C ZINC000000001912 567816507 /nfs/dbraw/zinc/81/65/07/567816507.db2.gz YQBNJPACAUPNLV-UHFFFAOYSA-N 0 0 258.273 3.671 50 0 biogenic,in-vitro CHAARN COc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1 ZINC000000037879 567816699 /nfs/dbraw/zinc/81/66/99/567816699.db2.gz SDKYZOSOKCWHDQ-UHFFFAOYSA-N 0 0 285.343 3.508 50 0 CHAARN CC(C)c1ccc(NC(=O)CSc2ccccn2)cc1 ZINC000000031900 567816823 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/nfs/dbraw/zinc/81/72/58/567817258.db2.gz SFNVMKKUISRNFE-UHFFFAOYSA-N 0 0 270.357 3.864 50 0 CHAARN CCOc1ccc(Nc2nc(C)c(C(C)=O)s2)cc1 ZINC000000064022 567817276 /nfs/dbraw/zinc/81/72/76/567817276.db2.gz SPROBMWPEYGRQV-UHFFFAOYSA-N 0 0 276.361 3.796 50 0 CHAARN Cc1ccc(C)c(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1 ZINC000000064287 567817354 /nfs/dbraw/zinc/81/73/54/567817354.db2.gz VDEWLEPNNAOIBQ-SOFGYWHQSA-N 0 0 295.338 3.684 50 0 biogenic CHAARN O=c1oc(-c2cccs2)nc2sc3c(c21)CCCC3 ZINC000000061449 567817418 /nfs/dbraw/zinc/81/74/18/567817418.db2.gz NLIOCPWLMFTKMV-UHFFFAOYSA-N 0 0 289.381 3.857 50 0 aggregator CHAARN Cc1ccc2oc(-c3cccc(F)c3)cc(=O)c2c1 ZINC000000081662 567817801 /nfs/dbraw/zinc/81/78/01/567817801.db2.gz ACAYJZBNMJXVIL-UHFFFAOYSA-N 0 0 254.260 3.908 50 0 CHAARN Cc1nc2sc3c(c2c(NCc2ccco2)n1)CCC3 ZINC000000087769 567817825 /nfs/dbraw/zinc/81/78/25/567817825.db2.gz VWSFKHFDPRSPLA-UHFFFAOYSA-N 0 0 285.372 3.694 50 0 CHAARN Cc1ccc2cc(NC(=O)Cc3ccccc3)ccc2n1 ZINC000000084504 567817874 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DZDOIHXEUPFBLX-UHFFFAOYSA-N 0 0 292.216 3.719 50 0 CHAARN CC(C)NC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000000117620 567818604 /nfs/dbraw/zinc/81/86/04/567818604.db2.gz MAVLOCUHSSXSND-GHRIWEEISA-N 0 0 265.356 3.752 50 0 CHAARN CC(C)(C)NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000000117252 567818711 /nfs/dbraw/zinc/81/87/11/567818711.db2.gz LBYLSTHLFWFOBR-UHFFFAOYSA-N 0 0 281.355 3.839 50 0 CHAARN COc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1OC ZINC000000114234 567818731 /nfs/dbraw/zinc/81/87/31/567818731.db2.gz UHSBAAQSHOSGQD-UHFFFAOYSA-N 0 0 296.326 3.729 50 0 CHAARN O=C(Cc1cccs1)Nc1nc2ccccc2s1 ZINC000000117390 567818742 /nfs/dbraw/zinc/81/87/42/567818742.db2.gz QNJUFBLXCPQTHI-UHFFFAOYSA-N 0 0 274.370 3.539 50 0 CHAARN CC(C)CSc1nnc2sc3ccccc3n12 ZINC000000114781 567818811 /nfs/dbraw/zinc/81/88/11/567818811.db2.gz CUNVZENLFRGHAB-UHFFFAOYSA-N 0 0 263.391 3.692 50 0 CHAARN O=C(c1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1 ZINC000000124523 567818930 /nfs/dbraw/zinc/81/89/30/567818930.db2.gz ZZGJRLAHDBJANK-UHFFFAOYSA-N 0 0 291.700 3.755 50 0 CHAARN Cc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1 ZINC000000123487 567818936 /nfs/dbraw/zinc/81/89/36/567818936.db2.gz ZQVMDFRLTBQTRH-UHFFFAOYSA-N 0 0 284.340 3.964 50 0 aggregator CHAARN Cc1nc(-c2ccc(Br)cc2)cs1 ZINC000000124767 567818955 /nfs/dbraw/zinc/81/89/55/567818955.db2.gz OHDZDHHETRGNRY-UHFFFAOYSA-N 0 0 254.152 3.881 50 0 CHAARN Nc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000000123019 567819002 /nfs/dbraw/zinc/81/90/02/567819002.db2.gz QUKTZXBKSASZIN-UHFFFAOYSA-N 0 0 289.132 3.840 50 0 CHAARN COc1ccc(-c2nc3cc(N)ccc3o2)cc1Cl ZINC000000123049 567819051 /nfs/dbraw/zinc/81/90/51/567819051.db2.gz MOVYURSWPJPGTK-UHFFFAOYSA-N 0 0 274.707 3.739 50 0 CHAARN Cn1nc(-c2ccc(-c3cc[nH]n3)s2)cc1C(F)(F)F ZINC000000125953 567819073 /nfs/dbraw/zinc/81/90/73/567819073.db2.gz VXSCQYXURWSSHV-UHFFFAOYSA-N 0 0 298.293 3.558 50 0 CHAARN O=c1ccc2ccc(OCc3ccc(F)cc3)cc2o1 ZINC000000123064 567819159 /nfs/dbraw/zinc/81/91/59/567819159.db2.gz SKQACDXEJFEWQP-UHFFFAOYSA-N 0 0 270.259 3.511 50 0 CHAARN Cc1cccc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)c1 ZINC000000129495 567819299 /nfs/dbraw/zinc/81/92/99/567819299.db2.gz JFEPYPGHXXDEMT-UHFFFAOYSA-N 0 0 294.306 3.629 50 0 CHAARN O=c1c(Cl)c(Oc2ccccc2)cnn1-c1ccccc1 ZINC000000132199 567819410 /nfs/dbraw/zinc/81/94/10/567819410.db2.gz JDMPNDZQOAKOIT-UHFFFAOYSA-N 0 0 298.729 3.678 50 0 CHAARN CCOc1ccccc1C(=O)Nc1cc(C)cc(C)c1 ZINC000000128895 567819434 /nfs/dbraw/zinc/81/94/34/567819434.db2.gz QKXZPGNXWACPAC-UHFFFAOYSA-N 0 0 269.344 3.954 50 0 CHAARN CCc1ccccc1NC(=O)COc1ccccc1C ZINC000000130092 567819528 /nfs/dbraw/zinc/81/95/28/567819528.db2.gz DUKOYQOKHROERW-UHFFFAOYSA-N 0 0 269.344 3.575 50 0 CHAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1 ZINC000000137248 567819614 /nfs/dbraw/zinc/81/96/14/567819614.db2.gz VYMXJPIDPRKQFO-GXFFZTMASA-N 0 0 251.757 3.649 50 0 CHAARN CC(=O)c1ccc2c(c1)Cc1cc(C(C)=O)ccc1-2 ZINC000000133552 567819655 /nfs/dbraw/zinc/81/96/55/567819655.db2.gz RIRYGERFWHUZBT-UHFFFAOYSA-N 0 0 250.297 3.663 50 0 CHAARN Cc1ccc2nc(-c3cc(-c4ccccc4)no3)cn2c1 ZINC000000154715 567820220 /nfs/dbraw/zinc/82/02/20/567820220.db2.gz FCTSBNQGQACUQF-UHFFFAOYSA-N 0 0 275.311 3.965 50 0 CHAARN O=C(Nc1ccccc1)N1CCCc2ccccc21 ZINC000000157294 567820608 /nfs/dbraw/zinc/82/06/08/567820608.db2.gz RXYDFGCDLFMFIQ-UHFFFAOYSA-N 0 0 252.317 3.671 50 0 CHAARN O=C(NCC1CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000000157644 567820803 /nfs/dbraw/zinc/82/08/03/567820803.db2.gz XIPVMCHIFVZRLI-UHFFFAOYSA-N 0 0 296.370 3.797 50 0 CHAARN Cc1ccc(C)c(C(O)(C(F)(F)F)C(F)(F)F)c1 ZINC000000158097 567820856 /nfs/dbraw/zinc/82/08/56/567820856.db2.gz OQOULCPVNZYDHV-UHFFFAOYSA-N 0 0 272.188 3.616 50 0 CHAARN Fc1ccc(-c2nnc3n2-c2ccccc2SC3)cc1 ZINC000000160428 567820870 /nfs/dbraw/zinc/82/08/70/567820870.db2.gz RHQBCANZNHZVKK-UHFFFAOYSA-N 0 0 283.331 3.679 50 0 CHAARN COC(=O)c1cnc(Sc2ccccc2)c(Cl)c1 ZINC000000168862 567821172 /nfs/dbraw/zinc/82/11/72/567821172.db2.gz SBVZEAMHMGSABW-UHFFFAOYSA-N 0 0 279.748 3.673 50 0 CHAARN Cc1cccc(C(=O)Nc2cc(C)c(C)cc2O)c1 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/nfs/dbraw/zinc/82/45/60/567824560.db2.gz QYQZEVKHEAKKSM-UHFFFAOYSA-N 0 0 282.730 3.654 50 0 CHAARN COc1ccc(C(=O)Sc2ccc(C)cc2)cc1OC ZINC000000307131 567824582 /nfs/dbraw/zinc/82/45/82/567824582.db2.gz IRERUYUCZHFHSG-UHFFFAOYSA-N 0 0 288.368 3.945 50 0 CHAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CC1 ZINC000000313318 567824867 /nfs/dbraw/zinc/82/48/67/567824867.db2.gz NAJMKPMXTKTFCY-UHFFFAOYSA-N 0 0 277.327 3.578 50 0 CHAARN Cc1cc(Cl)ccc1NC(=O)Cc1cccs1 ZINC000000311672 567824918 /nfs/dbraw/zinc/82/49/18/567824918.db2.gz BWWHJOCWPLQMOZ-UHFFFAOYSA-N 0 0 265.765 3.891 50 0 CHAARN COc1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000000314215 567824931 /nfs/dbraw/zinc/82/49/31/567824931.db2.gz FIXACCRITJENIW-UHFFFAOYSA-N 0 0 286.331 3.656 50 0 CHAARN O=Cc1ccc(OC(=O)c2ccccc2F)c(Cl)c1 ZINC000000313655 567824945 /nfs/dbraw/zinc/82/49/45/567824945.db2.gz NJKJKARSIPDBPH-UHFFFAOYSA-N 0 0 278.666 3.511 50 0 CHAARN CCOc1ccc(NC(=O)[C@H](CC)Oc2ccccc2)cc1 ZINC000000311661 567824979 /nfs/dbraw/zinc/82/49/79/567824979.db2.gz RMRBLLORKPIXTP-KRWDZBQOSA-N 0 0 299.370 3.881 50 0 CHAARN O=C(CCC1CCCCC1)NCc1ccc(F)cc1 ZINC000000311875 567825046 /nfs/dbraw/zinc/82/50/46/567825046.db2.gz RLQOUSSZQDLHLJ-UHFFFAOYSA-N 0 0 263.356 3.802 50 0 CHAARN Brc1c(-c2ccccc2)nc2ccccn12 ZINC000000323841 567825205 /nfs/dbraw/zinc/82/52/05/567825205.db2.gz HVPPJXIGEZYEGQ-UHFFFAOYSA-N 0 0 273.133 3.764 50 0 CHAARN CCN(C(=O)c1cccc(F)c1)c1ccccc1C ZINC000000318926 567825296 /nfs/dbraw/zinc/82/52/96/567825296.db2.gz BPDGDYSOUGEXGB-UHFFFAOYSA-N 0 0 257.308 3.801 50 0 CHAARN O=C(/C=C/c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000000341045 567825884 /nfs/dbraw/zinc/82/58/84/567825884.db2.gz YSNGDZDGGGVGHU-ZHACJKMWSA-N 0 0 290.366 3.540 50 0 CHAARN S=C(Nc1cccc(Cl)c1)NC1CCCCC1 ZINC000000346784 567825973 /nfs/dbraw/zinc/82/59/73/567825973.db2.gz DDSOXQVCKMHZQL-UHFFFAOYSA-N 0 0 268.813 3.959 50 0 CHAARN CCCC(=O)NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000000341949 567826057 /nfs/dbraw/zinc/82/60/57/567826057.db2.gz 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297.354 3.604 50 0 CHAARN CCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000000367710 567827425 /nfs/dbraw/zinc/82/74/25/567827425.db2.gz LGOUCXBWJIPXSC-UHFFFAOYSA-N 0 0 293.326 3.752 50 0 CHAARN CC[C@H](NC(=O)c1ccccc1F)c1ccccc1 ZINC000000371334 567827537 /nfs/dbraw/zinc/82/75/37/567827537.db2.gz LKSRVBRVOSGRJY-HNNXBMFYSA-N 0 0 257.308 3.707 50 0 CHAARN Cc1cccc(O[C@@H](C)C(=O)N2CCCc3ccccc32)c1 ZINC000000371489 567827580 /nfs/dbraw/zinc/82/75/80/567827580.db2.gz RIHDZPQJQAAUHS-HNNXBMFYSA-N 0 0 295.382 3.742 50 0 CHAARN O=Cc1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000000373448 567827593 /nfs/dbraw/zinc/82/75/93/567827593.db2.gz JMJZPMFPPLREBR-UHFFFAOYSA-N 0 0 271.099 3.978 50 0 CHAARN C[C@@H]1C[C@@H]1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000000372092 567827762 /nfs/dbraw/zinc/82/77/62/567827762.db2.gz DTVGDEPUWYDANL-SVRRBLITSA-N 0 0 266.753 3.544 50 0 CHAARN Cc1cccc(NC(=O)CCSc2ccccn2)c1 ZINC000000386159 567828199 /nfs/dbraw/zinc/82/81/99/567828199.db2.gz INVWWGKNWLEPBA-UHFFFAOYSA-N 0 0 272.373 3.511 50 0 CHAARN C[C@H]1Cc2c(ccc3c(-c4ccccc4)cc(=O)oc23)O1 ZINC000000384868 567828237 /nfs/dbraw/zinc/82/82/37/567828237.db2.gz GRTXOXUWEVXLFM-NSHDSACASA-N 0 0 278.307 3.783 50 0 CHAARN Cc1c(C(=O)Nc2cccc(F)c2)cnn1-c1ccccc1 ZINC000000384998 567828339 /nfs/dbraw/zinc/82/83/39/567828339.db2.gz ISKJTOOAQYLOCI-UHFFFAOYSA-N 0 0 295.317 3.572 50 0 CHAARN CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1 ZINC000000383799 567828376 /nfs/dbraw/zinc/82/83/76/567828376.db2.gz IEXQEAINZICSPH-UHFFFAOYSA-N 0 0 298.338 3.932 50 0 CHAARN CC(C)(C)NC(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000000386118 567828460 /nfs/dbraw/zinc/82/84/60/567828460.db2.gz KKEWIDFBUJMVKG-UHFFFAOYSA-N 0 0 279.449 3.991 50 0 CHAARN CCc1cccc(CC)c1NS(=O)(=O)c1ccccc1 ZINC000000392850 567828574 /nfs/dbraw/zinc/82/85/74/567828574.db2.gz VIJIPNMCOOEVFF-UHFFFAOYSA-N 0 0 289.400 3.612 50 0 CHAARN O=C(NCc1ccco1)Nc1cc(Cl)ccc1Cl ZINC000000395464 567828701 /nfs/dbraw/zinc/82/87/01/567828701.db2.gz LBJOSBILOPACNK-UHFFFAOYSA-N 0 0 285.130 3.908 50 0 CHAARN C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000000396449 567828877 /nfs/dbraw/zinc/82/88/77/567828877.db2.gz RQFMTTGJTNJNCD-SNVBAGLBSA-N 0 0 252.745 3.604 50 0 CHAARN CCN(CC)c1ccc(C(=O)c2ccccc2)cc1 ZINC000000396184 567828981 /nfs/dbraw/zinc/82/89/81/567828981.db2.gz IDLJKTNBZKSHIY-UHFFFAOYSA-N 0 0 253.345 3.764 50 0 CHAARN O=C(Nc1cccc(O)c1)c1ccc(Cl)cc1Cl ZINC000000398777 567829295 /nfs/dbraw/zinc/82/92/95/567829295.db2.gz AWPQVHUTPWEJMD-UHFFFAOYSA-N 0 0 282.126 3.951 50 0 CHAARN CSc1nccc(Oc2ccccc2Cl)n1 ZINC000000480205 567832685 /nfs/dbraw/zinc/83/26/85/567832685.db2.gz TVSUNIJSWZFARR-UHFFFAOYSA-N 0 0 252.726 3.644 50 0 CHAARN O=C(NCc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000000405605 567829434 /nfs/dbraw/zinc/82/94/34/567829434.db2.gz RDSOQTVZWZFAIV-UHFFFAOYSA-N 0 0 280.154 3.923 50 0 CHAARN Cc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000000407815 567829535 /nfs/dbraw/zinc/82/95/35/567829535.db2.gz AADZTPCEHBQRGA-DLBZAZTESA-N 0 0 290.370 3.733 50 0 CHAARN C[C@H]1CN(C(=O)Nc2ccccc2)C2(CCCCCC2)O1 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/nfs/dbraw/zinc/88/51/25/567885125.db2.gz BSPRCSZWHCSQRT-UHFFFAOYSA-N 0 0 298.177 3.744 50 0 CHAARN CCOC(=O)c1sc(Cl)nc1-c1ccccc1 ZINC000032500058 567885935 /nfs/dbraw/zinc/88/59/35/567885935.db2.gz GCYRUFVHYNWOFH-UHFFFAOYSA-N 0 0 267.737 3.640 50 0 CHAARN NC(=O)c1cccnc1-c1cc2ccccc2s1 ZINC000032523747 567886134 /nfs/dbraw/zinc/88/61/34/567886134.db2.gz QHSPNRGCDRUQJZ-UHFFFAOYSA-N 0 0 254.314 3.847 50 0 CHAARN O[C@@H](CNc1ccc(Br)cc1)c1ccccc1 ZINC000032152560 567886135 /nfs/dbraw/zinc/88/61/35/567886135.db2.gz XFRALYJTWIROQI-AWEZNQCLSA-N 0 0 292.176 3.595 50 0 CHAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)c1cccs1 ZINC000033086833 567886438 /nfs/dbraw/zinc/88/64/38/567886438.db2.gz NZWINJDHCMMXQB-LLVKDONJSA-N 0 0 290.388 3.584 50 0 CHAARN C[C@@H]1CCc2ccccc2N1C(=O)OCC(F)(F)F ZINC000032628779 567886524 /nfs/dbraw/zinc/88/65/24/567886524.db2.gz CFGKDPVZLWDZJW-SECBINFHSA-N 0 0 273.254 3.527 50 0 CHAARN COc1ccc(C(=O)N[C@H]2CC(C)(C)Cc3occc32)cc1 ZINC000000353100 567887252 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/nfs/dbraw/zinc/88/82/92/567888292.db2.gz CBMWEYNCHFAULB-LBPRGKRZSA-N 0 0 270.376 3.788 50 0 CHAARN Cc1cc(C)nc(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000002872556 567888355 /nfs/dbraw/zinc/88/83/55/567888355.db2.gz QYDKYEWLCXWDNS-UHFFFAOYSA-N 0 0 292.741 3.672 50 0 CHAARN CC(=O)N(Cc1ccco1)C[C@@H]1[C@H](C)C=C(C)C[C@@H]1C ZINC000004028889 567888478 /nfs/dbraw/zinc/88/84/78/567888478.db2.gz UYZWGOWZOGYDPO-JKIFEVAISA-N 0 0 275.392 3.867 50 0 biogenic CHAARN CCC[C@@H]1C(=O)C[C@@H](c2ccco2)N[C@H]1c1ccco1 ZINC000034798057 567888781 /nfs/dbraw/zinc/88/87/81/567888781.db2.gz LFJPCHSRZIMWGY-BFQNTYOBSA-N 0 0 273.332 3.634 50 0 CHAARN Cc1nc(NC(=O)c2cccc3c2ccn3C)sc1C ZINC000036358842 567889299 /nfs/dbraw/zinc/88/92/99/567889299.db2.gz MHFLODSRWHIIJT-UHFFFAOYSA-N 0 0 285.372 3.504 50 0 CHAARN O=C(NC1CC1)c1ccc(-c2ccccc2Cl)s1 ZINC000036354983 567889373 /nfs/dbraw/zinc/88/93/73/567889373.db2.gz OJVCPERBYQNNKX-UHFFFAOYSA-N 0 0 277.776 3.961 50 0 CHAARN Cc1ccc(-c2n[nH]c(=S)n2Cc2ccco2)cc1 ZINC000036724590 567889602 /nfs/dbraw/zinc/88/96/02/567889602.db2.gz XYTCNMWNRCOYES-UHFFFAOYSA-N 0 0 271.345 3.557 50 0 CHAARN Cc1ccc(Sc2ccc(Cl)nn2)c(C)c1 ZINC000037022326 567890035 /nfs/dbraw/zinc/89/00/35/567890035.db2.gz BRPPJVPPBQQBPG-UHFFFAOYSA-N 0 0 250.754 3.898 50 0 CHAARN CCN(CC)C(=O)c1cc(Br)ccc1Cl ZINC000037974812 567890452 /nfs/dbraw/zinc/89/04/52/567890452.db2.gz HONRUKJXQREPJB-UHFFFAOYSA-N 0 0 290.588 3.585 50 0 CHAARN COc1cc(/C=C\c2ccc(O)cc2)cc(OC)c1 ZINC000000003225 567890591 /nfs/dbraw/zinc/89/05/91/567890591.db2.gz VLEUZFDZJKSGMX-ARJAWSKDSA-N 0 0 256.301 3.580 50 0 biogenic,in-vitro CHAARN CCc1cc2c(nc(CC)nc2NCc2cccnc2)s1 ZINC000041090111 567890770 /nfs/dbraw/zinc/89/07/70/567890770.db2.gz KKAAIHJRNIVNNM-UHFFFAOYSA-N 0 0 298.415 3.823 50 0 CHAARN CCCc1ccc(C(=O)c2ccccc2OC(C)=O)cc1 ZINC000043209775 567891862 /nfs/dbraw/zinc/89/18/62/567891862.db2.gz ABTMGXCVFXMELF-UHFFFAOYSA-N 0 0 282.339 3.795 50 0 CHAARN Cc1cc(Br)cnc1N(C)C1CCCCC1 ZINC000042783638 567892160 /nfs/dbraw/zinc/89/21/60/567892160.db2.gz LPEVHUJQHCOUET-UHFFFAOYSA-N 0 0 283.213 3.921 50 0 CHAARN CCOC(=O)CCCCC(=O)c1c(F)cccc1Cl ZINC000043214391 567892233 /nfs/dbraw/zinc/89/22/33/567892233.db2.gz ADRBNENASDCHSV-UHFFFAOYSA-N 0 0 286.730 3.785 50 0 CHAARN Cc1cc(F)cc(C(=O)c2cc(F)cc(F)c2)c1 ZINC000043210189 567892330 /nfs/dbraw/zinc/89/23/30/567892330.db2.gz SVFWHAFTXACPPC-UHFFFAOYSA-N 0 0 250.219 3.643 50 0 CHAARN O=C(c1ccc(Cl)cc1)c1cccc(C2OCCO2)c1 ZINC000043212543 567892366 /nfs/dbraw/zinc/89/23/66/567892366.db2.gz YKLMRXZISYGKBZ-UHFFFAOYSA-N 0 0 288.730 3.616 50 0 CHAARN Cc1cccc(C(=O)c2cccc(C3OCCO3)c2)c1C ZINC000043212548 567892377 /nfs/dbraw/zinc/89/23/77/567892377.db2.gz CGFCAFJFPOOUJP-UHFFFAOYSA-N 0 0 282.339 3.580 50 0 CHAARN CCc1noc(-c2ccccc2NC(=O)C2CCCCC2)n1 ZINC000033012695 567892494 /nfs/dbraw/zinc/89/24/94/567892494.db2.gz XVCYNHPNTOMWLU-UHFFFAOYSA-N 0 0 299.374 3.818 50 0 CHAARN CCCCOc1ccc(C(=O)Nc2ccccn2)cc1 ZINC000004608389 567893148 /nfs/dbraw/zinc/89/31/48/567893148.db2.gz WVTTWAANQQZZTP-UHFFFAOYSA-N 0 0 270.332 3.513 50 0 CHAARN c1c(-c2ccccc2)nn2c1ncc1c2-c2ccccc2OC1 ZINC000013828446 567894616 /nfs/dbraw/zinc/89/46/16/567894616.db2.gz LQEJJTMGDDBYPV-UHFFFAOYSA-N 0 0 299.333 3.956 50 0 CHAARN Cc1ccc(NC(=O)CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000057291847 567895132 /nfs/dbraw/zinc/89/51/32/567895132.db2.gz MROQGVCDMQOSOC-UHFFFAOYSA-N 0 0 296.370 3.579 50 0 CHAARN O=C(CCc1ccccc1)N1CC[C@H]1c1ccccc1 ZINC000058011334 567895294 /nfs/dbraw/zinc/89/52/94/567895294.db2.gz FXRDYZLBJDRIIZ-KRWDZBQOSA-N 0 0 265.356 3.593 50 0 CHAARN Cc1ccc2cc(C(=O)N3CCC[C@H](C)CC3)[nH]c2c1 ZINC000058163472 567895411 /nfs/dbraw/zinc/89/54/11/567895411.db2.gz VKXMEEJZIJOPDY-LBPRGKRZSA-N 0 0 270.376 3.739 50 0 CHAARN COc1cc(C(=O)N2CCSc3ccccc32)ccc1C ZINC000058160893 567895482 /nfs/dbraw/zinc/89/54/82/567895482.db2.gz UYIPKPFBJWMTFC-UHFFFAOYSA-N 0 0 299.395 3.756 50 0 CHAARN CC(=O)N1N=C(c2ccsc2)C[C@H]1c1ccccc1C ZINC000058161124 567895513 /nfs/dbraw/zinc/89/55/13/567895513.db2.gz VKJOBRVFBCQZHV-INIZCTEOSA-N 0 0 284.384 3.754 50 0 CHAARN C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)Nc1ccccc1 ZINC000058174539 567895539 /nfs/dbraw/zinc/89/55/39/567895539.db2.gz KSUZXULANVIHLM-CQSZACIVSA-N 0 0 297.402 3.505 50 0 CHAARN O=[S@](Cc1ccc(Cl)cc1)Cc1cccc(F)c1 ZINC000058131024 567895593 /nfs/dbraw/zinc/89/55/93/567895593.db2.gz XATNYWZVMUGYAH-SFHVURJKSA-N 0 0 282.767 3.928 50 0 CHAARN Cc1c2ccccc2oc1C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000058224040 567895781 /nfs/dbraw/zinc/89/57/81/567895781.db2.gz SRNOYABONGEDDG-ZDUSSCGKSA-N 0 0 294.354 3.969 50 0 CHAARN COc1ccccc1NC(=O)NC1(c2ccccc2)CCC1 ZINC000058453060 567895800 /nfs/dbraw/zinc/89/58/00/567895800.db2.gz PBSJLZLESIAZOS-UHFFFAOYSA-N 0 0 296.370 3.896 50 0 CHAARN C[C@H](NC(=O)c1cccs1)c1nc(-c2ccccc2)c[nH]1 ZINC000058215516 567895802 /nfs/dbraw/zinc/89/58/02/567895802.db2.gz BFSDQRNLMSQHMN-NSHDSACASA-N 0 0 297.383 3.629 50 0 CHAARN C[C@@H](NC(=O)c1occc1-c1ccccc1)c1cccnc1 ZINC000058265579 567895896 /nfs/dbraw/zinc/89/58/96/567895896.db2.gz RZFCMZXBSLQPGC-CYBMUJFWSA-N 0 0 292.338 3.833 50 0 CHAARN C[C@@H](NC(=O)NCC[C@H](C)c1ccccc1)c1ccncc1 ZINC000058289612 567895923 /nfs/dbraw/zinc/89/59/23/567895923.db2.gz GPFQXOHAQXBALY-LSDHHAIUSA-N 0 0 297.402 3.636 50 0 CHAARN CC(C)COCCC(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000058441238 567895950 /nfs/dbraw/zinc/89/59/50/567895950.db2.gz JYEXQIHHWMZITH-UHFFFAOYSA-N 0 0 298.386 3.750 50 0 CHAARN CC(C)C[C@@H](C)N(C)C(=O)Nc1cccc(F)c1 ZINC000058344160 567896091 /nfs/dbraw/zinc/89/60/91/567896091.db2.gz YSSKKEAJXLQHLI-LLVKDONJSA-N 0 0 252.333 3.724 50 0 CHAARN O=C1C[C@@H]2Sc3ccccc3N=C2N1Cc1ccccc1 ZINC000059682015 567896603 /nfs/dbraw/zinc/89/66/03/567896603.db2.gz YZJDMRZSXJCONN-HNNXBMFYSA-N 0 0 294.379 3.623 50 0 CHAARN CC(C)c1ccc(N2Cc3ccccc3C2=O)cc1 ZINC000060257007 567896921 /nfs/dbraw/zinc/89/69/21/567896921.db2.gz AUHFTRXOIKUXMU-UHFFFAOYSA-N 0 0 251.329 3.970 50 0 CHAARN CCC[C@H](NC(=O)c1oc(CC)nc1C)c1cccs1 ZINC000065372604 567898502 /nfs/dbraw/zinc/89/85/02/567898502.db2.gz MGXPNMIFKBMSAU-NSHDSACASA-N 0 0 292.404 3.878 50 0 CHAARN CC(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000065371603 567898508 /nfs/dbraw/zinc/89/85/08/567898508.db2.gz CGHFITXDMFFSJR-ZDUSSCGKSA-N 0 0 299.336 3.897 50 0 CHAARN Cc1cccnc1CN(C)Cc1nc(C(C)C)cs1 ZINC000065375952 567898602 /nfs/dbraw/zinc/89/86/02/567898602.db2.gz OCOCCLHXGXNMPL-UHFFFAOYSA-N 0 0 275.421 3.602 50 0 CHAARN Cc1c(C)c(Br)ccc1Br ZINC000065356441 567898790 /nfs/dbraw/zinc/89/87/90/567898790.db2.gz IVJJDBCZDJFMNZ-UHFFFAOYSA-N 0 0 263.960 3.828 50 0 CHAARN Fc1ccc(-c2ccc(Cn3ccnc3)cn2)c(Cl)c1 ZINC000065406664 567898948 /nfs/dbraw/zinc/89/89/48/567898948.db2.gz KVADPTSAJGXOCG-UHFFFAOYSA-N 0 0 287.725 3.786 50 0 CHAARN CC(C)(C)OC(=O)N1CCC(c2ccccc2)CC1 ZINC000066339386 567899817 /nfs/dbraw/zinc/89/98/17/567899817.db2.gz FPJWVSRNJVENGQ-UHFFFAOYSA-N 0 0 261.365 3.801 50 0 CHAARN CCCC(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1 ZINC000067640897 567900216 /nfs/dbraw/zinc/90/02/16/567900216.db2.gz QPYZVCYJDLPECS-UHFFFAOYSA-N 0 0 294.354 3.586 50 0 CHAARN C[C@@H](c1nccn1-c1cccc(CO)c1)c1ccccc1 ZINC000067641295 567900286 /nfs/dbraw/zinc/90/02/86/567900286.db2.gz NJGFZXPQILOUAK-CQSZACIVSA-N 0 0 278.355 3.516 50 0 CHAARN Cc1cn(Cc2nc(-c3cccc(Cl)c3)oc2C)cn1 ZINC000067967022 567901011 /nfs/dbraw/zinc/90/10/11/567901011.db2.gz BFGGLBFVLPPZQJ-UHFFFAOYSA-N 0 0 287.750 3.857 50 0 CHAARN CCC(=O)Nc1ccccc1-c1cc(OC)ccc1OC ZINC000067920323 567901098 /nfs/dbraw/zinc/90/10/98/567901098.db2.gz BBUKDMOVPSBVPY-UHFFFAOYSA-N 0 0 285.343 3.719 50 0 CHAARN CSc1ccc(-c2nc(Cn3cc(C)cn3)c(C)o2)cc1 ZINC000067909369 567901104 /nfs/dbraw/zinc/90/11/04/567901104.db2.gz AMPCUNGBGRMKQS-UHFFFAOYSA-N 0 0 299.399 3.925 50 0 CHAARN Cc1ccsc1-c1cn([C@H](C)c2csc(C)n2)nn1 ZINC000067964983 567901152 /nfs/dbraw/zinc/90/11/52/567901152.db2.gz NIFZIVKGQQTHKA-SECBINFHSA-N 0 0 290.417 3.689 50 0 CHAARN COc1ccc(-c2cc(NCc3ccccc3)no2)cc1 ZINC000068754937 567901311 /nfs/dbraw/zinc/90/13/11/567901311.db2.gz 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/nfs/dbraw/zinc/92/95/56/567929556.db2.gz IQLDPAMZIACYCK-LLVKDONJSA-N 0 0 297.333 3.544 50 0 CHAARN CC(=O)c1sc2nc3c(C)cccc3cc2c1N ZINC000000421682 567930334 /nfs/dbraw/zinc/93/03/34/567930334.db2.gz BKWCOLOKGGXZOZ-UHFFFAOYSA-N 0 0 256.330 3.543 50 0 CHAARN CCOc1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000000422642 567930516 /nfs/dbraw/zinc/93/05/16/567930516.db2.gz MJADXEDMKKDCRI-UHFFFAOYSA-N 0 0 266.300 3.802 50 0 CHAARN Cc1cc2ccccc2n1CCNC(=O)C1CCCCC1 ZINC000000427909 567930549 /nfs/dbraw/zinc/93/05/49/567930549.db2.gz XGVRPQDHOVUGQI-UHFFFAOYSA-N 0 0 284.403 3.646 50 0 CHAARN COc1ccc(CNc2[nH]c(=S)nc3ccccc32)cc1 ZINC000000425005 567930557 /nfs/dbraw/zinc/93/05/57/567930557.db2.gz VHGBWGHMDSRVFI-UHFFFAOYSA-N 0 0 297.383 3.913 50 0 CHAARN Cc1cc2ccccc2n1CCNC(=O)c1ccccc1C ZINC000000427868 567930570 /nfs/dbraw/zinc/93/05/70/567930570.db2.gz KCPUASKQCANAKO-UHFFFAOYSA-N 0 0 292.382 3.688 50 0 CHAARN O=C(Nc1ncccc1Cl)c1cccc(Cl)c1 ZINC000000433979 567930686 /nfs/dbraw/zinc/93/06/86/567930686.db2.gz 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570273015 /nfs/dbraw/zinc/27/30/15/570273015.db2.gz JDGZUUROMHRTOY-UHFFFAOYSA-N 0 0 297.383 3.676 50 0 CHAARN CC(=O)Nc1cccc(OCc2cc(C)ccc2C)c1 ZINC000005462102 570275031 /nfs/dbraw/zinc/27/50/31/570275031.db2.gz UBKWMFAIZZBWPM-UHFFFAOYSA-N 0 0 269.344 3.841 50 0 CHAARN CC(=O)Nc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1 ZINC000003417648 570275061 /nfs/dbraw/zinc/27/50/61/570275061.db2.gz GNWAIYVJBSCUPU-ZDUSSCGKSA-N 0 0 296.370 3.777 50 0 CHAARN CC(C)(C)OC(=O)n1c(CO)cc2c1cccc2Cl ZINC000584906610 570275656 /nfs/dbraw/zinc/27/56/56/570275656.db2.gz MJELCIINMGHXDG-UHFFFAOYSA-N 0 0 281.739 3.570 50 0 CHAARN CCc1ccc(CCC(=O)NC2CCCCC2)cc1 ZINC000010335322 570281639 /nfs/dbraw/zinc/28/16/39/570281639.db2.gz MAKCQUTWPYZPRQ-UHFFFAOYSA-N 0 0 259.393 3.631 50 0 CHAARN Cc1cccc(-n2c(CC(C)C)nc3ccccc3c2=O)c1 ZINC000000509298 570284159 /nfs/dbraw/zinc/28/41/59/570284159.db2.gz YAHMBIJPCCERNJ-UHFFFAOYSA-N 0 0 292.382 3.893 50 0 CHAARN CCO[P@](=O)(CC(=O)c1ccccc1)c1ccccc1 ZINC000000520088 570285461 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/nfs/dbraw/zinc/32/84/85/570328485.db2.gz RHSXHUIQEHINBO-UHFFFAOYSA-N 0 0 285.105 3.780 50 0 CHAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccccc1)C2 ZINC000012618106 570329729 /nfs/dbraw/zinc/32/97/29/570329729.db2.gz WTMOOJWEPSAJBC-OAHLLOKOSA-N 0 0 269.369 3.651 50 0 CHAARN CCn1cc(C(=O)NCc2ccccc2)c2ccccc21 ZINC000004054169 570331126 /nfs/dbraw/zinc/33/11/26/570331126.db2.gz NWJNLKLBPHLUEG-UHFFFAOYSA-N 0 0 278.355 3.591 50 0 CHAARN Cc1ccc(Cn2cnc3c2cc(C)c(C)c3N)cc1 ZINC000001385938 570332985 /nfs/dbraw/zinc/33/29/85/570332985.db2.gz BTNZQMPXHVBKEC-UHFFFAOYSA-N 0 0 265.360 3.592 50 0 CHAARN COc1ccccc1[C@@H](C)NC(=O)CCc1ccccc1 ZINC000015471801 570333058 /nfs/dbraw/zinc/33/30/58/570333058.db2.gz XYMDDLYYCFBABL-CQSZACIVSA-N 0 0 283.371 3.505 50 0 CHAARN Fc1ccc(OCc2nc(-c3cccs3)no2)c(F)c1 ZINC000001420993 570335250 /nfs/dbraw/zinc/33/52/50/570335250.db2.gz ZWUWGJHLMFZFCR-UHFFFAOYSA-N 0 0 294.282 3.655 50 0 CHAARN C[C@H](Cc1ccoc1)NC(=O)Nc1cccc(Cl)c1 ZINC000084855215 570337496 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/nfs/dbraw/zinc/34/76/78/570347678.db2.gz YOSNGDXJSNLHEL-HNNXBMFYSA-N 0 0 294.345 3.610 50 0 CHAARN C[C@H](Cc1ccccc1)NC(=O)c1ccnc2ccccc21 ZINC000669369066 570350211 /nfs/dbraw/zinc/35/02/11/570350211.db2.gz YWEXRSHDLSLXPA-CQSZACIVSA-N 0 0 290.366 3.596 50 0 CHAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000013005236 570354326 /nfs/dbraw/zinc/35/43/26/570354326.db2.gz NWIPCHUZRIEJAC-CQSZACIVSA-N 0 0 295.382 3.890 50 0 CHAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1F ZINC000013004860 570354329 /nfs/dbraw/zinc/35/43/29/570354329.db2.gz YXDYIBJIFQPPHV-LLVKDONJSA-N 0 0 291.297 3.679 50 0 CHAARN COc1ccc2c(c1)oc(C)c(Oc1ccccc1)c2=O ZINC000000273192 570357303 /nfs/dbraw/zinc/35/73/03/570357303.db2.gz MVCRBZMJOMPTSF-UHFFFAOYSA-N 0 0 282.295 3.902 50 0 biogenic CHAARN O=C(Nc1cnc(-c2ccc(F)cc2)nc1)c1ccccc1 ZINC000064542928 570358720 /nfs/dbraw/zinc/35/87/20/570358720.db2.gz PFOMRHCMCYDHOA-UHFFFAOYSA-N 0 0 293.301 3.535 50 0 CHAARN O=C(Nc1cc(-c2ccccn2)no1)c1cccc(Cl)c1 ZINC000065152746 570360084 /nfs/dbraw/zinc/36/00/84/570360084.db2.gz NYFQFTOGHOLVHI-UHFFFAOYSA-N 0 0 299.717 3.642 50 0 CHAARN CC(C)n1nc(CNC(=O)c2cccs2)c2ccccc21 ZINC000065219842 570360348 /nfs/dbraw/zinc/36/03/48/570360348.db2.gz HYUIIDCQXBSSRR-UHFFFAOYSA-N 0 0 299.399 3.609 50 0 CHAARN O=C(NCc1ccccc1)c1cc2cn(C3CC3)cc2s1 ZINC000065285570 570361491 /nfs/dbraw/zinc/36/14/91/570361491.db2.gz BBFWYXIOZYIPEA-UHFFFAOYSA-N 0 0 296.395 3.968 50 0 CHAARN O=C(NCC1CC1)c1cc2cn(C3CCCC3)cc2s1 ZINC000065285791 570361545 /nfs/dbraw/zinc/36/15/45/570361545.db2.gz PKCBDBSWNYELJI-UHFFFAOYSA-N 0 0 288.416 3.958 50 0 CHAARN Cc1nc(C(=O)Nc2ccc(Cl)c(C)c2)c(C)o1 ZINC000065293386 570361869 /nfs/dbraw/zinc/36/18/69/570361869.db2.gz FRDATJUBOHEQRP-UHFFFAOYSA-N 0 0 264.712 3.506 50 0 CHAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(Cl)cc1 ZINC000250236736 570364209 /nfs/dbraw/zinc/36/42/09/570364209.db2.gz DYJFROHVVAUQDU-CFVMTHIKSA-N 0 0 293.794 3.558 50 0 CHAARN O=C(Nc1ccc2c3c(cccc31)CC2)[C@@H]1C[C@H]1C1CC1 ZINC000089807772 570368575 /nfs/dbraw/zinc/36/85/75/570368575.db2.gz YQLYYWPQTOHMDG-JKSUJKDBSA-N 0 0 277.367 3.923 50 0 CHAARN O=C(Nc1ccc2c3c(cccc31)CC2)[C@@H]1C[C@@H]1C1CC1 ZINC000089807770 570368690 /nfs/dbraw/zinc/36/86/90/570368690.db2.gz YQLYYWPQTOHMDG-HZPDHXFCSA-N 0 0 277.367 3.923 50 0 CHAARN O=C(Nc1ccc(C2CCCCC2)cc1)c1cnccn1 ZINC000000418319 570369657 /nfs/dbraw/zinc/36/96/57/570369657.db2.gz ITBDHVOHQMXCCD-UHFFFAOYSA-N 0 0 281.359 3.777 50 0 CHAARN Cc1ccc(COc2ccc(Cl)cc2CO)cc1 ZINC000000476664 570369683 /nfs/dbraw/zinc/36/96/83/570369683.db2.gz GLPDRGWZZXMUFZ-UHFFFAOYSA-N 0 0 262.736 3.720 50 0 CHAARN CC[C@@H](C)NC(=O)C1=Cc2sc(C)c(C)c2CS1 ZINC000009211357 570369889 /nfs/dbraw/zinc/36/98/89/570369889.db2.gz MKOVGCDBWKRLCK-MRVPVSSYSA-N 0 0 281.446 3.867 50 0 CHAARN CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1F ZINC000001059790 570370304 /nfs/dbraw/zinc/37/03/04/570370304.db2.gz ROFWDWBZKHHBRP-CQSZACIVSA-N 0 0 271.335 3.577 50 0 CHAARN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000170652403 570376036 /nfs/dbraw/zinc/37/60/36/570376036.db2.gz DTYHLCHMLPYVNX-UWVGGRQHSA-N 0 0 281.318 3.880 50 0 CHAARN Cc1nc2c(c(-c3ccccc3)c1N)C(=O)CC(C)(C)C2 ZINC000003863613 570378943 /nfs/dbraw/zinc/37/89/43/570378943.db2.gz CUTYDLAYFUMSAC-UHFFFAOYSA-N 0 0 280.371 3.794 50 0 biogenic CHAARN CCOC(=O)c1sc(-c2c[nH]c3ccccc32)nc1C ZINC000004294191 570380051 /nfs/dbraw/zinc/38/00/51/570380051.db2.gz HCDJPXTYNKXBHO-UHFFFAOYSA-N 0 0 286.356 3.777 50 0 CHAARN C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O ZINC000004343505 570380085 /nfs/dbraw/zinc/38/00/85/570380085.db2.gz FMGSKLZLMKYGDP-NBBHSKLNSA-N 0 0 288.431 3.879 50 0 CHAARN CCCn1c(C)cc(-c2csc(NCCOC)n2)c1C ZINC000007843509 570380142 /nfs/dbraw/zinc/38/01/42/570380142.db2.gz BJODBRVFOWSZTD-UHFFFAOYSA-N 0 0 293.436 3.697 50 0 CHAARN CS[C@H]1CC[C@H](N(C)C(=O)Nc2ccccc2F)C1 ZINC000098019220 570383175 /nfs/dbraw/zinc/38/31/75/570383175.db2.gz ARKFUXISIAKFLU-QWRGUYRKSA-N 0 0 282.384 3.574 50 0 CHAARN O=c1[nH]c2ccccc2nc1/C(Cl)=C\c1ccccc1 ZINC000098054437 570384063 /nfs/dbraw/zinc/38/40/63/570384063.db2.gz ZPSIQZKIRHPDLA-ZRDIBKRKSA-N 0 0 282.730 3.660 50 0 CHAARN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccoc2C2CC2)C1 ZINC000253395986 570384697 /nfs/dbraw/zinc/38/46/97/570384697.db2.gz WQYOUPWGEPJGSN-LRDDRELGSA-N 0 0 296.370 3.775 50 0 CHAARN CCN(C(=O)c1cccc2ccsc21)c1cccnc1 ZINC000253431060 570385642 /nfs/dbraw/zinc/38/56/42/570385642.db2.gz NRUBGMKOLWPKJK-UHFFFAOYSA-N 0 0 282.368 3.963 50 0 CHAARN Cc1cc(C)c(C=C2SC(=S)NC2=O)cc1C ZINC000056683736 570387180 /nfs/dbraw/zinc/38/71/80/570387180.db2.gz YQCOWZMUBBSVLP-IZZDOVSWSA-N 0 0 263.387 3.941 50 0 CHAARN CC(C)n1cnc2cc(NCc3ccncc3)ccc21 ZINC000002357723 570390482 /nfs/dbraw/zinc/39/04/82/570390482.db2.gz IJGDYTPQGXNSNP-UHFFFAOYSA-N 0 0 266.348 3.624 50 0 CHAARN CCCCCOc1ccc2c(C)cc(=O)oc2c1C(C)=O ZINC000002363565 570391063 /nfs/dbraw/zinc/39/10/63/570391063.db2.gz ZJADZYOKGYLQNP-UHFFFAOYSA-N 0 0 288.343 3.873 50 0 biogenic CHAARN CCOCCCC(=O)N1[C@H](C)CCC[C@H]1c1ccccc1 ZINC000079059961 570396014 /nfs/dbraw/zinc/39/60/14/570396014.db2.gz YYGNUYPTLQGKDC-WBVHZDCISA-N 0 0 289.419 3.945 50 0 CHAARN CCOCCCC(=O)N1[C@@H](c2ccccc2)CCC[C@@H]1C ZINC000079059957 570396203 /nfs/dbraw/zinc/39/62/03/570396203.db2.gz YYGNUYPTLQGKDC-DOTOQJQBSA-N 0 0 289.419 3.945 50 0 CHAARN Cc1ccc(Cl)c(OCC(=O)Nc2ccc(F)cc2)c1 ZINC000002628434 570397201 /nfs/dbraw/zinc/39/72/01/570397201.db2.gz KKUTXBKYCKQMPU-UHFFFAOYSA-N 0 0 293.725 3.805 50 0 CHAARN CC[C@H](C)NC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000028576836 570397644 /nfs/dbraw/zinc/39/76/44/570397644.db2.gz YIIPKRBITCXIAF-NSHDSACASA-N 0 0 291.322 3.526 50 0 CHAARN Cc1ccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1F ZINC000031536584 570400723 /nfs/dbraw/zinc/40/07/23/570400723.db2.gz YUMKTYJRSYXKNV-UHFFFAOYSA-N 0 0 295.317 3.777 50 0 CHAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)c2ccccc2O1 ZINC000039372364 570401090 /nfs/dbraw/zinc/40/10/90/570401090.db2.gz WZZFYCUQUWHVRR-LJQANCHMSA-N 0 0 289.334 3.835 50 0 CHAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O ZINC000039737972 570401510 /nfs/dbraw/zinc/40/15/10/570401510.db2.gz NVKAWKQGWWIWPM-MKKWQDLQSA-N 0 0 290.447 3.959 50 0 CHAARN Cc1cnccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000069653915 570402204 /nfs/dbraw/zinc/40/22/04/570402204.db2.gz BTBZKGYUOUGBFJ-UHFFFAOYSA-N 0 0 294.276 3.590 50 0 CHAARN CCC(CC)C(=O)NCCCSc1ccccc1 ZINC000078539701 570405321 /nfs/dbraw/zinc/40/53/21/570405321.db2.gz AJYDBKCYHZRMTF-UHFFFAOYSA-N 0 0 265.422 3.721 50 0 CHAARN Cc1cccc(NC(=O)N2CCSc3ncccc32)c1C ZINC000020564961 570408344 /nfs/dbraw/zinc/40/83/44/570408344.db2.gz ROWXNZMXUVHZGH-UHFFFAOYSA-N 0 0 299.399 3.843 50 0 CHAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1C[C@H]1C ZINC000032787296 570409686 /nfs/dbraw/zinc/40/96/86/570409686.db2.gz CNHIKPNLBUBMQU-NRUUGDAUSA-N 0 0 251.757 3.515 50 0 CHAARN Cc1cc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c(C)o1 ZINC000032843071 570409791 /nfs/dbraw/zinc/40/97/91/570409791.db2.gz BCXICBSKBDTWPX-UHFFFAOYSA-N 0 0 297.354 3.532 50 0 CHAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccco1 ZINC000032787284 570409800 /nfs/dbraw/zinc/40/98/00/570409800.db2.gz GTDICBZPFTUJKR-JTQLQIEISA-N 0 0 263.724 3.766 50 0 CHAARN COc1ccc(C2=CCN(C(=O)c3ccc(C)o3)CC2)cc1 ZINC000040539879 570412071 /nfs/dbraw/zinc/41/20/71/570412071.db2.gz ULEPWAVYUOPLEN-UHFFFAOYSA-N 0 0 297.354 3.526 50 0 CHAARN Cc1ccc(NC(=O)N(C)Cc2ccc(O)cc2)cc1F ZINC000048325061 570412514 /nfs/dbraw/zinc/41/25/14/570412514.db2.gz QRUQOCRGKIZZEH-UHFFFAOYSA-N 0 0 288.322 3.504 50 0 CHAARN Cc1ccc(F)cc1NC(=O)N[C@@H](C)c1ccco1 ZINC000048324451 570412556 /nfs/dbraw/zinc/41/25/56/570412556.db2.gz VQKBXQRRWUYJBO-JTQLQIEISA-N 0 0 262.284 3.610 50 0 CHAARN CCCC[C@H]([NH2+]Cc1ccc(OC)nc1)c1cccnc1 ZINC000952975458 614487606 /nfs/dbraw/zinc/48/76/06/614487606.db2.gz IWUUWBGTTIUKRY-INIZCTEOSA-N 0 0 285.391 3.506 50 0 CHAARN CCCN(Cc1[nH]c(CC)nc1C)Cc1ccccc1F ZINC000952983119 614585656 /nfs/dbraw/zinc/58/56/56/614585656.db2.gz UXPNKWHEKXTGOO-UHFFFAOYSA-N 0 0 289.398 3.832 50 0 CHAARN CC[C@@H]1C=CCN1C(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000952972980 615551160 /nfs/dbraw/zinc/55/11/60/615551160.db2.gz XDUFROIQSCDYTH-CYBMUJFWSA-N 0 0 294.398 3.837 50 0 CHAARN CCCS(=O)(=O)N1CCCCC[C@H]1c1cccc(C)c1 ZINC000064983874 1125675088 /nfs/dbraw/zinc/67/50/88/1125675088.db2.gz UHUGFDVXGNFCJC-INIZCTEOSA-N 0 0 295.448 3.652 50 0 CHAARN COc1cccc(C=CC(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000003479702 1125693756 /nfs/dbraw/zinc/69/37/56/1125693756.db2.gz XEOCGNAKGVMPQB-IZZDOVSWSA-N 0 0 295.338 3.550 50 0 CHAARN CCOc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1 ZINC000003483072 1125695409 /nfs/dbraw/zinc/69/54/09/1125695409.db2.gz UYQLVDVHUYWJSJ-IZZDOVSWSA-N 0 0 285.318 3.876 50 0 CHAARN O=C(/C=C/c1cccc(F)c1)Nc1ccc2c(c1)CCC2 ZINC000003556216 1125699842 /nfs/dbraw/zinc/69/98/42/1125699842.db2.gz HONFJABEIVXZLM-JXMROGBWSA-N 0 0 281.330 3.966 50 0 CHAARN CC(C)(C)OC(=O)Nc1cc(Br)ccc1F ZINC000083502189 1125727228 /nfs/dbraw/zinc/72/72/28/1125727228.db2.gz RWCBOIDTQSHUQI-UHFFFAOYSA-N 0 0 290.132 3.935 50 0 CHAARN CCCc1noc2c1C(=O)C[C@@H](C[C@@H](C)SCC)C2 ZINC000000196763 1129733912 /nfs/dbraw/zinc/73/39/12/1129733912.db2.gz OLHVLKQRRXYHLZ-GHMZBOCLSA-N 0 0 281.421 3.904 50 0 CHAARN CC(C)CC(=O)NCc1cccnc1-c1ccc(F)cc1 ZINC000065171264 1126735200 /nfs/dbraw/zinc/73/52/00/1126735200.db2.gz SIMCBAPEOZMNJC-UHFFFAOYSA-N 0 0 286.350 3.550 50 0 CHAARN CC(C)(C)C(=O)N1CCC(CCOc2ccccc2)CC1 ZINC000065180570 1126736422 /nfs/dbraw/zinc/73/64/22/1126736422.db2.gz WDOXQMBRIAHXDF-UHFFFAOYSA-N 0 0 289.419 3.740 50 0 CHAARN Oc1ccc(O)c(-c2c[nH]nc2-c2ccc(Cl)cc2)c1 ZINC000524734401 1126793096 /nfs/dbraw/zinc/79/30/96/1126793096.db2.gz BIHVNIGZPDLGJS-UHFFFAOYSA-N 0 0 286.718 3.808 50 0 CHAARN CN(Cc1csc2ccccc12)C(=O)Cc1ccco1 ZINC000083867677 1126794660 /nfs/dbraw/zinc/79/46/60/1126794660.db2.gz FMOWZSWUIDCNBN-UHFFFAOYSA-N 0 0 285.368 3.695 50 0 CHAARN CC(C)SC1=NN/C(=C2\C=Nc3ccccc32)N1C1CC1 ZINC000107222143 1126815916 /nfs/dbraw/zinc/81/59/16/1126815916.db2.gz QPCPOTJGDLSSLI-SQFISAMPSA-N 0 0 298.415 3.551 50 0 CHAARN Cc1cnccc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000107292094 1126820415 /nfs/dbraw/zinc/82/04/15/1126820415.db2.gz NPJFALCJRIIPOX-SNVBAGLBSA-N 0 0 286.400 3.829 50 0 CHAARN CCOc1cc(C=NNc2cccc(Cl)c2)ccc1O ZINC000254351137 1127078173 /nfs/dbraw/zinc/07/81/73/1127078173.db2.gz WEZWFHWJPALEFY-UHFFFAOYSA-N 0 0 290.750 3.890 50 0 CHAARN CC(C)CNC(=S)Nc1ccccc1C(C)(C)C ZINC000013794030 1127562210 /nfs/dbraw/zinc/56/22/10/1127562210.db2.gz SIWYNXHHCKOGLX-UHFFFAOYSA-N 0 0 264.438 3.927 50 0 CHAARN CCCCNC(=O)c1cc(C[C@H](C)c2ccccc2)no1 ZINC000299765164 1127746958 /nfs/dbraw/zinc/74/69/58/1127746958.db2.gz JLBQVAFKBBWVHT-ZDUSSCGKSA-N 0 0 286.375 3.551 50 0 CHAARN Cc1ccc(C(=O)N2CCCN(C)c3ccccc32)c(C)c1 ZINC000172429320 1127762157 /nfs/dbraw/zinc/76/21/57/1127762157.db2.gz ATQHWMLACATIBY-UHFFFAOYSA-N 0 0 294.398 3.790 50 0 CHAARN CCCSc1n[nH]c(C=Cc2cccs2)n1 ZINC000012947193 1127943622 /nfs/dbraw/zinc/94/36/22/1127943622.db2.gz XHPSNRGMNNDOKI-AATRIKPKSA-N 0 0 251.380 3.539 50 0 CHAARN FC(F)(F)c1cccc(-c2noc([C@@H]3CCCCO3)n2)c1 ZINC000151650019 1128071465 /nfs/dbraw/zinc/07/14/65/1128071465.db2.gz LZCHMSVFOAMLLS-NSHDSACASA-N 0 0 298.264 3.997 50 0 CHAARN Cc1ccc([C@@H](C)NCc2nnc(-c3ccccc3)s2)o1 ZINC000090400935 1128089552 /nfs/dbraw/zinc/08/95/52/1128089552.db2.gz VKFFVQLJGCUSGU-GFCCVEGCSA-N 0 0 299.399 3.957 50 0 CHAARN Cc1cccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000031561803 1128151253 /nfs/dbraw/zinc/15/12/53/1128151253.db2.gz SRQPYNBICNSLNH-UHFFFAOYSA-N 0 0 277.327 3.637 50 0 CHAARN O=C(NCc1cccnc1)Nc1ccc(Cl)c(Cl)c1 ZINC000000149982 1128164297 /nfs/dbraw/zinc/16/42/97/1128164297.db2.gz GIZKRKBHSIQFND-UHFFFAOYSA-N 0 0 296.157 3.710 50 0 CHAARN Cc1ccc(C=NNc2ccc(F)cc2F)s1 ZINC000254707906 1128169554 /nfs/dbraw/zinc/16/95/54/1128169554.db2.gz MWYGJDFNODCTNT-UHFFFAOYSA-N 0 0 252.289 3.781 50 0 CHAARN C(=CN=Nc1ncnc2ccccc21)Cc1ccccc1 ZINC000254737767 1128195545 /nfs/dbraw/zinc/19/55/45/1128195545.db2.gz PEUVRKKQMRURAM-OXCWHKMQSA-N 0 0 274.327 3.741 50 0 CHAARN 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/nfs/dbraw/zinc/97/01/16/566970116.db2.gz GAGMXGJDBATQFT-UHFFFAOYSA-N 0 0 294.354 3.748 50 0 CHAARN CC(N=Nc1ccc(C(F)(F)F)cn1)c1ccccc1O ZINC000252457343 566973508 /nfs/dbraw/zinc/97/35/08/566973508.db2.gz AIILDHIURKQTDS-UHFFFAOYSA-N 0 0 295.264 3.642 50 0 CHAARN COc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000000312499 566974704 /nfs/dbraw/zinc/97/47/04/566974704.db2.gz BPZDSNUGLUDKNR-UHFFFAOYSA-N 0 0 296.322 3.689 50 0 biogenic CHAARN CCCOc1ccc2c(C)c(CCC)c(=O)oc2c1 ZINC000001893439 566975115 /nfs/dbraw/zinc/97/51/15/566975115.db2.gz MSXNDLCBEFXEPY-UHFFFAOYSA-N 0 0 260.333 3.843 50 0 biogenic CHAARN C[C@@H]1CCC[C@H](OCc2nnc(-c3ccccc3)o2)C1 ZINC000521393742 566977179 /nfs/dbraw/zinc/97/71/79/566977179.db2.gz RJHNFFLVOQOQJV-OCCSQVGLSA-N 0 0 272.348 3.832 50 0 CHAARN CCN(C)C(=O)c1cccc(OCCSCC(C)C)c1 ZINC000089508489 566977749 /nfs/dbraw/zinc/97/77/49/566977749.db2.gz JNCOLMOTVWEPMQ-UHFFFAOYSA-N 0 0 295.448 3.547 50 0 CHAARN CCCc1nc(C)cc(-c2ccc(C(C)=O)s2)n1 ZINC000426396370 566989043 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Cc1ccc(-c2noc(CCc3ccccc3)n2)cc1 ZINC000000443098 567830410 /nfs/dbraw/zinc/83/04/10/567830410.db2.gz MIYIOYSJGIEFCH-UHFFFAOYSA-N 0 0 264.328 3.830 50 0 CHAARN Cc1cc(C(=O)Nc2cccc3ccccc32)co1 ZINC000000446272 567830543 /nfs/dbraw/zinc/83/05/43/567830543.db2.gz GYXAEQNRKWUOIK-UHFFFAOYSA-N 0 0 251.285 3.994 50 0 CHAARN CC(C)C(=O)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 ZINC000000447565 567830600 /nfs/dbraw/zinc/83/06/00/567830600.db2.gz JQDGKMFGFVCAIM-UHFFFAOYSA-N 0 0 296.326 3.795 50 0 CHAARN CCC[C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000000444067 567830623 /nfs/dbraw/zinc/83/06/23/567830623.db2.gz MUXGYYQUXLSEMG-HNNXBMFYSA-N 0 0 273.420 3.904 50 0 CHAARN COC(=O)c1c2c(sc1-n1c(C)ccc1C)CCCC2 ZINC000000449599 567830649 /nfs/dbraw/zinc/83/06/49/567830649.db2.gz QMMDXMDOMXKUGZ-UHFFFAOYSA-N 0 0 289.400 3.821 50 0 CHAARN O=C(Nc1ccc(F)cc1F)N1CCc2ccccc21 ZINC000000453162 567831134 /nfs/dbraw/zinc/83/11/34/567831134.db2.gz PIMZMVRQDVLHDH-UHFFFAOYSA-N 0 0 274.270 3.559 50 0 CHAARN CC(=O)c1ccccc1OCC(=O)c1ccc(C)c(C)c1 ZINC000000460471 567831313 /nfs/dbraw/zinc/83/13/13/567831313.db2.gz SBRSYBXFQIWGPG-UHFFFAOYSA-N 0 0 282.339 3.768 50 0 CHAARN COc1ccc2nc(NC(=O)c3cccc(C)c3)sc2c1 ZINC000000456801 567831341 /nfs/dbraw/zinc/83/13/41/567831341.db2.gz LJVIDRQEMOHZLB-UHFFFAOYSA-N 0 0 298.367 3.866 50 0 CHAARN CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000458554 567831347 /nfs/dbraw/zinc/83/13/47/567831347.db2.gz WAUDDQSSSLMZJQ-UHFFFAOYSA-N 0 0 251.635 3.707 50 0 CHAARN C=Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000000467102 567831559 /nfs/dbraw/zinc/83/15/59/567831559.db2.gz VUHUHMYVQTYPPY-UHFFFAOYSA-N 0 0 253.301 3.591 50 0 CHAARN CC(C)c1nnc(NC(=O)CCC2CCCCC2)s1 ZINC000000464074 567831549 /nfs/dbraw/zinc/83/15/49/567831549.db2.gz HIBHJCRLGYMIAN-UHFFFAOYSA-N 0 0 281.425 3.961 50 0 CHAARN Cc1ccccc1C(=O)Nc1ccccc1N1CCCC1 ZINC000000464647 567831655 /nfs/dbraw/zinc/83/16/55/567831655.db2.gz RWFVOOILXRYRIB-UHFFFAOYSA-N 0 0 280.371 3.848 50 0 CHAARN FC(F)(F)c1cc(-c2ccccc2)nc(N2CCCC2)n1 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/nfs/dbraw/zinc/83/64/83/567836483.db2.gz HKFVKSQAGLCOPV-UHFFFAOYSA-N 0 0 274.323 3.586 50 0 CHAARN COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OC ZINC000001387047 567836740 /nfs/dbraw/zinc/83/67/40/567836740.db2.gz GOOMUHBHUSAARV-UHFFFAOYSA-N 0 0 299.305 3.530 50 0 CHAARN O=C1CCCc2ccccc2N1Cc1ccccc1 ZINC000001392702 567836870 /nfs/dbraw/zinc/83/68/70/567836870.db2.gz HLKHTLWDRXPRRV-UHFFFAOYSA-N 0 0 251.329 3.556 50 0 CHAARN O=C(c1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000001396637 567837126 /nfs/dbraw/zinc/83/71/26/567837126.db2.gz BMGWEDZKCXRPNQ-UHFFFAOYSA-N 0 0 285.652 3.985 50 0 CHAARN Cc1cc(C(=O)[C@H](O)c2cc(C)sc2C)c(C)s1 ZINC000001430746 567837184 /nfs/dbraw/zinc/83/71/84/567837184.db2.gz BPLURASZMUXCIB-CYBMUJFWSA-N 0 0 280.414 3.960 50 0 CHAARN c1ccc(-n2nnnc2Oc2cccc3ccccc32)cc1 ZINC000001442048 567837206 /nfs/dbraw/zinc/83/72/06/567837206.db2.gz SIQIQDNJOKALFL-UHFFFAOYSA-N 0 0 288.310 3.608 50 0 CHAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccoc1C ZINC000010541037 567837747 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/nfs/dbraw/zinc/84/65/70/567846570.db2.gz PHWJTLIRGOXVTE-UHFFFAOYSA-N 0 0 279.383 3.740 50 0 CHAARN COc1ccccc1CCC(=O)c1ccc(F)c(F)c1 ZINC000002516485 567846711 /nfs/dbraw/zinc/84/67/11/567846711.db2.gz YDJAQWZFUQMWJZ-UHFFFAOYSA-N 0 0 276.282 3.789 50 0 CHAARN CCOc1ccc(NCCC(=O)c2ccc(OC)cc2)cc1 ZINC000002521011 567847377 /nfs/dbraw/zinc/84/73/77/567847377.db2.gz QZJMRTVNHRZYOA-UHFFFAOYSA-N 0 0 299.370 3.779 50 0 CHAARN Cc1cc(N)cc(-c2nc3ccccc3s2)c1O ZINC000002518433 567847538 /nfs/dbraw/zinc/84/75/38/567847538.db2.gz KWMAQNCNWBCYAY-UHFFFAOYSA-N 0 0 256.330 3.560 50 0 CHAARN O=Cc1cn(Cc2cccc(F)c2)nc1-c1ccccc1 ZINC000002557872 567847987 /nfs/dbraw/zinc/84/79/87/567847987.db2.gz SWVMEQAOLLNPIN-UHFFFAOYSA-N 0 0 280.302 3.550 50 0 CHAARN COc1ccccc1C(=O)c1ccc(Br)cc1 ZINC000002574615 567848346 /nfs/dbraw/zinc/84/83/46/567848346.db2.gz JODQDJQTOLNYPX-UHFFFAOYSA-N 0 0 291.144 3.689 50 0 CHAARN CCn1c(=S)[nH]nc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000002573490 567848401 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C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@H]2O ZINC000003815415 567853512 /nfs/dbraw/zinc/85/35/12/567853512.db2.gz VOXZDWNPVJITMN-SFFUCWETSA-N 0 0 272.388 3.609 50 0 endogenous,in-man CHAARN COc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000003897316 567854313 /nfs/dbraw/zinc/85/43/13/567854313.db2.gz CCMPPBOTMXZGKK-UHFFFAOYSA-N 0 0 299.414 3.641 50 0 biogenic CHAARN O=C(COc1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000003958649 567854481 /nfs/dbraw/zinc/85/44/81/567854481.db2.gz GFGQFWHDTJJGFN-UHFFFAOYSA-N 0 0 295.260 3.723 50 0 CHAARN Clc1ccc(C2=NN(c3ccccc3)CC2)cc1 ZINC000004016629 567854623 /nfs/dbraw/zinc/85/46/23/567854623.db2.gz GKZCWFUPZLSXQG-UHFFFAOYSA-N 0 0 256.736 3.954 50 0 CHAARN O=C1c2ccccc2C(O)(c2ccccc2)c2ccccc21 ZINC000004100579 567854929 /nfs/dbraw/zinc/85/49/29/567854929.db2.gz GPYIJEJINDRVKK-UHFFFAOYSA-N 0 0 286.330 3.515 50 0 CHAARN Fc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1 ZINC000004025480 567855185 /nfs/dbraw/zinc/85/51/85/567855185.db2.gz IKXGNKHCUZDMCC-UHFFFAOYSA-N 0 0 267.307 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CCCCCCOC(=O)/C=C/C(=O)OCCCCCC ZINC000004567052 567858154 /nfs/dbraw/zinc/85/81/54/567858154.db2.gz QMCVOSQFZZCSLN-VAWYXSNFSA-N 0 0 284.396 3.790 50 0 CHAARN CC(=O)c1cccc(NC(=O)CCc2ccc(C)s2)c1 ZINC000004540258 567858296 /nfs/dbraw/zinc/85/82/96/567858296.db2.gz OSAGHBUKYPFSBT-UHFFFAOYSA-N 0 0 287.384 3.830 50 0 CHAARN CCCCC(=O)Nc1cccc(NC(=O)CCC)c1 ZINC000004672683 567859000 /nfs/dbraw/zinc/85/90/00/567859000.db2.gz FRQAXNMCUARGCQ-UHFFFAOYSA-N 0 0 262.353 3.554 50 0 CHAARN CCC[C@H](C)C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000004694456 567859302 /nfs/dbraw/zinc/85/93/02/567859302.db2.gz XEXHTVZFDVCIRH-NSHDSACASA-N 0 0 289.404 3.504 50 0 CHAARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3C[C@H](O)CC[C@]3(C)[C@@H]1[C@H](O)C2 ZINC000005276533 567859600 /nfs/dbraw/zinc/85/96/00/567859600.db2.gz YOGRGJCUTNCLJZ-JWFKEXIPSA-N 0 0 292.463 3.751 50 0 CHAARN C[C@H](SCCCn1ccnc1)c1cccs1 ZINC000097375571 567859855 /nfs/dbraw/zinc/85/98/55/567859855.db2.gz NOUBCEAKFGFTIS-NSHDSACASA-N 0 0 252.408 3.829 50 0 CHAARN COc1ccc(C)c2sc(NC(=O)C(C)(C)C)nc21 ZINC000002713953 567860116 /nfs/dbraw/zinc/86/01/16/567860116.db2.gz XUYUFWYNZLXHPL-UHFFFAOYSA-N 0 0 278.377 3.598 50 0 CHAARN CC[C@@H](NC(=O)c1ccc(C)s1)c1ccccc1 ZINC000002770145 567860422 /nfs/dbraw/zinc/86/04/22/567860422.db2.gz XGHWVOGHIHIODL-CYBMUJFWSA-N 0 0 259.374 3.938 50 0 CHAARN Cc1nnc(NC(=O)/C=C/c2ccc(C(C)C)cc2)s1 ZINC000002773356 567860474 /nfs/dbraw/zinc/86/04/74/567860474.db2.gz DFIJETKQNGALGT-RMKNXTFCSA-N 0 0 287.388 3.622 50 0 CHAARN O=C(Nc1ccc(Cl)cc1F)NC1CCCCC1 ZINC000002760264 567860498 /nfs/dbraw/zinc/86/04/98/567860498.db2.gz NAZYSPUDUDTETC-UHFFFAOYSA-N 0 0 270.735 3.933 50 0 CHAARN CCCC[C@H](CC)C(=O)N1CCN(c2ccccc2)CC1 ZINC000002737771 567860500 /nfs/dbraw/zinc/86/05/00/567860500.db2.gz FGRKJHNXUMUNTM-INIZCTEOSA-N 0 0 288.435 3.552 50 0 CHAARN Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(C)cc2C)n1 ZINC000008714441 567860864 /nfs/dbraw/zinc/86/08/64/567860864.db2.gz YTZVGZPHRPPUIH-HNNXBMFYSA-N 0 0 285.391 3.707 50 0 CHAARN 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/nfs/dbraw/zinc/92/64/08/567926408.db2.gz ASNFKFSUHGOHQZ-OAHLLOKOSA-N 0 0 295.448 3.565 50 0 CHAARN C[C@H](CC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000000296992 567926446 /nfs/dbraw/zinc/92/64/46/567926446.db2.gz JEPMPPZEWSYCGJ-CYBMUJFWSA-N 0 0 282.339 3.834 50 0 CHAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1cccs1 ZINC000000326287 567926624 /nfs/dbraw/zinc/92/66/24/567926624.db2.gz GSBQBMMGVLWGCR-WQLSENKSSA-N 0 0 289.743 3.746 50 0 CHAARN Cc1cc(C(F)(F)Cl)n2nc(-c3ccccc3)cc2n1 ZINC000000316152 567926749 /nfs/dbraw/zinc/92/67/49/567926749.db2.gz GFODWEUKUPZSPA-UHFFFAOYSA-N 0 0 293.704 3.993 50 0 CHAARN O=C(/C=C\c1cccc2ccccc12)NCc1ccco1 ZINC000033564341 567927642 /nfs/dbraw/zinc/92/76/42/567927642.db2.gz SKDPCUUXQSGRNQ-KHPPLWFESA-N 0 0 277.323 3.762 50 0 CHAARN C[C@H](c1ccccc1)N(C)C(=O)NCCc1ccccc1 ZINC000011760649 567928373 /nfs/dbraw/zinc/92/83/73/567928373.db2.gz DFVXXMHBYVJMBW-OAHLLOKOSA-N 0 0 282.387 3.632 50 0 CHAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCCC[C@H]2C)o1 ZINC000248049451 567928412 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/nfs/dbraw/zinc/92/88/29/567928829.db2.gz GQFDQXIZEOROCF-UHFFFAOYSA-N 0 0 292.338 3.927 50 0 CHAARN Cc1nc2c(c(NCc3ccccc3Cl)n1)CCC2 ZINC000012016426 567929154 /nfs/dbraw/zinc/92/91/54/567929154.db2.gz UOXIPFIVDKGKAX-UHFFFAOYSA-N 0 0 273.767 3.539 50 0 CHAARN Cc1ccc2c(=O)cc(-c3cccc(F)c3)oc2c1 ZINC000000266003 567929591 /nfs/dbraw/zinc/92/95/91/567929591.db2.gz MROIBHULTUGBPV-UHFFFAOYSA-N 0 0 254.260 3.908 50 0 CHAARN CCN(CC)c1ccc2c(C)c(Cl)c(=O)oc2c1 ZINC000000362975 567929682 /nfs/dbraw/zinc/92/96/82/567929682.db2.gz VSRUINQASTYMMO-UHFFFAOYSA-N 0 0 265.740 3.601 50 0 CHAARN Cc1ccc2cc3cc(C(=O)N4CCCC4)sc3nc2c1 ZINC000000420616 567930136 /nfs/dbraw/zinc/93/01/36/567930136.db2.gz PECHLNQFOSAQDK-UHFFFAOYSA-N 0 0 296.395 3.994 50 0 CHAARN C[C@@H]1CCC[C@H](CC(=O)N[C@H]2CCCC23CCOCC3)C1 ZINC000252550201 567930191 /nfs/dbraw/zinc/93/01/91/567930191.db2.gz SGRHWWJAESTBIN-PMPSAXMXSA-N 0 0 293.451 3.668 50 0 CHAARN S=c1nc2ccccc2c(NCCc2ccccc2)[nH]1 ZINC000000425508 567930513 /nfs/dbraw/zinc/93/05/13/567930513.db2.gz PXWFVFGEFNHDJJ-UHFFFAOYSA-N 0 0 281.384 3.947 50 0 CHAARN CC1=C[C@H](C)C2(COC3(CCCC3)OC2)[C@@H](C)C1 ZINC000000439664 567930680 /nfs/dbraw/zinc/93/06/80/567930680.db2.gz CVRCHHRUSASDOO-KBPBESRZSA-N 0 0 250.382 3.912 50 0 biogenic CHAARN Clc1ccc(COc2ncnc3sccc32)cc1 ZINC000066058629 567930690 /nfs/dbraw/zinc/93/06/90/567930690.db2.gz JPVCHMFDDKRFIS-UHFFFAOYSA-N 0 0 276.748 3.924 50 0 CHAARN O=C1OC(/C=C/c2ccc(Cl)cc2)=N/C1=C/c1ccco1 ZINC000000431117 567930801 /nfs/dbraw/zinc/93/08/01/567930801.db2.gz PVZQZNZPIBPPTG-HNTZWPLZSA-N 0 0 299.713 3.943 50 0 aggregator CHAARN CCC1(C(=O)N2CCC(c3ccccc3)CC2)CCC1 ZINC000075106956 567931225 /nfs/dbraw/zinc/93/12/25/567931225.db2.gz QCLVBQWGJSYPHP-UHFFFAOYSA-N 0 0 271.404 3.973 50 0 CHAARN CCC(CC)C(=O)Nc1ccc(Br)c(C)n1 ZINC000074240425 567931276 /nfs/dbraw/zinc/93/12/76/567931276.db2.gz DDYBIAWXRNIYOQ-UHFFFAOYSA-N 0 0 285.185 3.527 50 0 CHAARN CC(C)[C@H](Nc1ccccc1)c1nnnn1C1CCCCC1 ZINC000001020815 567931751 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/nfs/dbraw/zinc/35/85/82/570358582.db2.gz TZVNICGTUZGAMB-UHFFFAOYSA-N 0 0 293.326 3.763 50 0 CHAARN Cc1ccc(-c2cc(NC(=O)c3ccoc3)on2)s1 ZINC000065153346 570360080 /nfs/dbraw/zinc/36/00/80/570360080.db2.gz QGZLWEZPSXFFDI-UHFFFAOYSA-N 0 0 274.301 3.557 50 0 CHAARN Cc1oc(C2CCC2)nc1C(=O)NCC1CCCCC1 ZINC000065293565 570361888 /nfs/dbraw/zinc/36/18/88/570361888.db2.gz WWZPNKYMGFKUSD-UHFFFAOYSA-N 0 0 276.380 3.561 50 0 CHAARN CC(C)c1ccccc1NC(=O)NC[C@@H](O)c1ccccc1 ZINC000065606968 570362585 /nfs/dbraw/zinc/36/25/85/570362585.db2.gz ZILDFOYNZUHHDH-QGZVFWFLSA-N 0 0 298.386 3.665 50 0 CHAARN CC[C@@H](C(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 ZINC000013958011 570364773 /nfs/dbraw/zinc/36/47/73/570364773.db2.gz VKTKPHRJSNJMIZ-CYBMUJFWSA-N 0 0 279.343 3.695 50 0 CHAARN CC(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000088226831 570370108 /nfs/dbraw/zinc/37/01/08/570370108.db2.gz PMELHOPKXDYEOE-QGZVFWFLSA-N 0 0 285.774 3.986 50 0 CHAARN CN(C(=O)c1ccsc1)c1cccc2ncccc21 ZINC000089844706 570371126 /nfs/dbraw/zinc/37/11/26/570371126.db2.gz APJLOBWFNDMEBR-UHFFFAOYSA-N 0 0 268.341 3.573 50 0 CHAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(Cl)cc1 ZINC000227218829 570372275 /nfs/dbraw/zinc/37/22/75/570372275.db2.gz DYJFROHVVAUQDU-QEJZJMRPSA-N 0 0 293.794 3.558 50 0 CHAARN Cc1csc(=Nc2ccccc2)n1Cc1cccnc1 ZINC000252453013 570374227 /nfs/dbraw/zinc/37/42/27/570374227.db2.gz WFRMMGNZFDPMTH-UHFFFAOYSA-N 0 0 281.384 3.534 50 0 CHAARN FC(F)(F)c1cnc(N=NCc2ccco2)c(Cl)c1 ZINC000252457396 570374379 /nfs/dbraw/zinc/37/43/79/570374379.db2.gz FFKRGPCMOZYCST-UHFFFAOYSA-N 0 0 289.644 3.793 50 0 CHAARN COc1cccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c1 ZINC000003219911 570378879 /nfs/dbraw/zinc/37/88/79/570378879.db2.gz JJIHBVJKHMSIJA-RIYZIHGNSA-N 0 0 285.730 3.841 50 0 CHAARN Cc1coc(-c2cc(NC(=O)N3CCCC3)ccc2C)n1 ZINC000098020440 570383261 /nfs/dbraw/zinc/38/32/61/570383261.db2.gz SBGBKFONOGLILO-UHFFFAOYSA-N 0 0 285.347 3.586 50 0 CHAARN CCCCC[C@@H]1OC[C@]2(CO)[C@H](C)C=C(C)[C@H]1[C@@H]2C ZINC000012658039 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CCN(CC)C(=O)NCc1cccc(COC(C)(C)C)c1 ZINC000069812176 570402533 /nfs/dbraw/zinc/40/25/33/570402533.db2.gz WGHGQJFBLDRWKS-UHFFFAOYSA-N 0 0 292.423 3.553 50 0 CHAARN Cc1cnccc1NC(=O)CCc1ccc(Cl)s1 ZINC000069846988 570402892 /nfs/dbraw/zinc/40/28/92/570402892.db2.gz ANQGRHNWUTWVLG-UHFFFAOYSA-N 0 0 280.780 3.676 50 0 CHAARN C[C@@H]1c2ccsc2CCN1c1ncnc2sccc21 ZINC000009549809 570403988 /nfs/dbraw/zinc/40/39/88/570403988.db2.gz KBQLBWYWEIQJQQ-SECBINFHSA-N 0 0 287.413 3.877 50 0 CHAARN COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2C[C@@H]2C)cc1 ZINC000032823486 570409821 /nfs/dbraw/zinc/40/98/21/570409821.db2.gz ULQJVFOQBNRMGO-JQFCIGGWSA-N 0 0 287.403 3.795 50 0 CHAARN O=C(Nc1cccnc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000032900943 570410302 /nfs/dbraw/zinc/41/03/02/570410302.db2.gz YOGHOMOKFNNOKD-HNNXBMFYSA-N 0 0 285.322 3.590 50 0 CHAARN CC[C@H](C)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000032895527 570410398 /nfs/dbraw/zinc/41/03/98/570410398.db2.gz BVDRLUUODRXIOK-LBPRGKRZSA-N 0 0 286.375 3.580 50 0 CHAARN COc1ccc(Cl)cc1-c1ccnc(C)c1OC ZINC000952971801 617263445 /nfs/dbraw/zinc/26/34/45/617263445.db2.gz LFHYUDNOKJBKQO-UHFFFAOYSA-N 0 0 263.724 3.728 50 0 CHAARN CC(C)(C)CC(=O)NCC(c1ccco1)c1ccco1 ZINC000952964462 613908443 /nfs/dbraw/zinc/90/84/43/613908443.db2.gz BXOQODNQECKNPU-UHFFFAOYSA-N 0 0 275.348 3.557 50 0 CHAARN CCN(CC(C)(C)C)C(=O)c1c(C)cccc1OC ZINC000952989282 614950380 /nfs/dbraw/zinc/95/03/80/614950380.db2.gz CNBHWKXHYWXRFP-UHFFFAOYSA-N 0 0 263.381 3.512 50 0 CHAARN COCCCN(C)C(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC000952976442 616873378 /nfs/dbraw/zinc/87/33/78/616873378.db2.gz NZYABNNBHIPCHK-UHFFFAOYSA-N 0 0 297.398 3.771 50 0 CHAARN O=C(Nc1cccc(F)c1)Nc1cc(F)ccc1F ZINC000019075412 1121632973 /nfs/dbraw/zinc/63/29/73/1121632973.db2.gz BBKBGOSJSWILFU-UHFFFAOYSA-N 0 0 266.222 3.748 50 0 CHAARN Cc1csc(SCC(=O)Nc2cc(F)ccc2C)n1 ZINC000003413625 1125442514 /nfs/dbraw/zinc/44/25/14/1125442514.db2.gz VAVHBSXRTSLFAU-UHFFFAOYSA-N 0 0 296.392 3.630 50 0 CHAARN Cc1ccsc1CCC(=O)NC1CCC(F)(F)CC1 ZINC000585398370 1131907483 /nfs/dbraw/zinc/90/74/83/1131907483.db2.gz WHUZGEIFGLCNNB-UHFFFAOYSA-N 0 0 287.375 3.683 50 0 CHAARN Cc1ccc(NC(=S)NCc2ccc(Cl)cc2)nc1 ZINC000013837596 1125511520 /nfs/dbraw/zinc/51/15/20/1125511520.db2.gz QTZARAFWJDRBCI-UHFFFAOYSA-N 0 0 291.807 3.530 50 0 CHAARN CCCCC[C@@H](C)NC(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000013856418 1125512762 /nfs/dbraw/zinc/51/27/62/1125512762.db2.gz SKOJEOOFUHSXJW-GFCCVEGCSA-N 0 0 288.391 3.875 50 0 CHAARN CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 ZINC000014421451 1125520377 /nfs/dbraw/zinc/52/03/77/1125520377.db2.gz ZCWIJISZUNIRPB-ZDUSSCGKSA-N 0 0 287.359 3.547 50 0 CHAARN CCn1c(-c2ccc(N)c(O)c2)nc2cccc(Cl)c21 ZINC000037600154 1125623583 /nfs/dbraw/zinc/62/35/83/1125623583.db2.gz PHUASJIDXPTTJO-UHFFFAOYSA-N 0 0 287.750 3.664 50 0 CHAARN CC(C)(C)c1ccc2[nH]c(-c3nccs3)nc2c1 ZINC000055324990 1125658649 /nfs/dbraw/zinc/65/86/49/1125658649.db2.gz XFVPCBPLVSBRJZ-UHFFFAOYSA-N 0 0 257.362 3.984 50 0 CHAARN O=C1Nc2ccccc2/C1=C\c1ccccc1OC(F)F ZINC000003224274 1125680502 /nfs/dbraw/zinc/68/05/02/1125680502.db2.gz BLZMDWSNSWXKIO-FMIVXFBMSA-N 0 0 287.265 3.781 50 0 CHAARN O=C1Oc2ccccc2/C1=C/c1ccc(Cl)cc1 ZINC000003437646 1125691765 /nfs/dbraw/zinc/69/17/65/1125691765.db2.gz FUSJZGCVHVMNPT-LCYFTJDESA-N 0 0 256.688 3.800 50 0 CHAARN Cc1nc2cc(-c3noc(/C=C/c4ccco4)n3)ccc2o1 ZINC000065149669 1126730878 /nfs/dbraw/zinc/73/08/78/1126730878.db2.gz MSWQBJSYPOLLCK-FNORWQNLSA-N 0 0 293.282 3.950 50 0 CHAARN C[C@@H](NC(=O)/C=C\c1ccncc1)c1ccc(Cl)s1 ZINC000103430164 1126760457 /nfs/dbraw/zinc/76/04/57/1126760457.db2.gz NTJAEJMDOQFBFI-XJIUSYNZSA-N 0 0 292.791 3.687 50 0 CHAARN CCc1sc(C(=O)N[C@H](C)c2ccccn2)cc1C ZINC000036688731 1126796214 /nfs/dbraw/zinc/79/62/14/1126796214.db2.gz HTCKNRGBHSMTQX-LLVKDONJSA-N 0 0 274.389 3.505 50 0 CHAARN CCN(C(=O)c1ccc2c(c1)CCC2)[C@@H](C)c1cccnc1 ZINC000115227714 1127053962 /nfs/dbraw/zinc/05/39/62/1127053962.db2.gz WNINVPGFIJTTLM-AWEZNQCLSA-N 0 0 294.398 3.794 50 0 CHAARN Cc1[nH]nc(-c2ccccc2)c1-c1nc2ccccc2[nH]1 ZINC000003212872 1127218693 /nfs/dbraw/zinc/21/86/93/1127218693.db2.gz KLVGSFUMYVWKDT-UHFFFAOYSA-N 0 0 274.327 3.928 50 0 CHAARN C/C=C/C=C\C(=O)NCc1csc(-c2ccccc2)n1 ZINC000056696749 1127222957 /nfs/dbraw/zinc/22/29/57/1127222957.db2.gz SNYUCUBMRLPUSY-GQICYRDHSA-N 0 0 284.384 3.559 50 0 CHAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1Cl ZINC000250072666 1127471899 /nfs/dbraw/zinc/47/18/99/1127471899.db2.gz ANIHBXNOLWEZJC-GLQYFDAESA-N 0 0 293.794 3.558 50 0 CHAARN CCCCCNC(=S)Nc1ccccc1CC ZINC000013818886 1127565614 /nfs/dbraw/zinc/56/56/14/1127565614.db2.gz KPQHDSWELBBRJR-UHFFFAOYSA-N 0 0 250.411 3.726 50 0 CHAARN O=Cc1ccc(-c2ccc(F)c(F)c2F)cc1F ZINC000061837718 1127721265 /nfs/dbraw/zinc/72/12/65/1127721265.db2.gz BOMLJAZGCWCPCF-UHFFFAOYSA-N 0 0 254.182 3.723 50 0 CHAARN Cc1[nH]c2ccccc2c1/C=C1\N=C(C(C)(C)C)OC1=O ZINC000010214691 1127761036 /nfs/dbraw/zinc/76/10/36/1127761036.db2.gz OZIVFZIIBIZRGZ-ZROIWOOFSA-N 0 0 282.343 3.819 50 0 CHAARN CCc1ccc(C(=O)N2CCCN(C)c3ccccc32)cc1 ZINC000172427680 1127761515 /nfs/dbraw/zinc/76/15/15/1127761515.db2.gz IGSKHPIYDJOHRU-UHFFFAOYSA-N 0 0 294.398 3.736 50 0 CHAARN Clc1ccc(-c2nnn(C/C=C/c3ccccc3)n2)cc1 ZINC000011531440 1127788198 /nfs/dbraw/zinc/78/81/98/1127788198.db2.gz KHHMTEWUNACGHV-QPJJXVBHSA-N 0 0 296.761 3.707 50 0 CHAARN Cc1cc(C)cc(NC=C2N=C(c3ccccc3)OC2=O)c1 ZINC000012631481 1127906882 /nfs/dbraw/zinc/90/68/82/1127906882.db2.gz LCGFGOUOZDGIMX-WJDWOHSUSA-N 0 0 292.338 3.560 50 0 CHAARN c1cc(CNc2ccc(-c3csnn3)cc2)cs1 ZINC000089793839 1127918870 /nfs/dbraw/zinc/91/88/70/1127918870.db2.gz MXAGPXIDLWXMPE-UHFFFAOYSA-N 0 0 273.386 3.879 50 0 CHAARN c1coc(CN(Cc2ccco2)Cc2cnoc2C2CC2)c1 ZINC000089797714 1127919322 /nfs/dbraw/zinc/91/93/22/1127919322.db2.gz KHMJLAVDAVOGOU-UHFFFAOYSA-N 0 0 298.342 3.940 50 0 CHAARN Cc1ccc(/C=C2\N=C(c3cc(C)cc(C)c3)OC2=O)o1 ZINC000012799254 1127928087 /nfs/dbraw/zinc/92/80/87/1127928087.db2.gz MDHIATJWBAVWNW-DHDCSXOGSA-N 0 0 281.311 3.549 50 0 CHAARN O=C1OC(c2ccccc2)=N/C1=C\c1ccc(Cl)s1 ZINC000012971636 1127946204 /nfs/dbraw/zinc/94/62/04/1127946204.db2.gz JAYANGOXPBDDMD-FLIBITNWSA-N 0 0 289.743 3.746 50 0 CHAARN CCN1c2cc(OC)ccc2N=C(c2ccccc2)CC1=O ZINC000001513451 1128112948 /nfs/dbraw/zinc/11/29/48/1128112948.db2.gz AMXXJFVNOCFMHB-UHFFFAOYSA-N 0 0 294.354 3.573 50 0 CHAARN Cc1nnc([C@H](C)N2CCC(=Cc3ccccc3)CC2)o1 ZINC000089736212 1128121818 /nfs/dbraw/zinc/12/18/18/1128121818.db2.gz GMRAYXBTYDYRDP-ZDUSSCGKSA-N 0 0 283.375 3.618 50 0 CHAARN CCO[C@@H](C)c1nc(CN(C)c2cccc(O)c2)cs1 ZINC000170639748 1128158563 /nfs/dbraw/zinc/15/85/63/1128158563.db2.gz ASVUABHSLJZBHQ-NSHDSACASA-N 0 0 292.404 3.583 50 0 CHAARN c1[nH]c2ncccc2c1-c1csc(Nc2ccccn2)n1 ZINC000351860444 1128454185 /nfs/dbraw/zinc/45/41/85/1128454185.db2.gz IMLGDESMJBXEIV-UHFFFAOYSA-N 0 0 293.355 3.825 50 0 CHAARN C[C@@H](NC(=O)/C=C/c1ccco1)c1ccc(Cl)s1 ZINC000033191577 1128478485 /nfs/dbraw/zinc/47/84/85/1128478485.db2.gz WZDUFKVXTUINSU-ILFKPUCNSA-N 0 0 281.764 3.885 50 0 CHAARN 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CC[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000042145497 566846759 /nfs/dbraw/zinc/84/67/59/566846759.db2.gz NDHSCGIHGZQIJT-RYUDHWBXSA-N 0 0 291.420 3.981 50 0 CHAARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(C)n1 ZINC000012536669 566847404 /nfs/dbraw/zinc/84/74/04/566847404.db2.gz ITQZYDZDOUXJPA-UHFFFAOYSA-N 0 0 293.326 3.606 50 0 CHAARN Cc1ccccc1C(=O)NCCCn1ccc2ccccc21 ZINC000012555445 566848324 /nfs/dbraw/zinc/84/83/24/566848324.db2.gz PGIUOYFJZLIOQK-UHFFFAOYSA-N 0 0 292.382 3.770 50 0 CHAARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cccc(F)c1 ZINC000012554948 566848974 /nfs/dbraw/zinc/84/89/74/566848974.db2.gz LQGLBCJEOFUTQH-GFCCVEGCSA-N 0 0 298.361 3.754 50 0 CHAARN CC(C)[C@@H](C(=O)NCc1ccco1)c1ccc(Cl)cc1 ZINC000003292897 566850301 /nfs/dbraw/zinc/85/03/01/566850301.db2.gz UOXFRCKXFVMKBN-OAHLLOKOSA-N 0 0 291.778 3.989 50 0 CHAARN CCc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3C)n2)cc1 ZINC000003337089 566850591 /nfs/dbraw/zinc/85/05/91/566850591.db2.gz JOFBAIYXQVOHDR-GXFFZTMASA-N 0 0 286.400 3.967 50 0 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CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](C)C[C@@H]1C ZINC000095407513 567893174 /nfs/dbraw/zinc/89/31/74/567893174.db2.gz YYJKHSYWKMSSGB-NEPJUHHUSA-N 0 0 294.370 3.877 50 0 CHAARN FC(F)(F)COCc1cccc(Br)c1 ZINC000049600891 567893717 /nfs/dbraw/zinc/89/37/17/567893717.db2.gz CAYHGRNOMHKQTG-UHFFFAOYSA-N 0 0 269.060 3.528 50 0 CHAARN C[C@@H](CCNC(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000060338228 567893922 /nfs/dbraw/zinc/89/39/22/567893922.db2.gz WFGBLRCQXQABCJ-LBPRGKRZSA-N 0 0 289.325 3.888 50 0 CHAARN Cc1nc(C)c(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)o1 ZINC000074081676 567894065 /nfs/dbraw/zinc/89/40/65/567894065.db2.gz VGSCKXDGSMQGIW-CYBMUJFWSA-N 0 0 290.750 3.532 50 0 CHAARN CCCc1cccc2nc(-c3ccc(F)cc3)c(N)n21 ZINC000004625452 567894871 /nfs/dbraw/zinc/89/48/71/567894871.db2.gz VMQPDXBIANRQBD-UHFFFAOYSA-N 0 0 269.323 3.675 50 0 CHAARN C[C@@H](NC(=O)C[C@H]1C=CCC1)c1nc(-c2ccccc2)c[nH]1 ZINC000058194258 567895380 /nfs/dbraw/zinc/89/53/80/567895380.db2.gz JRMIMOLWSFNTFH-KGLIPLIRSA-N 0 0 295.386 3.610 50 0 CHAARN 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Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000011202982 567897092 /nfs/dbraw/zinc/89/70/92/567897092.db2.gz OIFSIKYTVKTRNM-QGZVFWFLSA-N 0 0 265.356 3.876 50 0 CHAARN Cn1c2ccccc2nc1[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000061997412 567897172 /nfs/dbraw/zinc/89/71/72/567897172.db2.gz GDTXLLKXZIVJCC-KRWDZBQOSA-N 0 0 294.398 3.953 50 0 CHAARN COc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000011202392 567897187 /nfs/dbraw/zinc/89/71/87/567897187.db2.gz IKTOEDGMXZDARL-QGZVFWFLSA-N 0 0 281.355 3.576 50 0 CHAARN CSC[C@@H](C)C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000096412483 567897205 /nfs/dbraw/zinc/89/72/05/567897205.db2.gz WIYONDNAMRWMDE-LLVKDONJSA-N 0 0 291.420 3.555 50 0 CHAARN CS[C@@H](C)C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000096416846 567897350 /nfs/dbraw/zinc/89/73/50/567897350.db2.gz TYDKCHHWMKZBBZ-LBPRGKRZSA-N 0 0 293.432 3.836 50 0 CHAARN CCc1ccc(CC)c(C(=O)CSc2nncs2)c1 ZINC000060385588 567897406 /nfs/dbraw/zinc/89/74/06/567897406.db2.gz NEBURDCKTIWPSZ-UHFFFAOYSA-N 0 0 292.429 3.638 50 0 CHAARN Cc1cc(I)c(C)cc1Cl ZINC000063148729 567897621 /nfs/dbraw/zinc/89/76/21/567897621.db2.gz RIXURTWFADPUCB-UHFFFAOYSA-N 0 0 266.509 3.561 50 0 CHAARN Cc1noc(-c2ccc(NC(=O)C3CCCCC3)cc2)n1 ZINC000062578832 567897727 /nfs/dbraw/zinc/89/77/27/567897727.db2.gz VICJQVLFHJQUFD-UHFFFAOYSA-N 0 0 285.347 3.564 50 0 CHAARN CC(C)C(=O)N1CCC[C@H](CCc2cccc(F)c2)C1 ZINC000065405741 567899244 /nfs/dbraw/zinc/89/92/44/567899244.db2.gz ZKEIEBKYHNNYRT-OAHLLOKOSA-N 0 0 277.383 3.653 50 0 CHAARN OCc1ccc(CN(Cc2cccc(Cl)c2)C2CC2)o1 ZINC000065417604 567899416 /nfs/dbraw/zinc/89/94/16/567899416.db2.gz DLXKAUCZKSKNDS-UHFFFAOYSA-N 0 0 291.778 3.590 50 0 CHAARN Clc1ccc(-c2[nH]cnc2-c2ccccc2)cn1 ZINC000065470410 567899511 /nfs/dbraw/zinc/89/95/11/567899511.db2.gz JGANSWVCYCEJDG-UHFFFAOYSA-N 0 0 255.708 3.792 50 0 CHAARN Cc1cc(C)n(Cc2nc(-c3sccc3C)oc2C)n1 ZINC000067673083 567899929 /nfs/dbraw/zinc/89/99/29/567899929.db2.gz GDTIGRJZFBAZLI-UHFFFAOYSA-N 0 0 287.388 3.882 50 0 CHAARN O=C(NC[C@H](c1ccccc1)C1CCCC1)c1cccnc1 ZINC000067714615 567900084 /nfs/dbraw/zinc/90/00/84/567900084.db2.gz MFFAGAHZYLSETD-GOSISDBHSA-N 0 0 294.398 3.785 50 0 CHAARN Cc1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1F ZINC000067630449 567900134 /nfs/dbraw/zinc/90/01/34/567900134.db2.gz ZQSWVBATBMTQBL-UHFFFAOYSA-N 0 0 293.363 3.552 50 0 CHAARN COc1ccc(OC)c([C@@H](C)n2ccnc2C(C)C)c1 ZINC000067605198 567900150 /nfs/dbraw/zinc/90/01/50/567900150.db2.gz MAGGDLFBDIUFMZ-GFCCVEGCSA-N 0 0 274.364 3.633 50 0 CHAARN COc1cccc(Cl)c1-c1cccc(-n2cnnc2)c1 ZINC000067885633 567900484 /nfs/dbraw/zinc/90/04/84/567900484.db2.gz RMQJGKXPVTVLNL-UHFFFAOYSA-N 0 0 285.734 3.596 50 0 CHAARN COCCCn1ccnc1-c1cccc2ccccc21 ZINC000067847127 567900537 /nfs/dbraw/zinc/90/05/37/567900537.db2.gz WPSUWZCBPNHWHW-UHFFFAOYSA-N 0 0 266.344 3.740 50 0 CHAARN Fc1ccc(CC(F)(F)F)c(Br)c1 ZINC000067794633 567900555 /nfs/dbraw/zinc/90/05/55/567900555.db2.gz WRUCFQFVEHTUND-UHFFFAOYSA-N 0 0 257.024 3.693 50 0 CHAARN CCC(=O)c1cccc(-c2ccc(NC(C)=O)cc2)c1 ZINC000067742065 567900692 /nfs/dbraw/zinc/90/06/92/567900692.db2.gz BSAQDYBFRTXJPR-UHFFFAOYSA-N 0 0 267.328 3.905 50 0 CHAARN CCc1nccn1Cc1nc(-c2ccccc2C)oc1C ZINC000067879487 567900799 /nfs/dbraw/zinc/90/07/99/567900799.db2.gz QTSJECNBUMBLBL-UHFFFAOYSA-N 0 0 281.359 3.766 50 0 CHAARN O=C(Nc1cccnc1-c1cnc2ccccc2c1)C1CC1 ZINC000067785704 567900837 /nfs/dbraw/zinc/90/08/37/567900837.db2.gz IEEGZWORTKAPCA-UHFFFAOYSA-N 0 0 289.338 3.645 50 0 CHAARN COc1ccc(Cn2ccnc2-c2coc(C(C)C)n2)cc1 ZINC000067955535 567900910 /nfs/dbraw/zinc/90/09/10/567900910.db2.gz QVSLNCBESMUTOC-UHFFFAOYSA-N 0 0 297.358 3.718 50 0 CHAARN CC[C@H](Nc1cc(C)nc2ccnn21)c1cccs1 ZINC000072453423 567902510 /nfs/dbraw/zinc/90/25/10/567902510.db2.gz ZPZSPCOLPVZWHR-NSHDSACASA-N 0 0 272.377 3.662 50 0 CHAARN Cc1ccc(-c2nc(-c3ccc(N(C)C)cc3)no2)cc1 ZINC000033255527 567902694 /nfs/dbraw/zinc/90/26/94/567902694.db2.gz GZYRRFMRECMOPE-UHFFFAOYSA-N 0 0 279.343 3.778 50 0 CHAARN CC(=O)Nc1cccc(N[C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000097037054 567902893 /nfs/dbraw/zinc/90/28/93/567902893.db2.gz YGMQUSAGFAHFSK-LBPRGKRZSA-N 0 0 286.379 3.596 50 0 CHAARN Cc1nnc([C@H](C)N2CCc3ccc(C(C)(C)C)cc3C2)o1 ZINC000097080468 567904168 /nfs/dbraw/zinc/90/41/68/567904168.db2.gz CQAUVZALFAOGSG-LBPRGKRZSA-N 0 0 299.418 3.795 50 0 CHAARN OCc1ccncc1NCc1ccc(SC(F)F)cc1 ZINC000097081265 567904257 /nfs/dbraw/zinc/90/42/57/567904257.db2.gz DQMDACMYFVUKFA-UHFFFAOYSA-N 0 0 296.342 3.501 50 0 CHAARN Cc1cc(C)n(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)n1 ZINC000000034692 567904715 /nfs/dbraw/zinc/90/47/15/567904715.db2.gz UIFNZABODPAWGD-KOLCDFICSA-N 0 0 287.190 3.731 50 0 CHAARN CC[C@H]1C(=O)O[C@H](c2ccc(Cl)cc2)C(C)(C)C1=O ZINC000000036842 567905402 /nfs/dbraw/zinc/90/54/02/567905402.db2.gz GKAGFQRGLYYHII-DGCLKSJQSA-N 0 0 280.751 3.559 50 0 CHAARN O=C(c1ccoc1)N1CCCC[C@H]1c1cccc(F)c1 ZINC000077439531 567905589 /nfs/dbraw/zinc/90/55/89/567905589.db2.gz AFDAUYJOQRCCLA-HNNXBMFYSA-N 0 0 273.307 3.786 50 0 CHAARN Cc1ncsc1CNc1nc2cc(Cl)ccc2o1 ZINC000097231804 567905921 /nfs/dbraw/zinc/90/59/21/567905921.db2.gz YRGZSIPQUNTKJH-UHFFFAOYSA-N 0 0 279.752 3.858 50 0 CHAARN CCSc1nn(-c2ccccc2)c(=S)s1 ZINC000078391664 567905964 /nfs/dbraw/zinc/90/59/64/567905964.db2.gz VPGOPPABUCAFGD-UHFFFAOYSA-N 0 0 254.405 3.775 50 0 CHAARN CCc1nnc(CNc2c(F)cc(Cl)cc2Cl)o1 ZINC000097237704 567905998 /nfs/dbraw/zinc/90/59/98/567905998.db2.gz KYMJNCJZFRXULB-UHFFFAOYSA-N 0 0 290.125 3.690 50 0 CHAARN COc1ccc(-c2c(C)c3cc(OC)ccc3oc2=O)cc1 ZINC000000058065 567906113 /nfs/dbraw/zinc/90/61/13/567906113.db2.gz RFKYCUZYUASZBI-UHFFFAOYSA-N 0 0 296.322 3.786 50 0 biogenic CHAARN CCSc1nnc(C)c2cnn(-c3ccc(C)c(C)c3)c21 ZINC000023137773 567906245 /nfs/dbraw/zinc/90/62/45/567906245.db2.gz GWZOKYHFIDVYEG-UHFFFAOYSA-N 0 0 298.415 3.853 50 0 CHAARN O=C(NC1CCCC1)c1csc(Nc2ccccc2)n1 ZINC000023136823 567906312 /nfs/dbraw/zinc/90/63/12/567906312.db2.gz BFUNHNUYVPFGRT-UHFFFAOYSA-N 0 0 287.388 3.559 50 0 CHAARN CN(C(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC000079196123 567906330 /nfs/dbraw/zinc/90/63/30/567906330.db2.gz BJNPOFRPHNDRHC-UHFFFAOYSA-N 0 0 286.169 3.820 50 0 CHAARN C[C@@H]1CC=CC[C@@H]1COC(=O)CSC(C)(C)C ZINC000097044006 567906690 /nfs/dbraw/zinc/90/66/90/567906690.db2.gz SIIRQAUZUOXXTO-VXGBXAGGSA-N 0 0 256.411 3.664 50 0 CHAARN COc1ccccc1-c1cnc(COc2cccnc2C)o1 ZINC000097082608 567906791 /nfs/dbraw/zinc/90/67/91/567906791.db2.gz LQNORUUUILAPCK-UHFFFAOYSA-N 0 0 296.326 3.633 50 0 CHAARN CN(C(=O)CCc1cccnc1)[C@H]1CCCc2ccccc21 ZINC000082087528 567906807 /nfs/dbraw/zinc/90/68/07/567906807.db2.gz JLSLPUMIHMBBNF-SFHVURJKSA-N 0 0 294.398 3.550 50 0 CHAARN CCCc1cc(C(=O)N[C@H](CCC)c2ccccc2)n(C)n1 ZINC000082107271 567906886 /nfs/dbraw/zinc/90/68/86/567906886.db2.gz IQUMCZABEFCQNN-MRXNPFEDSA-N 0 0 299.418 3.644 50 0 CHAARN CC(C)OCCn1cc(-c2ccc3ccccc3c2)nn1 ZINC000082097340 567906903 /nfs/dbraw/zinc/90/69/03/567906903.db2.gz HRVBCHFRUAGVTD-UHFFFAOYSA-N 0 0 281.359 3.523 50 0 CHAARN CCCC[C@H]1C=CCN1C(=O)c1cc(-c2ccccc2)on1 ZINC000082138395 567906964 /nfs/dbraw/zinc/90/69/64/567906964.db2.gz CHJPRLJVYCBIGA-HNNXBMFYSA-N 0 0 296.370 3.912 50 0 CHAARN CCOC(=O)CSc1cc(C)nc2c(C)cccc12 ZINC000098087183 567907768 /nfs/dbraw/zinc/90/77/68/567907768.db2.gz YDZNHDDVHALNNF-UHFFFAOYSA-N 0 0 275.373 3.507 50 0 CHAARN CCOC(=O)CSc1cc(C)c2cc(C)ccc2n1 ZINC000098087182 567908018 /nfs/dbraw/zinc/90/80/18/567908018.db2.gz LGHQQECNRJRTRH-UHFFFAOYSA-N 0 0 275.373 3.507 50 0 CHAARN CC(=O)Nc1ccc2nc(-c3ccc(C)cc3)oc2c1 ZINC000095117834 567909059 /nfs/dbraw/zinc/90/90/59/567909059.db2.gz KEMQICRTZWFWHD-UHFFFAOYSA-N 0 0 266.300 3.762 50 0 CHAARN CCOC(=O)c1c(-c2ccc(C)cc2)noc1C(F)(F)F ZINC000095100088 567909207 /nfs/dbraw/zinc/90/92/07/567909207.db2.gz LIBUZCHQSQJJJV-UHFFFAOYSA-N 0 0 299.248 3.846 50 0 CHAARN CCCn1c(C)nc2cc(Br)c(F)cc21 ZINC000095495627 567909344 /nfs/dbraw/zinc/90/93/44/567909344.db2.gz HWRMBDGZJMYFKN-UHFFFAOYSA-N 0 0 271.133 3.656 50 0 CHAARN Cc1ccc2[nH]c([C@@H](C)Nc3nnc(C4CCC4)o3)nc2c1 ZINC000095377857 567909445 /nfs/dbraw/zinc/90/94/45/567909445.db2.gz GXHQDTSRKIZKRF-SNVBAGLBSA-N 0 0 297.362 3.695 50 0 CHAARN CCc1nnc(N(C)Cc2ccc(Cl)cc2Cl)o1 ZINC000095381317 567909560 /nfs/dbraw/zinc/90/95/60/567909560.db2.gz HKLQFPMHCJCGKK-UHFFFAOYSA-N 0 0 286.162 3.575 50 0 CHAARN COCCc1noc([C@H](C)Oc2ccc3ccccc3c2)n1 ZINC000096137904 567909827 /nfs/dbraw/zinc/90/98/27/567909827.db2.gz UVIHDEYOMIQHML-LBPRGKRZSA-N 0 0 298.342 3.552 50 0 CHAARN Cc1c(-c2nc([C@H]3CCOC3)no2)[nH]c2c1c(C)ccc2C ZINC000096160890 567909831 /nfs/dbraw/zinc/90/98/31/567909831.db2.gz SOIAQMNVXMJVBW-LBPRGKRZSA-N 0 0 297.358 3.647 50 0 CHAARN COc1cccc(OC)c1-c1ccccc1-c1nnc(C)o1 ZINC000096163792 567909833 /nfs/dbraw/zinc/90/98/33/567909833.db2.gz CYBPRXMWMSEONT-UHFFFAOYSA-N 0 0 296.326 3.729 50 0 CHAARN Cc1ccc2c(cccc2-c2nccn2C(C)C)n1 ZINC000096138103 567909844 /nfs/dbraw/zinc/90/98/44/567909844.db2.gz PXXLRVWMJCVNRF-UHFFFAOYSA-N 0 0 251.333 3.988 50 0 CHAARN O=C(Nc1ccccc1F)c1cccc2c1CCCC2 ZINC000096171300 567909952 /nfs/dbraw/zinc/90/99/52/567909952.db2.gz PKGQJQSWWPSWSV-UHFFFAOYSA-N 0 0 269.319 3.957 50 0 CHAARN CC(C)Cc1ccc([C@@H](C)c2n[nH]c(=S)[nH]2)cc1 ZINC000096193768 567910131 /nfs/dbraw/zinc/91/01/31/567910131.db2.gz CGOSBPJFRUGXNN-SNVBAGLBSA-N 0 0 261.394 3.818 50 0 CHAARN Cc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)o1 ZINC000011565816 567910264 /nfs/dbraw/zinc/91/02/64/567910264.db2.gz SBGITNJTYSVSPK-SNVBAGLBSA-N 0 0 292.718 3.670 50 0 CHAARN COC(=O)c1ccc(-c2ccc(Cl)cc2OC)c(F)c1 ZINC000097757258 567910750 /nfs/dbraw/zinc/91/07/50/567910750.db2.gz VSERHPIRLCHQRJ-UHFFFAOYSA-N 0 0 294.709 3.941 50 0 CHAARN Cc1ccc([C@@H](C)CC[N@H+](C)Cc2c(C)noc2C)o1 ZINC000097600928 567910934 /nfs/dbraw/zinc/91/09/34/567910934.db2.gz KLWKMIDRSALYDI-NSHDSACASA-N 0 0 276.380 3.818 50 0 CHAARN COC(=O)c1ccc(-c2ccc(F)c(OC)c2)c(C)c1 ZINC000097757303 567911223 /nfs/dbraw/zinc/91/12/23/567911223.db2.gz JZLPWRYSHZDISL-UHFFFAOYSA-N 0 0 274.291 3.596 50 0 CHAARN Cc1c(F)cccc1NC(=O)c1cc(F)cc(F)c1 ZINC000098072789 567911412 /nfs/dbraw/zinc/91/14/12/567911412.db2.gz YGWLUEAKLDSJGK-UHFFFAOYSA-N 0 0 265.234 3.665 50 0 CHAARN O=C(N[C@@H](c1ccccn1)C1CCCC1)C1CCCC1 ZINC000072303685 567911440 /nfs/dbraw/zinc/91/14/40/567911440.db2.gz AXOIGLMHXDQVMO-MRXNPFEDSA-N 0 0 272.392 3.619 50 0 CHAARN O=c1c2ccc(Cl)cc2[nH]c(=S)n1-c1ccccc1 ZINC000100007628 567911949 /nfs/dbraw/zinc/91/19/49/567911949.db2.gz KPCPBBQBISDRFL-UHFFFAOYSA-N 0 0 288.759 3.702 50 0 CHAARN C[S@@](=O)(=NC(=O)c1ccc(Cl)cc1)c1cccs1 ZINC000100216987 567912488 /nfs/dbraw/zinc/91/24/88/567912488.db2.gz LNRVXIQHDHYFTL-SFHVURJKSA-N 0 0 299.804 3.699 50 0 CHAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000100429422 567913215 /nfs/dbraw/zinc/91/32/15/567913215.db2.gz XZINMLPIDKXZJO-GASCZTMLSA-N 0 0 279.339 3.519 50 0 CHAARN CC1=C(C)C[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2C1 ZINC000100513054 567913445 /nfs/dbraw/zinc/91/34/45/567913445.db2.gz CRFQGQMFEJWQPP-RYUDHWBXSA-N 0 0 289.762 3.576 50 0 CHAARN CCCOc1ccc(C[C@@H]2c3ccccc3NC2=O)cc1 ZINC000101016740 567914502 /nfs/dbraw/zinc/91/45/02/567914502.db2.gz BFOHBMBFZCWHKD-MRXNPFEDSA-N 0 0 281.355 3.754 50 0 CHAARN O=C1Nc2ccccc2[C@H]1Cc1cc2ccccc2o1 ZINC000101016490 567914580 /nfs/dbraw/zinc/91/45/80/567914580.db2.gz NDFHAPRUOZRSSR-CQSZACIVSA-N 0 0 263.296 3.711 50 0 CHAARN Cc1ccc(C[C@@H]2C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101014055 567914585 /nfs/dbraw/zinc/91/45/85/567914585.db2.gz BJISDRCEDHLIPM-AWEZNQCLSA-N 0 0 271.747 3.927 50 0 CHAARN CC(C)(C)CC(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000048751073 567915218 /nfs/dbraw/zinc/91/52/18/567915218.db2.gz NGLPWLWERWFEGY-UHFFFAOYSA-N 0 0 263.366 3.513 50 0 CHAARN Cc1cc(=S)[nH]c2cc(Br)ccc12 ZINC000000106751 567922998 /nfs/dbraw/zinc/92/29/98/567922998.db2.gz WODJGCFTELZCJJ-UHFFFAOYSA-N 0 0 254.152 3.968 50 0 CHAARN CCCCNc1cc(C)nc2nc(-c3ccc(C)cc3)nn21 ZINC000014610248 567923079 /nfs/dbraw/zinc/92/30/79/567923079.db2.gz IBMNSKVGSWCJDN-UHFFFAOYSA-N 0 0 295.390 3.620 50 0 CHAARN O=C(Nc1ccc(Cl)cc1)C1SCSCS1 ZINC000000114505 567923256 /nfs/dbraw/zinc/92/32/56/567923256.db2.gz DMJBSYIEKMADSY-UHFFFAOYSA-N 0 0 291.850 3.733 50 0 CHAARN Cc1cccc2nc(NC(=O)c3ccccc3F)sc21 ZINC000000136024 567923569 /nfs/dbraw/zinc/92/35/69/567923569.db2.gz BJCGBZJZJCBPAE-UHFFFAOYSA-N 0 0 286.331 3.996 50 0 CHAARN CCc1ccccc1NC(=O)COc1cc(C)cc(C)c1 ZINC000000128703 567923626 /nfs/dbraw/zinc/92/36/26/567923626.db2.gz GZNGGPTZNWOSED-UHFFFAOYSA-N 0 0 283.371 3.883 50 0 CHAARN Cc1cc(O[C@H](C)C(=O)NC(C)(C)C)cc(C)c1Cl ZINC000000150789 567923851 /nfs/dbraw/zinc/92/38/51/567923851.db2.gz CVVXPQJVUVCGLK-LLVKDONJSA-N 0 0 283.799 3.639 50 0 CHAARN Cc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O ZINC000000176705 567924352 /nfs/dbraw/zinc/92/43/52/567924352.db2.gz MDWUCWJVNFDSAI-GDNBJRDFSA-N 0 0 297.741 3.993 50 0 CHAARN CC(=O)c1sc(NC(=O)c2ccccc2Cl)nc1C ZINC000000193500 567924927 /nfs/dbraw/zinc/92/49/27/567924927.db2.gz RQTVXCMTCQZIPK-UHFFFAOYSA-N 0 0 294.763 3.560 50 0 CHAARN Cc1cc2c(ncnc2Nc2ccccc2F)s1 ZINC000000224069 567925426 /nfs/dbraw/zinc/92/54/26/567925426.db2.gz BRYXVFFSDOLXCI-UHFFFAOYSA-N 0 0 259.309 3.882 50 0 CHAARN Cc1nc(-c2ccccc2)nc2c1[C@@H]1[C@H](C2)C1(C)C ZINC000000237575 567925518 /nfs/dbraw/zinc/92/55/18/567925518.db2.gz VVZNGIWLPQQXHU-WFASDCNBSA-N 0 0 250.345 3.748 50 0 biogenic CHAARN COc1ccc(-c2nc(-c3ccccc3C)no2)cc1OC ZINC000000296029 567926162 /nfs/dbraw/zinc/92/61/62/567926162.db2.gz PNYLRIADMRWMQM-UHFFFAOYSA-N 0 0 296.326 3.729 50 0 CHAARN CC(C)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000000266104 567926265 /nfs/dbraw/zinc/92/62/65/567926265.db2.gz OLGMRMJENRKJRP-UHFFFAOYSA-N 0 0 279.343 3.824 50 0 CHAARN COc1ccc(NC(=O)CSc2ccc(C)cc2)cc1 ZINC000000287989 567926277 /nfs/dbraw/zinc/92/62/77/567926277.db2.gz MGCBFVNPJJRODR-UHFFFAOYSA-N 0 0 287.384 3.734 50 0 CHAARN O=Cc1sc2ccccc2c1OC(=O)c1ccccc1 ZINC000000332686 567926897 /nfs/dbraw/zinc/92/68/97/567926897.db2.gz KQPPTPMRIYAXSJ-UHFFFAOYSA-N 0 0 282.320 3.933 50 0 CHAARN CCC(C)(C)NC(=O)c1sc(C(C)(C)C)nc1C ZINC000061111102 567927715 /nfs/dbraw/zinc/92/77/15/567927715.db2.gz YXCYLCDJYIOYBV-UHFFFAOYSA-N 0 0 268.426 3.667 50 0 CHAARN C[C@@H](c1ccccc1)N(C)C(=O)NCCc1ccccc1 ZINC000011760641 567928326 /nfs/dbraw/zinc/92/83/26/567928326.db2.gz DFVXXMHBYVJMBW-HNNXBMFYSA-N 0 0 282.387 3.632 50 0 CHAARN Cc1ccc(-c2nsc(NC(=O)c3ccccc3)n2)cc1 ZINC000011914377 567928784 /nfs/dbraw/zinc/92/87/84/567928784.db2.gz PAAGXXMLYSLLMS-UHFFFAOYSA-N 0 0 295.367 3.766 50 0 CHAARN CO[C@@H](C)c1ccc(-c2n[nH]c(C3CCCC3)n2)cc1 ZINC000426435412 567929112 /nfs/dbraw/zinc/92/91/12/567929112.db2.gz OBCHNMLNSOKDBX-NSHDSACASA-N 0 0 271.364 3.837 50 0 CHAARN CC(=O)c1ccc(OC(C)C)c(CN2CCCCC2)c1 ZINC000000198236 567929798 /nfs/dbraw/zinc/92/97/98/567929798.db2.gz RLSSIIDPEZMONF-UHFFFAOYSA-N 0 0 275.392 3.662 50 0 CHAARN O=C(Oc1ccc(C2SCCS2)cc1)c1ccco1 ZINC000000405236 567929815 /nfs/dbraw/zinc/92/98/15/567929815.db2.gz AFFNNIHOBKDTBE-UHFFFAOYSA-N 0 0 292.381 3.977 50 0 CHAARN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000252668978 567930076 /nfs/dbraw/zinc/93/00/76/567930076.db2.gz GCBUFWSSBKBWQB-IWIIMEHWSA-N 0 0 267.731 3.854 50 0 CHAARN O=C(NCc1cccs1)Nc1cccc(Cl)c1 ZINC000000413875 567930228 /nfs/dbraw/zinc/93/02/28/567930228.db2.gz OTHCKXXKXNLPDP-UHFFFAOYSA-N 0 0 266.753 3.723 50 0 CHAARN CC1=CC[C@@H](c2nnco2)[C@@H](c2ccc(F)cc2)C1 ZINC000000209412 567930248 /nfs/dbraw/zinc/93/02/48/567930248.db2.gz WSBISMJIGTYEBD-ZIAGYGMSSA-N 0 0 258.296 3.816 50 0 CHAARN CC[C@H](C)c1ccc(O)c(NC(=O)c2cccnc2)c1 ZINC000000206272 567930276 /nfs/dbraw/zinc/93/02/76/567930276.db2.gz LSGODVLTGNBJHP-NSHDSACASA-N 0 0 270.332 3.553 50 0 CHAARN COc1ccc(NC(=O)c2cc(C)nc3ccccc32)cc1 ZINC000000411545 567930294 /nfs/dbraw/zinc/93/02/94/567930294.db2.gz NYOWUUWHYQHYOZ-UHFFFAOYSA-N 0 0 292.338 3.804 50 0 CHAARN CCOc1ccc2nc3sc(C(C)=O)c(N)c3cc2c1 ZINC000000422079 567930509 /nfs/dbraw/zinc/93/05/09/567930509.db2.gz NHIJGBZNSPUYIG-UHFFFAOYSA-N 0 0 286.356 3.633 50 0 CHAARN CC(=O)Nc1ccc(Oc2nnc(C)c3ccccc23)cc1 ZINC000000210024 567930576 /nfs/dbraw/zinc/93/05/76/567930576.db2.gz MPAVEMHBHGYNGH-UHFFFAOYSA-N 0 0 293.326 3.689 50 0 CHAARN COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000000043178 567930901 /nfs/dbraw/zinc/93/09/01/567930901.db2.gz LVGMUNFAQTXXSS-UHFFFAOYSA-N 0 0 285.343 3.573 50 0 biogenic,in-vitro CHAARN Brc1ccc2[nH]c3c(c2c1)CSCC3 ZINC000001754849 567931571 /nfs/dbraw/zinc/93/15/71/567931571.db2.gz NIFLZIWCYOSPQJ-UHFFFAOYSA-N 0 0 268.179 3.720 50 0 CHAARN S=c1nnc(-c2ccccc2)c(Nc2ccccc2)[nH]1 ZINC000005338495 567931799 /nfs/dbraw/zinc/93/17/99/567931799.db2.gz XDADPWWEWJRKPU-UHFFFAOYSA-N 0 0 280.356 3.571 50 0 CHAARN Cc1n[nH]c(C)c1CCCCCOc1ccc(F)cc1 ZINC000002497272 567932107 /nfs/dbraw/zinc/93/21/07/567932107.db2.gz JUKXKZSWWYOPLG-UHFFFAOYSA-N 0 0 276.355 3.957 50 0 CHAARN CC(=O)C(C(C)=O)C(c1ccccc1)c1ccccc1 ZINC000005408059 567932153 /nfs/dbraw/zinc/93/21/53/567932153.db2.gz KIIKSWKBDKWIAT-UHFFFAOYSA-N 0 0 266.340 3.613 50 0 CHAARN COc1cc(C23CC4CC(CC(C4)C2)C3)ccc1N ZINC000139824803 567932188 /nfs/dbraw/zinc/93/21/88/567932188.db2.gz NEHPZVPFVRREGQ-UHFFFAOYSA-N 0 0 257.377 3.745 50 0 CHAARN CC(=O)c1c(F)cccc1NC[C@H](C)c1nccs1 ZINC000273327530 567933404 /nfs/dbraw/zinc/93/34/04/567933404.db2.gz QOKCOKMWDXROGG-VIFPVBQESA-N 0 0 278.352 3.700 50 0 CHAARN Cc1ccc(Nc2ncc3c(n2)C[C@H](C)CC3=O)c(C)c1 ZINC000017206356 567935142 /nfs/dbraw/zinc/93/51/42/567935142.db2.gz PYWBRBTZZZJXCF-NSHDSACASA-N 0 0 281.359 3.602 50 0 CHAARN CC[C@H](Oc1ccccc1)C(=O)NC1CCCCCC1 ZINC000000476744 567935196 /nfs/dbraw/zinc/93/51/96/567935196.db2.gz SWCAEKBTOUEWHI-INIZCTEOSA-N 0 0 275.392 3.683 50 0 CHAARN O=C(Nc1ccncc1)c1ccc(COc2ccccc2)o1 ZINC000017584285 567935434 /nfs/dbraw/zinc/93/54/34/567935434.db2.gz OXYMDPHUYKZASN-UHFFFAOYSA-N 0 0 294.310 3.506 50 0 CHAARN COc1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1 ZINC000000317191 567935987 /nfs/dbraw/zinc/93/59/87/567935987.db2.gz MDVMAZVVTHYFLB-UHFFFAOYSA-N 0 0 299.370 3.836 50 0 CHAARN CCC[C@H](C)NC(=O)c1cc(Cl)ccc1Cl ZINC000000442211 567936130 /nfs/dbraw/zinc/93/61/30/567936130.db2.gz YNMDRJLJMOCFIH-QMMMGPOBSA-N 0 0 260.164 3.912 50 0 CHAARN C[C@H]1CCN(C(=O)c2ccccc2O)c2ccccc21 ZINC000000406402 567936174 /nfs/dbraw/zinc/93/61/74/567936174.db2.gz YUNWSDXUWCBDSN-LBPRGKRZSA-N 0 0 267.328 3.546 50 0 CHAARN CCC[C@@H](C)NC(=O)c1cc(Cl)ccc1Cl ZINC000000442210 567936270 /nfs/dbraw/zinc/93/62/70/567936270.db2.gz YNMDRJLJMOCFIH-MRVPVSSYSA-N 0 0 260.164 3.912 50 0 CHAARN COc1ccc(-c2nc3ccc(Cl)cn3c2C)cc1 ZINC000000407697 567936297 /nfs/dbraw/zinc/93/62/97/567936297.db2.gz QGAGZYCORIIKLP-UHFFFAOYSA-N 0 0 272.735 3.972 50 0 CHAARN O=C(Nc1ccccc1N1CCCC1)c1ccc(F)cc1 ZINC000000463591 567936471 /nfs/dbraw/zinc/93/64/71/567936471.db2.gz CZOISAYCNSPMIU-UHFFFAOYSA-N 0 0 284.334 3.678 50 0 CHAARN COc1ccc(C=O)cc1Cn1cnc2cc(C)c(C)cc21 ZINC000000572562 567936625 /nfs/dbraw/zinc/93/66/25/567936625.db2.gz TUPZANBHCYESBT-UHFFFAOYSA-N 0 0 294.354 3.523 50 0 CHAARN O=C(Nc1cnc(-c2ccccc2)nc1)c1ccccc1F ZINC000017741991 567936837 /nfs/dbraw/zinc/93/68/37/567936837.db2.gz ACLMEOCRVZGLQF-UHFFFAOYSA-N 0 0 293.301 3.535 50 0 CHAARN O=C(Nc1cnc2ccccc2c1)c1ccccc1F ZINC000001514100 567937178 /nfs/dbraw/zinc/93/71/78/567937178.db2.gz NSKASKFIAQYMGT-UHFFFAOYSA-N 0 0 266.275 3.626 50 0 CHAARN CCCC[C@H](CC)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000002086253 567937575 /nfs/dbraw/zinc/93/75/75/567937575.db2.gz POTRTBFIWGRGNI-LBPRGKRZSA-N 0 0 277.364 3.628 50 0 CHAARN CC(=O)c1ccc(NC(=O)Nc2ccccc2C)cc1 ZINC000003958903 567938126 /nfs/dbraw/zinc/93/81/26/567938126.db2.gz STEMAIDVSNLGIX-UHFFFAOYSA-N 0 0 268.316 3.842 50 0 CHAARN Cc1ccc(CS(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000016577723 567938532 /nfs/dbraw/zinc/93/85/32/567938532.db2.gz CRGDGMYFDAQJSG-UHFFFAOYSA-N 0 0 289.400 3.554 50 0 CHAARN Cc1oncc1C(=O)NCc1ccccc1-c1ccsc1 ZINC000206872882 567938831 /nfs/dbraw/zinc/93/88/31/567938831.db2.gz KKYGHKWDQINYHI-UHFFFAOYSA-N 0 0 298.367 3.642 50 0 CHAARN C[C@@H](SCc1ccco1)c1ccc(S(C)(=O)=O)cc1 ZINC000189770697 567939136 /nfs/dbraw/zinc/93/91/36/567939136.db2.gz LKBSMNOPEVBRNV-LLVKDONJSA-N 0 0 296.413 3.678 50 0 CHAARN CC(C)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 ZINC000009064433 567939155 /nfs/dbraw/zinc/93/91/55/567939155.db2.gz JUCOFSVZQICEQK-CYBMUJFWSA-N 0 0 260.381 3.660 50 0 CHAARN Fc1ccc(N2CCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000169725634 567939496 /nfs/dbraw/zinc/93/94/96/567939496.db2.gz KKDRSSDMKYWUGW-UHFFFAOYSA-N 0 0 269.188 3.690 50 0 CHAARN Cc1nc2cc(Oc3ccc4[nH]c(C)nc4c3)ccc2[nH]1 ZINC000018124893 567940029 /nfs/dbraw/zinc/94/00/29/567940029.db2.gz KAWQLCTZUCAILB-UHFFFAOYSA-N 0 0 278.315 3.848 50 0 CHAARN CCOc1ccccc1NC(=O)c1cc2ccccc2[nH]1 ZINC000012806624 567940812 /nfs/dbraw/zinc/94/08/12/567940812.db2.gz BLNDLCAJYOHSOQ-UHFFFAOYSA-N 0 0 280.327 3.819 50 0 CHAARN CCOc1ccc([C@@H](O)c2nc3ccccc3n2CC)cc1 ZINC000000502469 567940855 /nfs/dbraw/zinc/94/08/55/567940855.db2.gz DXZSNADZTIYAFE-QGZVFWFLSA-N 0 0 296.370 3.537 50 0 CHAARN CSc1ncccc1C(=O)Nc1ccc(Cl)cc1 ZINC000000515957 567941832 /nfs/dbraw/zinc/94/18/32/567941832.db2.gz ULWMKXPCRRFGQG-UHFFFAOYSA-N 0 0 278.764 3.709 50 0 CHAARN Cc1noc2c1[C@@H](c1ccc(O)cc1)C1=C(CCCC1=O)N2 ZINC000102731248 567941971 /nfs/dbraw/zinc/94/19/71/567941971.db2.gz ZNPTUWNPMMNZFD-OAHLLOKOSA-N 0 0 296.326 3.903 50 0 CHAARN COc1ccc(-c2cc(O)c3c(C)oc(C)c3c(=O)c2)cc1 ZINC000000519667 567942272 /nfs/dbraw/zinc/94/22/72/567942272.db2.gz ZNBVMDQSJSQZRA-UHFFFAOYSA-N 0 0 296.322 3.791 50 0 biogenic CHAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]1C ZINC000103151064 567942577 /nfs/dbraw/zinc/94/25/77/567942577.db2.gz QEHJUPGOGGULER-SUNKGSAMSA-N 0 0 265.784 3.895 50 0 CHAARN O=c1cc(-c2nc(-c3ccncc3Cl)cs2)cc[nH]1 ZINC000341256223 567942861 /nfs/dbraw/zinc/94/28/61/567942861.db2.gz GLKOOQHXGQFTPO-UHFFFAOYSA-N 0 0 289.747 3.626 50 0 CHAARN COc1ccc([C@@H](CC(=O)N2CCCCC2)C(C)C)cc1 ZINC000000553248 567942982 /nfs/dbraw/zinc/94/29/82/567942982.db2.gz VRRIARSSIAAHMT-KRWDZBQOSA-N 0 0 289.419 3.837 50 0 CHAARN CCOC(Cn1c(CC(C)C)nc2ccccc21)OCC ZINC000000572652 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C[C@@H](Nc1ccc(CN2CCCC2=O)cc1)C1CCCC1 ZINC000095990705 185057206 /nfs/dbraw/zinc/05/72/06/185057206.db2.gz PAEJFWYREIDHFP-CQSZACIVSA-N 0 0 286.419 3.800 50 0 CHAARN CC(C)[C@H](N[C@@H](C)CC1CCC1)C(=O)OC(C)(C)C ZINC000095991639 185058118 /nfs/dbraw/zinc/05/81/18/185058118.db2.gz NUYVESPXCFBHPI-JSGCOSHPSA-N 0 0 269.429 3.521 50 0 CHAARN Cc1cccc(-n2cc3[nH]c4ccccc4cc-3c2=O)c1 ZINC000096026292 185067110 /nfs/dbraw/zinc/06/71/10/185067110.db2.gz MWJPCBDZXFSVEO-UHFFFAOYSA-N 0 0 274.323 3.704 50 0 CHAARN CO[C@@H](CNC(=O)Nc1ccccc1C)c1ccccc1C ZINC000096105177 185098940 /nfs/dbraw/zinc/09/89/40/185098940.db2.gz GNVSVOVJIGRACJ-KRWDZBQOSA-N 0 0 298.386 3.813 50 0 CHAARN CC(C)Cn1ccc2c1cccc2NC(=O)C(C)C ZINC000096114199 185101559 /nfs/dbraw/zinc/10/15/59/185101559.db2.gz ZFMKPBHGCPCIKT-UHFFFAOYSA-N 0 0 258.365 3.892 50 0 biogenic CHAARN c1cc(Cc2csc(Nc3ccccn3)n2)cs1 ZINC000096124522 185103737 /nfs/dbraw/zinc/10/37/37/185103737.db2.gz YRTZPUGQEJSFCM-UHFFFAOYSA-N 0 0 273.386 3.934 50 0 CHAARN CC(=O)c1cccc(-c2cccc(-c3nnc(C)o3)c2)c1 ZINC000096135718 185105128 /nfs/dbraw/zinc/10/51/28/185105128.db2.gz YICZINLRAPTSRA-UHFFFAOYSA-N 0 0 278.311 3.915 50 0 CHAARN O=C(c1ccc(F)cc1)c1ccnc2ccccc21 ZINC000083314129 178380105 /nfs/dbraw/zinc/38/01/05/178380105.db2.gz UDRYBENQPAMUHB-UHFFFAOYSA-N 0 0 251.260 3.605 50 0 CHAARN Cc1ccc(F)c(NC(=O)N(C)CCC[C@H]2CCCO2)c1 ZINC000096140323 185105590 /nfs/dbraw/zinc/10/55/90/185105590.db2.gz IIVXPPYSPYRAAF-ZDUSSCGKSA-N 0 0 294.370 3.557 50 0 CHAARN O=C(c1cccc(F)c1F)c1ccnc2ccccc21 ZINC000083316541 178380619 /nfs/dbraw/zinc/38/06/19/178380619.db2.gz AUOSJORHOVSIPB-UHFFFAOYSA-N 0 0 269.250 3.744 50 0 CHAARN CCSc1cccc(-c2cccc([C@@H](C)O)n2)c1 ZINC000096141945 185106358 /nfs/dbraw/zinc/10/63/58/185106358.db2.gz HMRHVIOWQJKWSG-LLVKDONJSA-N 0 0 259.374 3.914 50 0 CHAARN CCCC[C@@H]1C=CCN1C(=O)c1c[nH]nc1-c1ccccc1 ZINC000096141318 185106477 /nfs/dbraw/zinc/10/64/77/185106477.db2.gz AZUGMEJENNQXOT-OAHLLOKOSA-N 0 0 295.386 3.648 50 0 CHAARN COc1ccccc1NC(=O)/C=C\Sc1ccccc1 ZINC000096911575 185129183 /nfs/dbraw/zinc/12/91/83/185129183.db2.gz RENDQDGPOLVOGY-QXMHVHEDSA-N 0 0 285.368 3.940 50 0 CHAARN C[C@H](NC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)c1ccccn1 ZINC000097010340 185152168 /nfs/dbraw/zinc/15/21/68/185152168.db2.gz BYNYSWRJGOMANI-JKIFEVAISA-N 0 0 295.386 3.545 50 0 CHAARN C/C=C/C=C\C(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000096991511 185148952 /nfs/dbraw/zinc/14/89/52/185148952.db2.gz SIIVXUJRRFINEH-MDAAKZFYSA-N 0 0 295.386 3.868 50 0 CHAARN COc1ccc([C@H](NCc2nc(C)c(C)o2)C(C)C)cc1 ZINC000097033041 185156586 /nfs/dbraw/zinc/15/65/86/185156586.db2.gz YAMSYGGGYCWRRI-QGZVFWFLSA-N 0 0 288.391 3.787 50 0 CHAARN CCc1cccc(NC(=O)c2c(F)cccc2F)c1 ZINC000003283798 529542235 /nfs/dbraw/zinc/54/22/35/529542235.db2.gz XWVPVIIMBITAKC-UHFFFAOYSA-N 0 0 261.271 3.780 50 0 CHAARN COc1cccc(C(=O)c2ccc(Cl)c(F)c2)c1 ZINC000002574648 169811825 /nfs/dbraw/zinc/81/18/25/169811825.db2.gz RTXFJYBXIYUSGO-UHFFFAOYSA-N 0 0 264.683 3.719 50 0 CHAARN CCCc1c(C)c2cc3c4c(c2oc1=O)CCCN4CCC3 ZINC000000526072 136392173 /nfs/dbraw/zinc/39/21/73/136392173.db2.gz KWAZUHOVFSJZTC-UHFFFAOYSA-N 0 0 297.398 3.753 50 0 biogenic CHAARN BrC1(Br)C2CC3CC(C2)CC1C3 ZINC000003219802 169869061 /nfs/dbraw/zinc/86/90/61/169869061.db2.gz XKDNOVQSEAPAKG-UHFFFAOYSA-N 0 0 294.030 3.929 50 0 CHAARN CC[C@@H]1CCCC[C@H]1OC(=O)CSc1ccncc1 ZINC000097039676 185511703 /nfs/dbraw/zinc/51/17/03/185511703.db2.gz NVSUDNMRHYBVMB-TZMCWYRMSA-N 0 0 279.405 3.686 50 0 CHAARN C[C@@H](NC(=O)/C=C\c1ccco1)c1ccc(Cl)s1 ZINC000097044357 185512009 /nfs/dbraw/zinc/51/20/09/185512009.db2.gz WZDUFKVXTUINSU-WQAKUFEDSA-N 0 0 281.764 3.885 50 0 CHAARN COC(=O)Nc1ccc(NCc2ccc(C)o2)cc1F ZINC000097084026 185525102 /nfs/dbraw/zinc/52/51/02/185525102.db2.gz PHKHYFULOQYHLH-UHFFFAOYSA-N 0 0 278.283 3.518 50 0 CHAARN O=C(OCc1nccs1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000097159122 185549886 /nfs/dbraw/zinc/54/98/86/185549886.db2.gz RUNZVTZPBTWPGW-BDAKNGLRSA-N 0 0 293.310 3.555 50 0 CHAARN CC(C)[C@H](C)CC(=O)N(C)[C@H](C)c1cccc(O)c1 ZINC000084409800 178883671 /nfs/dbraw/zinc/88/36/71/178883671.db2.gz IIYWBTYKMAHLRR-CHWSQXEVSA-N 0 0 263.381 3.594 50 0 CHAARN O=C(NC1CCCC1)N(CC1CCCCC1)C1CC1 ZINC000084543947 178898741 /nfs/dbraw/zinc/89/87/41/178898741.db2.gz CVNXIKNJTREIFQ-UHFFFAOYSA-N 0 0 264.413 3.683 50 0 CHAARN C[C@@H](c1ccco1)N(C(=O)NC(C1CC1)C1CC1)C1CC1 ZINC000084661204 178910369 /nfs/dbraw/zinc/91/03/69/178910369.db2.gz RZRDILWYYPEBQR-NSHDSACASA-N 0 0 288.391 3.703 50 0 CHAARN COC(=O)c1ccc(-c2ccc(F)c(C)c2)c(F)c1 ZINC000097757256 185661939 /nfs/dbraw/zinc/66/19/39/185661939.db2.gz RTQCILKFCKWCKM-UHFFFAOYSA-N 0 0 262.255 3.727 50 0 CHAARN CCN(C(=O)[C@@H](C)c1ccccc1)c1ccccc1 ZINC000085423554 179059653 /nfs/dbraw/zinc/05/96/53/179059653.db2.gz VQLXCWUIRJTSPO-AWEZNQCLSA-N 0 0 253.345 3.843 50 0 CHAARN CCCC[C@@H](CC)CNC(=O)c1ccc(F)cc1F ZINC000085423438 179059245 /nfs/dbraw/zinc/05/92/45/179059245.db2.gz OHXFJIVXEGTLON-LLVKDONJSA-N 0 0 269.335 3.911 50 0 CHAARN O=C(Nc1ccc(F)cc1)c1cccc2c1CCCC2 ZINC000098073330 185682288 /nfs/dbraw/zinc/68/22/88/185682288.db2.gz LMHZYIJEOIDSJB-UHFFFAOYSA-N 0 0 269.319 3.957 50 0 CHAARN Cc1ccccc1NC(=O)[C@@H]1[C@@H]2C=CCCCC[C@@H]21 ZINC000100107597 185705711 /nfs/dbraw/zinc/70/57/11/185705711.db2.gz RNYCSAMRETXICK-IJEWVQPXSA-N 0 0 255.361 3.926 50 0 aggregator CHAARN COc1cc(C(=O)Nc2ccccc2-c2ccccc2)on1 ZINC000090609973 180012352 /nfs/dbraw/zinc/01/23/52/180012352.db2.gz HPVUAXKUMSBZEE-UHFFFAOYSA-N 0 0 294.310 3.603 50 0 CHAARN Cc1ccc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)nc1 ZINC000091288757 180121885 /nfs/dbraw/zinc/12/18/85/180121885.db2.gz QHZHWBYJLNKNPY-IBGZPJMESA-N 0 0 294.398 3.584 50 0 CHAARN CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2ccno2)C1 ZINC000091586338 180199572 /nfs/dbraw/zinc/19/95/72/180199572.db2.gz BONKQVHAVGESGL-INIZCTEOSA-N 0 0 276.380 3.550 50 0 CHAARN ClC1(Cl)[C@@H]2C=C[C@@H]3[C@H](C[C@H]21)C3(Cl)Cl ZINC000104951846 186035341 /nfs/dbraw/zinc/03/53/41/186035341.db2.gz SRGRKWCJBJKYCR-GBNDHIKLSA-N 0 0 257.975 3.786 50 0 CHAARN Cc1cccnc1[C@H](Nc1cc(C2CC2)ncn1)C1CC1 ZINC000091625167 180209571 /nfs/dbraw/zinc/20/95/71/180209571.db2.gz LYEKOESXYNPJPH-QGZVFWFLSA-N 0 0 280.375 3.621 50 0 CHAARN Cc1nc([C@H](C)Nc2nc(C)nc(C)c2C)c(C)s1 ZINC000091644378 180215042 /nfs/dbraw/zinc/21/50/42/180215042.db2.gz GHEUGIRYDKDTAW-VIFPVBQESA-N 0 0 276.409 3.648 50 0 CHAARN Cc1cc2cc(C(=O)N(C)[C@H](C)c3ccon3)ccc2o1 ZINC000091663156 180219925 /nfs/dbraw/zinc/21/99/25/180219925.db2.gz VWGCDNDPBIGVIG-LLVKDONJSA-N 0 0 284.315 3.562 50 0 CHAARN Clc1ccccc1[C@H]1CCN(c2nnc(C3CC3)o2)C1 ZINC000091690650 180227216 /nfs/dbraw/zinc/22/72/16/180227216.db2.gz ZEZKOWNGDGXICS-NSHDSACASA-N 0 0 289.766 3.594 50 0 CHAARN CCCc1nc(C(=O)N[C@H](C)Cc2cccs2)cs1 ZINC000091694892 180229093 /nfs/dbraw/zinc/22/90/93/180229093.db2.gz ONPGQMNZHLWNMD-SNVBAGLBSA-N 0 0 294.445 3.518 50 0 CHAARN COc1cccc(OCCc2ccc(C(F)(F)F)nc2)c1 ZINC000091769844 180249764 /nfs/dbraw/zinc/24/97/64/180249764.db2.gz KLTFXKXMIYCDIX-UHFFFAOYSA-N 0 0 297.276 3.731 50 0 CHAARN CCCc1nc(C(=O)N2CCC[C@@H]2c2ccco2)cs1 ZINC000091793269 180257641 /nfs/dbraw/zinc/25/76/41/180257641.db2.gz WMJUHCJPWFMJOD-GFCCVEGCSA-N 0 0 290.388 3.666 50 0 CHAARN Cc1cccc(Cn2nc(C3CC3)nc2-c2cccnc2)c1 ZINC000091933306 180288490 /nfs/dbraw/zinc/28/84/90/180288490.db2.gz KXMVKJJHIPNXER-UHFFFAOYSA-N 0 0 290.370 3.574 50 0 CHAARN Cc1ccc(-c2cn(CCSC(C)C)nn2)c(F)c1 ZINC000091985858 180298720 /nfs/dbraw/zinc/29/87/20/180298720.db2.gz ZCHODEYHEKSDIE-UHFFFAOYSA-N 0 0 279.384 3.534 50 0 CHAARN CC(C)c1nsc(Oc2ccc(Cl)nc2)n1 ZINC000092686077 180429771 /nfs/dbraw/zinc/42/97/71/180429771.db2.gz PDEZDONNTCPGHE-UHFFFAOYSA-N 0 0 255.730 3.502 50 0 CHAARN COc1ccc(F)c(NCc2ccn(-c3ccccc3)n2)c1 ZINC000123901958 187113949 /nfs/dbraw/zinc/11/39/49/187113949.db2.gz ANSXXZZDQWWCIO-UHFFFAOYSA-N 0 0 297.333 3.632 50 0 CHAARN Cc1cnc(CNc2cc(Br)c(F)cc2C)o1 ZINC000190868354 189576220 /nfs/dbraw/zinc/57/62/20/189576220.db2.gz PZNIWXYPZFFPJT-UHFFFAOYSA-N 0 0 299.143 3.805 50 0 CHAARN CCn1nc(C)c(CNc2ccc(C(F)(F)F)nc2)c1C ZINC000195562786 189680357 /nfs/dbraw/zinc/68/03/57/189680357.db2.gz UUYBKMCDIQLMND-UHFFFAOYSA-N 0 0 298.312 3.546 50 0 CHAARN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1cccn1C1CC1)C2 ZINC000215073762 189691093 /nfs/dbraw/zinc/69/10/93/189691093.db2.gz FNGZQFZAZCAIIJ-RDTXWAMCSA-N 0 0 286.419 3.864 50 0 CHAARN Cn1c(-c2ccccc2)csc1=NC1CCCCC1 ZINC000334157455 206120925 /nfs/dbraw/zinc/12/09/25/206120925.db2.gz BAEAXTMZMNLILA-UHFFFAOYSA-N 0 0 272.417 3.987 50 0 CHAARN CCCN(C(=O)OC(C)(C)C)c1ccc(O)c(F)c1 ZINC000261494257 190039589 /nfs/dbraw/zinc/03/95/89/190039589.db2.gz SVGSOGXSZUUDDL-UHFFFAOYSA-N 0 0 269.316 3.683 50 0 CHAARN Clc1c(Br)ccnc1OC1CCCC1 ZINC000261493795 190039910 /nfs/dbraw/zinc/03/99/10/190039910.db2.gz JKYAMCRDJYGMBH-UHFFFAOYSA-N 0 0 276.561 3.819 50 0 CHAARN C[C@]12C[C@@H](O)[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@H]2O ZINC000257345891 190037905 /nfs/dbraw/zinc/03/79/05/190037905.db2.gz MGZZPWXYQSLHGQ-LIEHMFRQSA-N 0 0 292.463 3.751 50 0 CHAARN Nc1cc(OC(F)(F)F)cc(Cl)c1Br ZINC000263622787 190070460 /nfs/dbraw/zinc/07/04/60/190070460.db2.gz AXJGITPZICYMPS-UHFFFAOYSA-N 0 0 290.466 3.583 50 0 CHAARN CCOC(=O)c1cc(Cl)c(OC(F)F)cc1Cl ZINC000263622899 190070512 /nfs/dbraw/zinc/07/05/12/190070512.db2.gz BUIIROPSKUMJDU-UHFFFAOYSA-N 0 0 285.073 3.772 50 0 CHAARN c1cn2cc(CSc3nc4ccccc4[nH]3)nc2s1 ZINC000002596144 169814734 /nfs/dbraw/zinc/81/47/34/169814734.db2.gz PVWYURYCPBJONX-UHFFFAOYSA-N 0 0 286.385 3.564 50 0 CHAARN O=C(c1cccc(Cl)c1)N1CCc2ccccc21 ZINC000000029718 169509082 /nfs/dbraw/zinc/50/90/82/169509082.db2.gz HVQININEGQQIEU-UHFFFAOYSA-N 0 0 257.720 3.543 50 0 CHAARN COC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000000039328 169513842 /nfs/dbraw/zinc/51/38/42/169513842.db2.gz RUAATJPRGQEMIS-UHFFFAOYSA-N 0 0 276.719 3.706 50 0 CHAARN CCOc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1 ZINC000000058040 169521189 /nfs/dbraw/zinc/52/11/89/169521189.db2.gz PJVVLWSZQQCBRZ-UHFFFAOYSA-N 0 0 296.322 3.867 50 0 CHAARN COC(=O)c1c(C)[nH]c(C)c1-c1ccccc1Cl ZINC000000063036 169523289 /nfs/dbraw/zinc/52/32/89/169523289.db2.gz ILQVFUKWRUSVKV-UHFFFAOYSA-N 0 0 263.724 3.739 50 0 CHAARN CC(C)c1ccc(-n2ncc3ccccc3c2=O)cc1 ZINC000000069778 169525163 /nfs/dbraw/zinc/52/51/63/169525163.db2.gz YHJPHDBPSDBFLO-UHFFFAOYSA-N 0 0 264.328 3.509 50 0 CHAARN CC(C)CSc1nc2sc3c(c2c(N)n1)CCC3 ZINC000000085509 169531230 /nfs/dbraw/zinc/53/12/30/169531230.db2.gz YLGSCQYPUYNGHR-UHFFFAOYSA-N 0 0 279.434 3.510 50 0 CHAARN COc1ccc2ccccc2c1[C@H](O)c1cccs1 ZINC000000096496 169534491 /nfs/dbraw/zinc/53/44/91/169534491.db2.gz SOSNXSLGSJAVRV-MRXNPFEDSA-N 0 0 270.353 3.992 50 0 CHAARN Cc1ccc(C(=O)Nc2c3nsnc3ccc2C)cc1 ZINC000000097551 169534986 /nfs/dbraw/zinc/53/49/86/169534986.db2.gz LHZFJCSQQXJXGS-UHFFFAOYSA-N 0 0 283.356 3.560 50 0 CHAARN CCOC(=O)c1ncoc1-c1ccc(C(F)(F)F)cc1 ZINC000000107212 169538287 /nfs/dbraw/zinc/53/82/87/169538287.db2.gz DXJUVUUTBPYMLF-UHFFFAOYSA-N 0 0 285.221 3.537 50 0 CHAARN Cc1sc2ncn(CCCc3ccccc3)c(=O)c2c1C ZINC000000132395 169548215 /nfs/dbraw/zinc/54/82/15/169548215.db2.gz JLYOJBDQWCLLDD-UHFFFAOYSA-N 0 0 298.411 3.708 50 0 CHAARN O=C(Nc1ccccc1)c1ccc(-n2cccc2)cc1 ZINC000000144005 169552905 /nfs/dbraw/zinc/55/29/05/169552905.db2.gz UTYFDWNKSKNDGH-UHFFFAOYSA-N 0 0 262.312 3.730 50 0 CHAARN O=C(/C=C/c1c(Cl)cccc1Cl)NCc1ccco1 ZINC000000147093 169553966 /nfs/dbraw/zinc/55/39/66/169553966.db2.gz WKOKWLNRXFJJJX-VOTSOKGWSA-N 0 0 296.153 3.916 50 0 CHAARN COc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccccc1 ZINC000000149644 169554716 /nfs/dbraw/zinc/55/47/16/169554716.db2.gz OIUWICLRTNHMKV-FNDVETGQSA-N 0 0 281.355 3.586 50 0 CHAARN Cc1cc(Br)cc(C)c1OC(=O)c1ccco1 ZINC000000149040 169554782 /nfs/dbraw/zinc/55/47/82/169554782.db2.gz WGMGSOZXYVGETD-UHFFFAOYSA-N 0 0 295.132 3.878 50 0 CHAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/C=C/c1ccco1 ZINC000000206368 169574163 /nfs/dbraw/zinc/57/41/63/169574163.db2.gz BFUPUTNYJMGQRD-GSPDUGTFSA-N 0 0 299.713 3.834 50 0 CHAARN C[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)Cc1ccccc1 ZINC000000270448 169593509 /nfs/dbraw/zinc/59/35/09/169593509.db2.gz ZTPZWUDSURJLNZ-HOTGVXAUSA-N 0 0 296.414 3.548 50 0 CHAARN FC(F)(F)[C@H]1CN(C2CCCCC2)C(=S)S1 ZINC000000284671 169597105 /nfs/dbraw/zinc/59/71/05/169597105.db2.gz RUNASMDOHSKRFO-MRVPVSSYSA-N 0 0 269.357 3.584 50 0 CHAARN CC[C@H](C)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000284838 169597373 /nfs/dbraw/zinc/59/73/73/169597373.db2.gz FXKVQPZYZCTTGF-ZDUSSCGKSA-N 0 0 253.345 3.882 50 0 CHAARN O=C(Nc1cccc(F)c1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000292213 169599092 /nfs/dbraw/zinc/59/90/92/169599092.db2.gz NQRCLKGRUZQTRB-HUUCEWRRSA-N 0 0 255.292 3.568 50 0 CHAARN Cc1ccc([C@H](C)NC(=O)Cc2ccccc2)c(C)c1 ZINC000000295691 169600244 /nfs/dbraw/zinc/60/02/44/169600244.db2.gz HWANKRMGNFVUSU-HNNXBMFYSA-N 0 0 267.372 3.723 50 0 CHAARN Cc1cccc(C)c1NC(=O)c1ccc(Br)o1 ZINC000000311397 169605078 /nfs/dbraw/zinc/60/50/78/169605078.db2.gz DYTOJYWTXOFGOS-UHFFFAOYSA-N 0 0 294.148 3.911 50 0 CHAARN COc1ccc(C(=O)NC2CCCCCCC2)cc1 ZINC000000326666 169608458 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COc1ccc([C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 ZINC000038566429 174147003 /nfs/dbraw/zinc/14/70/03/174147003.db2.gz OIHWQVZFNXAMJZ-MRXNPFEDSA-N 0 0 287.403 3.591 50 0 CHAARN CCOP(=O)(CCCc1ccccc1)OCC ZINC000038999935 174161376 /nfs/dbraw/zinc/16/13/76/174161376.db2.gz BUENQOWHFFPBLL-UHFFFAOYSA-N 0 0 256.282 3.885 50 0 CHAARN CCOc1ccc(Br)cc1C(F)(F)F ZINC000039566099 174170387 /nfs/dbraw/zinc/17/03/87/174170387.db2.gz BGDWEDIMCBCUDB-UHFFFAOYSA-N 0 0 269.060 3.867 50 0 CHAARN Cc1ccc(SCCNC(=O)C[C@@H]2C=CCC2)cc1C ZINC000039978510 174181193 /nfs/dbraw/zinc/18/11/93/174181193.db2.gz XNVYKZPSYKFDEM-OAHLLOKOSA-N 0 0 289.444 3.868 50 0 CHAARN CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C)o1 ZINC000039996892 174182067 /nfs/dbraw/zinc/18/20/67/174182067.db2.gz BIJMXGSWLGRVBA-LBPRGKRZSA-N 0 0 275.373 3.799 50 0 CHAARN CC[C@H]1c2ccsc2CCN1C(=O)NCc1ccco1 ZINC000040012725 174182260 /nfs/dbraw/zinc/18/22/60/174182260.db2.gz FPPGLYONTHYVHT-ZDUSSCGKSA-N 0 0 290.388 3.560 50 0 CHAARN O=C(Nc1ccccc1)NC1(c2ccccc2)CCC1 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Cc1cc2cc(NC(=O)[C@@]3(C)CC3(Cl)Cl)ccc2[nH]1 ZINC000040081306 174187572 /nfs/dbraw/zinc/18/75/72/174187572.db2.gz OPNAQCKVONOTJO-CYBMUJFWSA-N 0 0 297.185 3.999 50 0 CHAARN O=C(Nc1ncc(-c2ccccc2)s1)C1CCC1 ZINC000040087538 174187815 /nfs/dbraw/zinc/18/78/15/174187815.db2.gz BYLXHYPGUGMVBF-UHFFFAOYSA-N 0 0 258.346 3.549 50 0 CHAARN CC[C@@H](C)NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000040097905 174190493 /nfs/dbraw/zinc/19/04/93/174190493.db2.gz HMRWRAAXUPJFKH-MRVPVSSYSA-N 0 0 260.259 3.625 50 0 CHAARN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C)c(F)c2)o1 ZINC000040098012 174190772 /nfs/dbraw/zinc/19/07/72/174190772.db2.gz GKXCXLRYIDCDHR-LLVKDONJSA-N 0 0 276.311 3.918 50 0 CHAARN C[C@@H](Cc1cccc(Cl)c1)NC(=O)Cc1cccs1 ZINC000040107196 174191511 /nfs/dbraw/zinc/19/15/11/174191511.db2.gz WDNCKDBDQFBFRK-NSHDSACASA-N 0 0 293.819 3.691 50 0 CHAARN C[C@H](Cc1cccc(Cl)c1)NC(=O)Cc1cccs1 ZINC000040107197 174191661 /nfs/dbraw/zinc/19/16/61/174191661.db2.gz WDNCKDBDQFBFRK-LLVKDONJSA-N 0 0 293.819 3.691 50 0 CHAARN Cc1ccc(CNC(=O)CCCc2ccccc2)s1 ZINC000040122209 174193075 /nfs/dbraw/zinc/19/30/75/174193075.db2.gz JBUBJBLXDZOTFG-UHFFFAOYSA-N 0 0 273.401 3.696 50 0 CHAARN C[C@H]1CCCCN1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000040121710 174193377 /nfs/dbraw/zinc/19/33/77/174193377.db2.gz BPPLMRBWUIGYLG-VIFPVBQESA-N 0 0 270.735 3.885 50 0 CHAARN O=C(NC1CCCCC1)c1[nH]c2ccccc2c1Cl ZINC000040142888 174194143 /nfs/dbraw/zinc/19/41/43/174194143.db2.gz PFDSYCCLXISHCG-UHFFFAOYSA-N 0 0 276.767 3.884 50 0 CHAARN C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccccn1 ZINC000040159799 174195755 /nfs/dbraw/zinc/19/57/55/174195755.db2.gz DTXAJMVTGJVCEP-NSHDSACASA-N 0 0 286.400 3.513 50 0 CHAARN C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000040160052 174195777 /nfs/dbraw/zinc/19/57/77/174195777.db2.gz AGBTYCCEIOGREX-HOTUBEGUSA-N 0 0 271.282 3.539 50 0 CHAARN Cc1nc(C(=O)Nc2cccnc2)c(-c2ccccc2)s1 ZINC000040326356 174236097 /nfs/dbraw/zinc/23/60/97/174236097.db2.gz BXAOQLAHSZDVLE-UHFFFAOYSA-N 0 0 295.367 3.766 50 0 CHAARN C[C@@H](NCc1cscn1)c1cccc(Cl)c1 ZINC000040420817 174257541 /nfs/dbraw/zinc/25/75/41/174257541.db2.gz FPWSPMVHRSWRMD-SECBINFHSA-N 0 0 252.770 3.647 50 0 CHAARN Brc1cnc2[nH]c(-c3ccccc3)cc2c1 ZINC000040448508 174265333 /nfs/dbraw/zinc/26/53/33/174265333.db2.gz QLKZJMXSXCDCCF-UHFFFAOYSA-N 0 0 273.133 3.992 50 0 CHAARN Nc1cnc(Oc2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000040450010 174265725 /nfs/dbraw/zinc/26/57/25/174265725.db2.gz CBVBIEIAAGMIKY-UHFFFAOYSA-N 0 0 289.644 3.523 50 0 CHAARN CC(C)c1nn(C)c2nc3ccccc3c(Cl)c12 ZINC000040450088 174265814 /nfs/dbraw/zinc/26/58/14/174265814.db2.gz BDHHAAHCISGPLC-UHFFFAOYSA-N 0 0 259.740 3.898 50 0 CHAARN CC(C)c1noc(CN(C)[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000040489669 174290786 /nfs/dbraw/zinc/29/07/86/174290786.db2.gz QWUHBHPCIAQDBI-JTQLQIEISA-N 0 0 295.333 3.664 50 0 CHAARN Cc1ccc(NC(=O)N(Cc2ccccn2)C2CC2)c(C)c1 ZINC000040525376 174313288 /nfs/dbraw/zinc/31/32/88/174313288.db2.gz WNCQOOQUWSZEEM-UHFFFAOYSA-N 0 0 295.386 3.895 50 0 CHAARN CCc1cccc(C)c1NC(=O)N1CCCC[C@H]1C ZINC000040525500 174313645 /nfs/dbraw/zinc/31/36/45/174313645.db2.gz WVUZGBSBJPHMTR-CYBMUJFWSA-N 0 0 260.381 3.964 50 0 CHAARN CSc1ccc(NC(=O)N2CCC[C@H](C)C2)cc1 ZINC000040526837 174314463 /nfs/dbraw/zinc/31/44/63/174314463.db2.gz ADGJOADBBBKDKH-NSHDSACASA-N 0 0 264.394 3.672 50 0 CHAARN O=C(Nc1cccnc1)N1CCC[C@@H]1c1ccsc1 ZINC000040554864 174330648 /nfs/dbraw/zinc/33/06/48/174330648.db2.gz XUMOLSUVGBXLHP-CYBMUJFWSA-N 0 0 273.361 3.512 50 0 CHAARN COc1ccc2ncc(Br)c(Cl)c2c1 ZINC000041702279 174607996 /nfs/dbraw/zinc/60/79/96/174607996.db2.gz JPJOZOXSMAFCSD-UHFFFAOYSA-N 0 0 272.529 3.659 50 0 CHAARN O=C(CSCc1cccnc1)NC1CCCCCCC1 ZINC000041751127 174621515 /nfs/dbraw/zinc/62/15/15/174621515.db2.gz OMNNCLMCFFPLLU-UHFFFAOYSA-N 0 0 292.448 3.544 50 0 CHAARN Cc1cc(NC2CCCCC2)ncc1Br ZINC000042783999 174879172 /nfs/dbraw/zinc/87/91/72/174879172.db2.gz ZUTHEYKVUSYTHV-UHFFFAOYSA-N 0 0 269.186 3.897 50 0 CHAARN Cc1cc(Br)cnc1NC1CCCC1 ZINC000042783962 174879476 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3.700 50 0 CHAARN CC(C)Cc1nc(C(=O)Nc2cccnc2Cl)cs1 ZINC000063643364 175687979 /nfs/dbraw/zinc/68/79/79/175687979.db2.gz GORFTLAVMIBDPP-UHFFFAOYSA-N 0 0 295.795 3.642 50 0 CHAARN Fc1ccc(SCc2noc(C3CC3)n2)cc1F ZINC000064653116 175696813 /nfs/dbraw/zinc/69/68/13/175696813.db2.gz FRTNWCCBJMCYNW-UHFFFAOYSA-N 0 0 268.288 3.518 50 0 CHAARN Cc1ccc(-c2cc(C(=O)NCc3ccco3)ccn2)s1 ZINC000065063107 175700564 /nfs/dbraw/zinc/70/05/64/175700564.db2.gz FETAFMRUELCKQM-UHFFFAOYSA-N 0 0 298.367 3.642 50 0 CHAARN Cc1ccc(C(=O)Nc2cc(-c3ccccn3)no2)cc1C ZINC000065152881 175701195 /nfs/dbraw/zinc/70/11/95/175701195.db2.gz KXZFYGUZPIDVGV-UHFFFAOYSA-N 0 0 293.326 3.606 50 0 CHAARN COc1ccc(C(=O)N2CCc3ccccc3[C@H]2C)cc1F ZINC000065293095 175708873 /nfs/dbraw/zinc/70/88/73/175708873.db2.gz IGQMLNOMCDSQON-GFCCVEGCSA-N 0 0 299.345 3.594 50 0 CHAARN O=C(NC1(c2ccc(F)cc2)CC1)OCc1ccccc1 ZINC000065337163 175709414 /nfs/dbraw/zinc/70/94/14/175709414.db2.gz IGJYPXXIOMBUNS-UHFFFAOYSA-N 0 0 285.318 3.741 50 0 CHAARN O=C(c1ccc(Cl)c(Br)c1)C1CC1 ZINC000065337438 175709627 /nfs/dbraw/zinc/70/96/27/175709627.db2.gz KYWLRCNRAPNWNL-UHFFFAOYSA-N 0 0 259.530 3.695 50 0 CHAARN COc1cccc(-c2ccc3ncccc3c2)c1OC ZINC000065507403 175745486 /nfs/dbraw/zinc/74/54/86/175745486.db2.gz REZIAPQWQBEOKL-UHFFFAOYSA-N 0 0 265.312 3.919 50 0 CHAARN C[C@@H]1CCCC[C@H]1NC(=O)C1CCC(n2cccc2)CC1 ZINC000065551928 175750349 /nfs/dbraw/zinc/75/03/49/175750349.db2.gz FULGOSZGUVVWIU-RDHHWEPZSA-N 0 0 288.435 3.914 50 0 CHAARN CCCN(Cc1ccccc1F)C(=O)[C@H]1CC=CCC1 ZINC000067790381 175791325 /nfs/dbraw/zinc/79/13/25/175791325.db2.gz GVHNCRRBHVBDMF-AWEZNQCLSA-N 0 0 275.367 3.921 50 0 CHAARN OCc1csc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000067843499 175797015 /nfs/dbraw/zinc/79/70/15/175797015.db2.gz DSOVWUJJDNDYQD-UHFFFAOYSA-N 0 0 260.145 3.609 50 0 CHAARN CC(=O)c1cccc(-c2c(C)nn(-c3ccccc3)c2N)c1 ZINC000067894249 175799789 /nfs/dbraw/zinc/79/97/89/175799789.db2.gz VKJSUZNDKJWNNS-UHFFFAOYSA-N 0 0 291.354 3.633 50 0 CHAARN CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2ccccc2n1CC ZINC000069451753 175830430 /nfs/dbraw/zinc/83/04/30/175830430.db2.gz MCOPFALSNXBZAU-BBRMVZONSA-N 0 0 299.418 3.766 50 0 CHAARN CCC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000069456461 175832236 /nfs/dbraw/zinc/83/22/36/175832236.db2.gz SNUMXPABVABWOK-LBPRGKRZSA-N 0 0 271.282 3.779 50 0 CHAARN COCc1ccccc1C(=O)Nc1cc(F)c(F)cc1F ZINC000069970646 175865136 /nfs/dbraw/zinc/86/51/36/175865136.db2.gz UAFNDUMLBHOMHE-UHFFFAOYSA-N 0 0 295.260 3.503 50 0 CHAARN O=C1C[C@@H](c2ccc(O)cc2)c2cnn(C3CCCC3)c2N1 ZINC000071282273 176108575 /nfs/dbraw/zinc/10/85/75/176108575.db2.gz CFLLZXINLNHMKQ-AWEZNQCLSA-N 0 0 297.358 3.827 50 0 CHAARN O=C1C[C@@H](c2cccnc2)c2cnn(C3CCCC3)c2N1 ZINC000071283053 176109150 /nfs/dbraw/zinc/10/91/50/176109150.db2.gz IGIRCEVWTOOPLT-ZDUSSCGKSA-N 0 0 282.347 3.517 50 0 CHAARN CCc1nc(NC(=O)c2cccc3c2ccn3C)sc1C ZINC000071285722 176109537 /nfs/dbraw/zinc/10/95/37/176109537.db2.gz FLBOTFXHOBDWGW-UHFFFAOYSA-N 0 0 299.399 3.758 50 0 CHAARN Fc1ccc(-c2cnn3c2nccc3-c2ccccn2)cc1 ZINC000071375679 176140593 /nfs/dbraw/zinc/14/05/93/176140593.db2.gz XERBNUCXRBMBMH-UHFFFAOYSA-N 0 0 290.301 3.597 50 0 CHAARN CCc1ccc(CC(=O)Nc2ccccc2F)cc1 ZINC000071384887 176147041 /nfs/dbraw/zinc/14/70/41/176147041.db2.gz RCYGJPSJHNKVSN-UHFFFAOYSA-N 0 0 257.308 3.569 50 0 CHAARN FC(F)(F)CCc1ccnc(-c2cccc3c2OCC3)n1 ZINC000071756933 176260539 /nfs/dbraw/zinc/26/05/39/176260539.db2.gz SHLDLZORXHFXOI-UHFFFAOYSA-N 0 0 294.276 3.573 50 0 CHAARN c1cn(CC[C@@H]2C[C@@H]3C=C[C@H]2C3)c(-c2ccoc2)n1 ZINC000071759188 176260833 /nfs/dbraw/zinc/26/08/33/176260833.db2.gz CIGVXTCOTQYRBC-HZSPNIEDSA-N 0 0 254.333 3.745 50 0 CHAARN CC(C)c1ccc(N[C@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC000071822823 176271175 /nfs/dbraw/zinc/27/11/75/176271175.db2.gz CYKRJJUIBDOICP-INIZCTEOSA-N 0 0 286.350 3.588 50 0 CHAARN COc1ccc(C(=O)N([C@H](C)c2ccco2)C2CC2)cc1 ZINC000071823499 176271439 /nfs/dbraw/zinc/27/14/39/176271439.db2.gz UWYRIIZXBNFASE-GFCCVEGCSA-N 0 0 285.343 3.654 50 0 CHAARN COCCN(C)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000071853984 176278002 /nfs/dbraw/zinc/27/80/02/176278002.db2.gz DDHSNHUIRHTIRJ-UHFFFAOYSA-N 0 0 290.388 3.525 50 0 CHAARN CCc1ccc([C@H]2CCCCCN2Cc2nnc(C)o2)o1 ZINC000071916187 176299302 /nfs/dbraw/zinc/29/93/02/176299302.db2.gz HWMBOEZTYHQPGT-CQSZACIVSA-N 0 0 289.379 3.651 50 0 CHAARN Fc1ccc(-c2ccn(Cc3cccc(F)c3)n2)cc1 ZINC000072079558 176313096 /nfs/dbraw/zinc/31/30/96/176313096.db2.gz NZKBXMJIDHQJPG-UHFFFAOYSA-N 0 0 270.282 3.877 50 0 CHAARN C[C@H]1CCCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000072115811 176318852 /nfs/dbraw/zinc/31/88/52/176318852.db2.gz HTMQEIDXUDNNAE-HNNXBMFYSA-N 0 0 271.404 3.757 50 0 CHAARN Cc1ccc([C@H]2CC(=O)Nc3c2cnn3C(C)C)cc1C ZINC000072119412 176319463 /nfs/dbraw/zinc/31/94/63/176319463.db2.gz HBBZJJTXAWFTMB-CQSZACIVSA-N 0 0 283.375 3.555 50 0 CHAARN Cc1nc(CN2CCC(Cc3ccc(F)cc3)CC2)co1 ZINC000072128414 176320963 /nfs/dbraw/zinc/32/09/63/176320963.db2.gz OESYRVGQYQSVNY-UHFFFAOYSA-N 0 0 288.366 3.577 50 0 CHAARN Cc1ccc(CN2CCC[C@@H]2c2nc3ccccc3n2C)o1 ZINC000072163986 176330593 /nfs/dbraw/zinc/33/05/93/176330593.db2.gz PJRKUXKOVQETMG-QGZVFWFLSA-N 0 0 295.386 3.812 50 0 CHAARN C[C@@H](c1nccn1-c1ccccc1CCO)c1ccccc1 ZINC000072165980 176330984 /nfs/dbraw/zinc/33/09/84/176330984.db2.gz AHNBCNNFMAYALJ-OAHLLOKOSA-N 0 0 292.382 3.559 50 0 CHAARN O=C(NCc1ccccc1)c1cc(-c2ccco2)cs1 ZINC000072259974 176351676 /nfs/dbraw/zinc/35/16/76/176351676.db2.gz AEBSRDZUELJORD-UHFFFAOYSA-N 0 0 283.352 3.938 50 0 CHAARN C[C@@H]1CCN(C(=O)Nc2ccccc2-n2cccn2)[C@H](C)C1 ZINC000072313568 176368061 /nfs/dbraw/zinc/36/80/61/176368061.db2.gz LXCRJYGACYEXSY-ZIAGYGMSSA-N 0 0 298.390 3.525 50 0 CHAARN O=C(NCc1ccc(F)c(Cl)c1)c1ccc(F)cc1F ZINC000072331687 176370236 /nfs/dbraw/zinc/37/02/36/176370236.db2.gz KJRNUHQWHUDBOZ-UHFFFAOYSA-N 0 0 299.679 3.687 50 0 CHAARN Cn1cc(CCCC(=O)Nc2ccccn2)c2ccccc21 ZINC000072402787 176396835 /nfs/dbraw/zinc/39/68/35/176396835.db2.gz XTXSIFNENNAMRV-UHFFFAOYSA-N 0 0 293.370 3.535 50 0 CHAARN CCn1nc(CNc2ccc3cc[nH]c3n2)c2ccccc21 ZINC000072409891 176398203 /nfs/dbraw/zinc/39/82/03/176398203.db2.gz KBQHWIPAXBCNFU-UHFFFAOYSA-N 0 0 291.358 3.545 50 0 CHAARN Brc1ccc(-c2nc3ncccc3o2)cc1 ZINC000073638977 176480387 /nfs/dbraw/zinc/48/03/87/176480387.db2.gz XCVKDMYJJLCCJF-UHFFFAOYSA-N 0 0 275.105 3.652 50 0 CHAARN O=C(/C=C/c1ccco1)N1CCC(c2ccsc2)CC1 ZINC000075157099 176668392 /nfs/dbraw/zinc/66/83/92/176668392.db2.gz WZOWYBQUWCWVBB-ONEGZZNKSA-N 0 0 287.384 3.761 50 0 CHAARN Cc1ccccc1CNC(=O)CCc1ccc2[nH]ccc2c1 ZINC000075550710 176730535 /nfs/dbraw/zinc/73/05/35/176730535.db2.gz FBRFGFNIPDIRFC-UHFFFAOYSA-N 0 0 292.382 3.725 50 0 CHAARN Cc1cc(C(=O)NC(C)(C)c2nc(C)c(C)s2)c(C)o1 ZINC000076478597 177025892 /nfs/dbraw/zinc/02/58/92/177025892.db2.gz ORHSWLOKMJLWFL-UHFFFAOYSA-N 0 0 292.404 3.635 50 0 CHAARN Oc1ccc(Br)cc1OCc1ccccc1 ZINC000077272927 177247966 /nfs/dbraw/zinc/24/79/66/177247966.db2.gz FCRCHBBRZJZSHO-UHFFFAOYSA-N 0 0 279.133 3.734 50 0 in-vitro CHAARN CCc1noc(-c2oc3c(ccc(C)c3C)c2C)n1 ZINC000077490099 177274563 /nfs/dbraw/zinc/27/45/63/177274563.db2.gz JWFWPLCVNSKNGA-UHFFFAOYSA-N 0 0 256.305 3.970 50 0 CHAARN c1cn(-c2cccc(-c3ccccn3)c2)c(C2CC2)n1 ZINC000077505425 177275993 /nfs/dbraw/zinc/27/59/93/177275993.db2.gz CTWFULRHFUBMAE-UHFFFAOYSA-N 0 0 261.328 3.812 50 0 CHAARN Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccncc1F ZINC000078086347 177321600 /nfs/dbraw/zinc/32/16/00/177321600.db2.gz NCCLXCIPYLSRSA-LLVKDONJSA-N 0 0 298.317 3.766 50 0 CHAARN Cc1nccn1CCCC(=O)N(c1ccccc1C)C(C)C ZINC000078111882 177322740 /nfs/dbraw/zinc/32/27/40/177322740.db2.gz DZWGPKXOTSBZLN-UHFFFAOYSA-N 0 0 299.418 3.722 50 0 CHAARN CCOCCC(=O)N(c1nc(C)cs1)c1ccccc1 ZINC000078472666 177344503 /nfs/dbraw/zinc/34/45/03/177344503.db2.gz UDTCZVFDHDHASK-UHFFFAOYSA-N 0 0 290.388 3.543 50 0 CHAARN CC(C)n1ccc(=O)nc1SCc1ccccc1Cl ZINC000078528345 177350503 /nfs/dbraw/zinc/35/05/03/177350503.db2.gz FPYJUXSCXSZVRL-UHFFFAOYSA-N 0 0 294.807 3.770 50 0 CHAARN CC(C)c1noc(OCC(=O)c2ccc(C(C)C)cc2)n1 ZINC000078561479 177354775 /nfs/dbraw/zinc/35/47/75/177354775.db2.gz FHNGYLSTRVRXRH-UHFFFAOYSA-N 0 0 288.347 3.578 50 0 CHAARN CCN(CC)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000078605540 177359448 /nfs/dbraw/zinc/35/94/48/177359448.db2.gz XNSUNMKPWZXJNZ-JTQLQIEISA-N 0 0 283.441 3.553 50 0 CHAARN c1cc(CSc2nnc(NC3CCCCC3)s2)no1 ZINC000078708659 177374124 /nfs/dbraw/zinc/37/41/24/177374124.db2.gz YNBMXMOMNQSALL-UHFFFAOYSA-N 0 0 296.421 3.563 50 0 CHAARN COC(=O)CCCN1Cc2ccccc2-c2ccccc2C1 ZINC000078760673 177383195 /nfs/dbraw/zinc/38/31/95/177383195.db2.gz IXDRPJJYXZRGEL-UHFFFAOYSA-N 0 0 295.382 3.622 50 0 CHAARN CO[C@H](C(=O)Nc1cnc2ccccc2c1)c1ccccc1 ZINC000078805969 177390781 /nfs/dbraw/zinc/39/07/81/177390781.db2.gz UEAULFHQTUEKQK-KRWDZBQOSA-N 0 0 292.338 3.561 50 0 CHAARN c1cnc2c(c1)cccc2SCCOC[C@H]1CCCO1 ZINC000078954885 177409529 /nfs/dbraw/zinc/40/95/29/177409529.db2.gz KSRALRWDAWBPDR-CQSZACIVSA-N 0 0 289.400 3.523 50 0 CHAARN CC(C)n1ncc2c1NC(=O)CS[C@H]2C(C)(C)C ZINC000079478421 177498451 /nfs/dbraw/zinc/49/84/51/177498451.db2.gz JDGPFDHENDZSED-LLVKDONJSA-N 0 0 267.398 3.886 50 0 CHAARN CCOc1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000002623121 260009804 /nfs/dbraw/zinc/00/98/04/260009804.db2.gz FRFHUDZSUIPTJX-UHFFFAOYSA-N 0 0 299.370 3.720 50 0 CHAARN CC(C)CCOc1ccc(NC(=O)c2cccnc2)cc1 ZINC000008561835 260031567 /nfs/dbraw/zinc/03/15/67/260031567.db2.gz ARWWIYAOYCYXOZ-UHFFFAOYSA-N 0 0 284.359 3.759 50 0 CHAARN C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccco1 ZINC000008756895 260033471 /nfs/dbraw/zinc/03/34/71/260033471.db2.gz KRYDOULNNJZFEB-CYBMUJFWSA-N 0 0 279.339 3.853 50 0 CHAARN O=C(CCNc1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000032754880 260145480 /nfs/dbraw/zinc/14/54/80/260145480.db2.gz SNZZANFVRDYNEE-UHFFFAOYSA-N 0 0 280.371 3.616 50 0 CHAARN Clc1nc2c(cccc2Br)n1C1CC1 ZINC000095631126 260555930 /nfs/dbraw/zinc/55/59/30/260555930.db2.gz ZOKUUTKKKGUFPL-UHFFFAOYSA-N 0 0 271.545 3.787 50 0 CHAARN CC(=O)c1ccc(Br)cc1OCC(C)C ZINC000168982750 260914120 /nfs/dbraw/zinc/91/41/20/260914120.db2.gz 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CCCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)no1 ZINC000003908952 566844985 /nfs/dbraw/zinc/84/49/85/566844985.db2.gz QKSUPEDMJUSVEK-UHFFFAOYSA-N 0 0 282.702 3.672 50 0 CHAARN CCN(Cc1cc(C)on1)Cc1ccccc1Cl ZINC000042157226 566847341 /nfs/dbraw/zinc/84/73/41/566847341.db2.gz PCSUTSFTAAUNDF-UHFFFAOYSA-N 0 0 264.756 3.659 50 0 CHAARN CC(=O)c1sc(NCc2ccc(C)cc2)nc1C ZINC000003326338 566848870 /nfs/dbraw/zinc/84/88/70/566848870.db2.gz KHEDQKZOJGPXPW-UHFFFAOYSA-N 0 0 260.362 3.575 50 0 CHAARN O=C(NCc1ccccc1)c1cc2c(s1)CCCC2 ZINC000003480380 566849113 /nfs/dbraw/zinc/84/91/13/566849113.db2.gz ZPINRLZHBPHQAW-UHFFFAOYSA-N 0 0 271.385 3.557 50 0 CHAARN CCOc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000003434539 566849749 /nfs/dbraw/zinc/84/97/49/566849749.db2.gz GGFGTTCVGNTUSN-UHFFFAOYSA-N 0 0 274.295 3.868 50 0 CHAARN CCc1ccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000012555101 566850503 /nfs/dbraw/zinc/85/05/03/566850503.db2.gz YQEUGQNWIGANDF-GOSISDBHSA-N 0 0 294.398 3.681 50 0 CHAARN CCCC[C@H](NC(=O)c1cc(C)n(C)c1C)c1cccnc1 ZINC000299772478 566853683 /nfs/dbraw/zinc/85/36/83/566853683.db2.gz ZBKBKWNDGHHBSM-KRWDZBQOSA-N 0 0 299.418 3.698 50 0 CHAARN CSC1=NC(C)(C)C=C(C=Cc2ccc(F)cc2)N1 ZINC000004039831 566856308 /nfs/dbraw/zinc/85/63/08/566856308.db2.gz IQMYHJKDNBKURJ-RMKNXTFCSA-N 0 0 276.380 3.824 50 0 CHAARN CC[C@@H](NC(=O)CCc1ccccc1C)c1cc(C)ccn1 ZINC000534584467 566856359 /nfs/dbraw/zinc/85/63/59/566856359.db2.gz AQYIJQMUVZTKRM-QGZVFWFLSA-N 0 0 296.414 3.899 50 0 CHAARN CCc1cccc(C)c1NCc1ccc(-n2ccnc2)nc1 ZINC000083827687 566864064 /nfs/dbraw/zinc/86/40/64/566864064.db2.gz GTTDKMHWMUNCKS-UHFFFAOYSA-N 0 0 292.386 3.750 50 0 CHAARN CC(=O)c1ccc(N(C)C)cc1OCc1ccccc1 ZINC000083843749 566864624 /nfs/dbraw/zinc/86/46/24/566864624.db2.gz OIYGHNDLKKDMPJ-UHFFFAOYSA-N 0 0 269.344 3.534 50 0 CHAARN Clc1ccc(-c2nc3c4ccsc4ncn3n2)cc1 ZINC000001390703 566870069 /nfs/dbraw/zinc/87/00/69/566870069.db2.gz LMTXFHJWUXNTLB-UHFFFAOYSA-N 0 0 286.747 3.659 50 0 CHAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)c1ccnc2ncnn21 ZINC000001401876 566871745 /nfs/dbraw/zinc/87/17/45/566871745.db2.gz UIVGPGSWACZQDC-LBPRGKRZSA-N 0 0 296.374 3.562 50 0 CHAARN Cc1ccc(CN2CCSc3sccc3C2=O)cc1 ZINC000001402075 566872112 /nfs/dbraw/zinc/87/21/12/566872112.db2.gz PISXJFXSRUITFV-UHFFFAOYSA-N 0 0 289.425 3.805 50 0 CHAARN COc1ccc(-c2nc(S[C@@H]3C=CCCC3)n[nH]2)cc1 ZINC000083950112 566872754 /nfs/dbraw/zinc/87/27/54/566872754.db2.gz XQRDDTPZVCWRPH-CYBMUJFWSA-N 0 0 287.388 3.681 50 0 CHAARN O=C1[C@@H](c2ccccc2)C=Nc2c(-c3ccccc3)cnn21 ZINC000004673499 566872909 /nfs/dbraw/zinc/87/29/09/566872909.db2.gz NNQGEFHNISOBMM-MRXNPFEDSA-N 0 0 287.322 3.690 50 0 CHAARN O=c1c2sccc2[nH]c(=S)n1-c1ccccc1Cl ZINC000100020570 566877040 /nfs/dbraw/zinc/87/70/40/566877040.db2.gz FSXXQDJMKSYAGH-UHFFFAOYSA-N 0 0 294.788 3.763 50 0 CHAARN CCOc1ccccc1NC(=O)c1ccc(F)c(F)c1F ZINC000016661479 566877473 /nfs/dbraw/zinc/87/74/73/566877473.db2.gz SABZTYWFKAQGQX-UHFFFAOYSA-N 0 0 295.260 3.755 50 0 CHAARN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NC2CC2)cc1 ZINC000084148724 566880270 /nfs/dbraw/zinc/88/02/70/566880270.db2.gz UTWKJICKIWLHKW-CJNGLKHVSA-N 0 0 272.392 3.640 50 0 CHAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(F)cc2)cc1 ZINC000015538745 566882208 /nfs/dbraw/zinc/88/22/08/566882208.db2.gz YNGMRCOAAIEPPO-QGZVFWFLSA-N 0 0 299.345 3.812 50 0 CHAARN c1ccc2c(c1)CCCN2Cc1cccc2nsnc21 ZINC000084581970 566884763 /nfs/dbraw/zinc/88/47/63/566884763.db2.gz KBNFAMMLBFQNJY-UHFFFAOYSA-N 0 0 281.384 3.644 50 0 CHAARN C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc2c(c1)CCO2 ZINC000084691861 566884852 /nfs/dbraw/zinc/88/48/52/566884852.db2.gz VRQMBWWRVWSHOI-DOMZBBRYSA-N 0 0 288.391 3.664 50 0 CHAARN CC(C)CCCNC(=O)N1CCc2sccc2[C@H]1C ZINC000084718210 566885137 /nfs/dbraw/zinc/88/51/37/566885137.db2.gz SGWOPTIZFIJKJE-GFCCVEGCSA-N 0 0 280.437 3.813 50 0 CHAARN C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc2c(c1)CCO2 ZINC000084691865 566885265 /nfs/dbraw/zinc/88/52/65/566885265.db2.gz VRQMBWWRVWSHOI-SWLSCSKDSA-N 0 0 288.391 3.664 50 0 CHAARN CSCCCCNC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000084705590 566885546 /nfs/dbraw/zinc/88/55/46/566885546.db2.gz DFGAJKPZXJYPPQ-HIFRSBDPSA-N 0 0 292.448 3.532 50 0 CHAARN C[C@@H](Sc1ccncc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000084718108 566885599 /nfs/dbraw/zinc/88/55/99/566885599.db2.gz GPSJSEBELIHNBL-CHWSQXEVSA-N 0 0 298.411 3.540 50 0 CHAARN COCCCCC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000084697761 566886368 /nfs/dbraw/zinc/88/63/68/566886368.db2.gz YWQQYBUILSAQBP-CXAGYDPISA-N 0 0 293.382 3.552 50 0 CHAARN C[C@@H]1CCCN1C(=O)CCc1cccc(Cl)c1Cl ZINC000084697712 566886590 /nfs/dbraw/zinc/88/65/90/566886590.db2.gz IAOLYBHUNCUBCS-SNVBAGLBSA-N 0 0 286.202 3.937 50 0 CHAARN Cc1cc(CSc2nnc(-c3ccccc3C)o2)on1 ZINC000032389697 566887062 /nfs/dbraw/zinc/88/70/62/566887062.db2.gz IOWJYAGLEXAUSC-UHFFFAOYSA-N 0 0 287.344 3.634 50 0 CHAARN CCCCNC(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000012811372 566892629 /nfs/dbraw/zinc/89/26/29/566892629.db2.gz JMHWJVAGNBCVAO-UHFFFAOYSA-N 0 0 283.371 3.719 50 0 CHAARN CCCc1ccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 ZINC000102926679 566897485 /nfs/dbraw/zinc/89/74/85/566897485.db2.gz LJLUHCWJHIETCP-DAXOMENPSA-N 0 0 285.387 3.565 50 0 CHAARN Cc1occc1C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000017959459 566900551 /nfs/dbraw/zinc/90/05/51/566900551.db2.gz QJVIQXWIEVYVKS-SECBINFHSA-N 0 0 263.724 3.732 50 0 CHAARN O=C(CCc1ccccc1Cl)Nc1ccc(Cl)cn1 ZINC000026087997 566902058 /nfs/dbraw/zinc/90/20/58/566902058.db2.gz QZXQRUIYVZDYDG-UHFFFAOYSA-N 0 0 295.169 3.960 50 0 CHAARN CCOc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000000442889 566904719 /nfs/dbraw/zinc/90/47/19/566904719.db2.gz CCYDRVQORPGDRH-LFYBBSHMSA-N 0 0 285.318 3.876 50 0 CHAARN Clc1ccc(CN2CCSCC2)cc1Cl ZINC000055543495 566906334 /nfs/dbraw/zinc/90/63/34/566906334.db2.gz FYPVUFBDBZDLEF-UHFFFAOYSA-N 0 0 262.205 3.542 50 0 CHAARN Cc1ccc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)n1C ZINC000122182805 566906563 /nfs/dbraw/zinc/90/65/63/566906563.db2.gz NLKQFLFMOYBZSV-MRXNPFEDSA-N 0 0 296.414 3.599 50 0 CHAARN C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1CO ZINC000001589788 566910990 /nfs/dbraw/zinc/91/09/90/566910990.db2.gz YJUJEOHFRXOTNW-GUUKOKDOSA-N 0 0 250.341 3.522 50 0 CHAARN CCN(CC)C(=O)P(=O)(OCC(C)C)OCC(C)C ZINC000003075438 566914214 /nfs/dbraw/zinc/91/42/14/566914214.db2.gz MPHFLWLSKHHATJ-UHFFFAOYSA-N 0 0 293.344 3.987 50 0 CHAARN O=C(c1ccccc1F)N1CCC[C@@H]1c1cccs1 ZINC000015835700 566916374 /nfs/dbraw/zinc/91/63/74/566916374.db2.gz YPGHFRBAYDLXLG-CYBMUJFWSA-N 0 0 275.348 3.865 50 0 CHAARN C[C@@H]1CCC[C@@H]2[C@H]1C2(Br)Br ZINC000071786850 566917392 /nfs/dbraw/zinc/91/73/92/566917392.db2.gz DDLGYTAQJREHKY-QYNIQEEDSA-N 0 0 267.992 3.539 50 0 CHAARN O=C(CCc1ccccc1)N1CCC[C@@H]1c1ccco1 ZINC000015836018 566919620 /nfs/dbraw/zinc/91/96/20/566919620.db2.gz ISEVADQFHFGBPG-OAHLLOKOSA-N 0 0 269.344 3.576 50 0 CHAARN CCOc1ccc(CC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000015836142 566919874 /nfs/dbraw/zinc/91/98/74/566919874.db2.gz MTODTSFRRNHJPN-INIZCTEOSA-N 0 0 299.370 3.585 50 0 CHAARN O=C(Nc1cccc(OC2CCCC2)c1)c1ccco1 ZINC000012896398 566927332 /nfs/dbraw/zinc/92/73/32/566927332.db2.gz MCGLIPDMCVIQOT-UHFFFAOYSA-N 0 0 271.316 3.853 50 0 CHAARN Cc1cc(NC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)no1 ZINC000012933178 566932633 /nfs/dbraw/zinc/93/26/33/566932633.db2.gz DXXBWGASDXYKSP-HNNXBMFYSA-N 0 0 285.347 3.564 50 0 CHAARN CCC1(CNC(=O)C[C@H](C)c2ccc(F)cc2)CC1 ZINC000075105423 566935319 /nfs/dbraw/zinc/93/53/19/566935319.db2.gz CEYOLECGUCAMIA-LBPRGKRZSA-N 0 0 263.356 3.626 50 0 CHAARN CC(C)[C@@H]1CCCN1c1ccnc(-c2ccccc2)n1 ZINC000075127638 566935468 /nfs/dbraw/zinc/93/54/68/566935468.db2.gz BIRHNBNBTIEXSU-HNNXBMFYSA-N 0 0 267.376 3.768 50 0 CHAARN CC(C)COc1ccc2c(c1)c1c(n2C)[C@@H](O)CCC1 ZINC000075250439 566937402 /nfs/dbraw/zinc/93/74/02/566937402.db2.gz KKEZVWWUXOFJDK-INIZCTEOSA-N 0 0 273.376 3.583 50 0 CHAARN COC(=O)[C@@H]1[C@H](C)c2ccccc2[C@@H]1c1ccccc1 ZINC000075260410 566937482 /nfs/dbraw/zinc/93/74/82/566937482.db2.gz SETNZZXPIQEVCT-JLZZUVOBSA-N 0 0 266.340 3.725 50 0 CHAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Oc1cccnc1 ZINC000075252806 566938285 /nfs/dbraw/zinc/93/82/85/566938285.db2.gz REQFDHDXTZYVNK-ONGXEEELSA-N 0 0 286.158 3.578 50 0 CHAARN Cc1nc2c(ccc3nc(Br)sc32)s1 ZINC000075172796 566938411 /nfs/dbraw/zinc/93/84/11/566938411.db2.gz RKYHBSVTMIVZRM-UHFFFAOYSA-N 0 0 285.191 3.977 50 0 CHAARN Cc1ccc(NC2=CC(=O)N(c3ccccc3)C2)c(C)c1 ZINC000075172745 566938775 /nfs/dbraw/zinc/93/87/75/566938775.db2.gz NUNPTNFFGFRVRN-UHFFFAOYSA-N 0 0 278.355 3.646 50 0 CHAARN COC(=O)[C@@H]1[C@@H](C)c2ccccc2[C@H]1c1ccccc1 ZINC000075260413 566939650 /nfs/dbraw/zinc/93/96/50/566939650.db2.gz SETNZZXPIQEVCT-JCURWCKSSA-N 0 0 266.340 3.725 50 0 CHAARN CC1=C(C)C[C@@](Cl)(c2ccccc2)[S@@](=O)C1 ZINC000075260553 566941130 /nfs/dbraw/zinc/94/11/30/566941130.db2.gz ZIDJRHPOFPOWHD-XJKSGUPXSA-N 0 0 254.782 3.567 50 0 CHAARN O=C(NCc1ccc(-c2ccsc2)o1)[C@H]1CC=CCC1 ZINC000575609796 566945376 /nfs/dbraw/zinc/94/53/76/566945376.db2.gz HDNPYJWSYNVLIF-LBPRGKRZSA-N 0 0 287.384 3.981 50 0 CHAARN O=C(NCc1ccc(-c2ccsc2)o1)NC1CCCC1 ZINC000575610503 566946589 /nfs/dbraw/zinc/94/65/89/566946589.db2.gz OSRMBCDFTYRWGJ-UHFFFAOYSA-N 0 0 290.388 3.750 50 0 CHAARN C[C@H](Cc1csc2ccccc12)NC(=O)c1ccoc1 ZINC000575618687 566948126 /nfs/dbraw/zinc/94/81/26/566948126.db2.gz AZZAJUYVSWJIKY-LLVKDONJSA-N 0 0 285.368 3.855 50 0 CHAARN Cc1occc1C(=O)Nc1nc2ccc(F)cc2s1 ZINC000012994110 566954777 /nfs/dbraw/zinc/95/47/77/566954777.db2.gz BTCGVWRDSHLHJU-UHFFFAOYSA-N 0 0 276.292 3.589 50 0 CHAARN CC[C@@H](C)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000012981402 566955142 /nfs/dbraw/zinc/95/51/42/566955142.db2.gz PNWQTSXWAQTERF-SNVBAGLBSA-N 0 0 292.379 3.858 50 0 CHAARN COc1cc(C(C)=O)ccc1SCCc1ccncc1 ZINC000123453796 566957344 /nfs/dbraw/zinc/95/73/44/566957344.db2.gz VAFAGXOIAJFBOZ-UHFFFAOYSA-N 0 0 287.384 3.628 50 0 CHAARN C[C@H]1CCCN(C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000013015288 566958292 /nfs/dbraw/zinc/95/82/92/566958292.db2.gz IMANNOCBYADGIL-AWEZNQCLSA-N 0 0 284.403 3.749 50 0 CHAARN Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2CCCC(=O)[O-])cc1 ZINC000151157552 566960526 /nfs/dbraw/zinc/96/05/26/566960526.db2.gz FGGNKJCLSLMTSC-RHSMWYFYSA-N 0 0 275.392 3.633 50 0 CHAARN COc1ccc(C(=O)Oc2cc(C)ccc2C)cc1 ZINC000000363498 566964538 /nfs/dbraw/zinc/96/45/38/566964538.db2.gz GVKHOOLEEJKREZ-UHFFFAOYSA-N 0 0 256.301 3.531 50 0 CHAARN Clc1ccccc1-c1nnc2c3ccccc3ncn12 ZINC000001797252 566964673 /nfs/dbraw/zinc/96/46/73/566964673.db2.gz HEPLZAOQAJEZLJ-UHFFFAOYSA-N 0 0 280.718 3.598 50 0 CHAARN COc1ccccc1C(=O)Nc1c(C)cccc1C ZINC000000311678 566964682 /nfs/dbraw/zinc/96/46/82/566964682.db2.gz XJIZBPDOEPXPLE-UHFFFAOYSA-N 0 0 255.317 3.564 50 0 CHAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2ccc(F)cc2)[C@H]1C ZINC000239386723 566966765 /nfs/dbraw/zinc/96/67/65/566966765.db2.gz QDOIWNUTXCSQRE-TYNCELHUSA-N 0 0 295.423 3.859 50 0 CHAARN CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H]2c2ccccn2)C1(C)C ZINC000248191427 566970412 /nfs/dbraw/zinc/97/04/12/566970412.db2.gz LJBYGTTVEVMYBP-HYVNUMGLSA-N 0 0 298.430 3.984 50 0 CHAARN CCn1ccc2cc(CCC(=O)NC3CCCC3)ccc21 ZINC000075550628 566971611 /nfs/dbraw/zinc/97/16/11/566971611.db2.gz ASLIMKQXTCZISC-UHFFFAOYSA-N 0 0 284.403 3.653 50 0 CHAARN O=[N+]([O-])c1ccc(N=NCCCc2ccccc2)cc1 ZINC000252460953 566973499 /nfs/dbraw/zinc/97/34/99/566973499.db2.gz JKHWUAFSSNFDAE-UHFFFAOYSA-N 0 0 269.304 3.625 50 0 CHAARN O=C(c1ccccc1)N1CCS[C@H]1c1cccs1 ZINC000035815970 566976529 /nfs/dbraw/zinc/97/65/29/566976529.db2.gz CYPGKBJANHPJDM-AWEZNQCLSA-N 0 0 275.398 3.636 50 0 CHAARN C[C@H]1CCC[C@H](OCc2nnc(Cc3cccs3)o2)C1 ZINC000521393901 566977813 /nfs/dbraw/zinc/97/78/13/566977813.db2.gz RLUWRFXWQFGRQS-RYUDHWBXSA-N 0 0 292.404 3.817 50 0 CHAARN COc1ccccc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000064579984 566981712 /nfs/dbraw/zinc/98/17/12/566981712.db2.gz PAQCHKWGAPFWIT-MRXNPFEDSA-N 0 0 299.345 3.812 50 0 CHAARN COc1ccccc1C(=O)N1CCC[C@H]1c1ccccc1C ZINC000064579893 566981980 /nfs/dbraw/zinc/98/19/80/566981980.db2.gz XFJLHCMVZPEBNP-KRWDZBQOSA-N 0 0 295.382 3.981 50 0 CHAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)c1ccccc1C ZINC000064555664 566982308 /nfs/dbraw/zinc/98/23/08/566982308.db2.gz PUMVHNIDJXNKCN-OAHLLOKOSA-N 0 0 284.359 3.577 50 0 CHAARN c1ccc(CSc2nnc(CCC3CCCC3)[nH]2)nc1 ZINC000031203151 566982322 /nfs/dbraw/zinc/98/23/22/566982322.db2.gz OZVYCKNGAUUEKB-UHFFFAOYSA-N 0 0 288.420 3.615 50 0 CHAARN Cc1nc(-c2ccccc2C)sc1C(=O)NC(C)C ZINC000064553153 566982453 /nfs/dbraw/zinc/98/24/53/566982453.db2.gz MPILIVYNFMOPNU-UHFFFAOYSA-N 0 0 274.389 3.565 50 0 CHAARN CC[C@H](C)NC(=O)c1cc(C)nc2ccc(Cl)cc21 ZINC000064553219 566982835 /nfs/dbraw/zinc/98/28/35/566982835.db2.gz COIOAOSZJQVTMF-VIFPVBQESA-N 0 0 276.767 3.725 50 0 CHAARN CCCCNC(=O)c1c2ccccc2nc2c1CCCC2 ZINC000004542410 566986420 /nfs/dbraw/zinc/98/64/20/566986420.db2.gz GLWVFSXRCHILIR-UHFFFAOYSA-N 0 0 282.387 3.644 50 0 CHAARN COc1ccc(-c2cncc(C(C)(C)O)c2)c2cccnc12 ZINC000426597374 566988748 /nfs/dbraw/zinc/98/87/48/566988748.db2.gz IDASVDDDJJJSCX-UHFFFAOYSA-N 0 0 294.354 3.533 50 0 CHAARN CCCc1nc(C)cc(-c2c(OC)cc(C)cc2OC)n1 ZINC000426478261 566989415 /nfs/dbraw/zinc/98/94/15/566989415.db2.gz ZFTSMWCUCXVOLB-UHFFFAOYSA-N 0 0 286.375 3.730 50 0 CHAARN CC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)nc2)CC1 ZINC000064668944 566991485 /nfs/dbraw/zinc/99/14/85/566991485.db2.gz DBYGRTVDZDVOJF-UHFFFAOYSA-N 0 0 298.361 3.760 50 0 CHAARN CCCCNC(=O)c1ccc(-c2ccc(C)cc2)nc1 ZINC000064668952 566992030 /nfs/dbraw/zinc/99/20/30/566992030.db2.gz UNUTWVNZAFRBBP-UHFFFAOYSA-N 0 0 268.360 3.587 50 0 CHAARN Cc1nc(-c2ccc(C(=O)NCCC(C)C)cc2)cs1 ZINC000064677370 566993263 /nfs/dbraw/zinc/99/32/63/566993263.db2.gz IRBQVJMQXAOMIW-UHFFFAOYSA-N 0 0 288.416 3.894 50 0 CHAARN CC(C)Sc1nccn2nc(-c3cccs3)cc12 ZINC000064700582 566994546 /nfs/dbraw/zinc/99/45/46/566994546.db2.gz NLAWCMHBFKVEOH-UHFFFAOYSA-N 0 0 275.402 3.958 50 0 CHAARN CC(C)CCNC(=O)c1ccc2nc(C(C)C)oc2c1 ZINC000064968279 566996622 /nfs/dbraw/zinc/99/66/22/566996622.db2.gz IHHMRRDJYNGMBY-UHFFFAOYSA-N 0 0 274.364 3.727 50 0 CHAARN CC[C@](O)(c1ccccc1)[C@](O)(CC)c1ccccc1 ZINC000001725000 566998999 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567884998 /nfs/dbraw/zinc/88/49/98/567884998.db2.gz ZNVLACNGVCRGMH-DOMZBBRYSA-N 0 0 273.767 3.581 50 0 CHAARN NC(=O)c1ccc(-c2ccccc2Oc2ccccc2)nc1 ZINC000032500716 567885913 /nfs/dbraw/zinc/88/59/13/567885913.db2.gz BZYLRYHJPDEWGM-UHFFFAOYSA-N 0 0 290.322 3.640 50 0 CHAARN Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1O ZINC000068741116 567886232 /nfs/dbraw/zinc/88/62/32/567886232.db2.gz AEXHYXSUMZFIPI-UHFFFAOYSA-N 0 0 275.735 3.535 50 0 CHAARN C[C@@H](Oc1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000033004195 567886420 /nfs/dbraw/zinc/88/64/20/567886420.db2.gz JZMXOUYDRJFYRS-SNVBAGLBSA-N 0 0 256.280 3.842 50 0 CHAARN Fc1ccccc1OCCCCSc1ncccn1 ZINC000002845411 567887268 /nfs/dbraw/zinc/88/72/68/567887268.db2.gz VCOHFUQHACDAHD-UHFFFAOYSA-N 0 0 278.352 3.567 50 0 CHAARN Cc1c(NC(=O)C(C)C)cccc1-c1nc2ncccc2o1 ZINC000000238112 567887311 /nfs/dbraw/zinc/88/73/11/567887311.db2.gz DKGFURKSNSQBAK-UHFFFAOYSA-N 0 0 295.342 3.793 50 0 CHAARN CC[C@@H](c1nc2ccccc2n1C)[C@@H](O)c1ccccc1 ZINC000000052725 567887419 /nfs/dbraw/zinc/88/74/19/567887419.db2.gz YKGFYWNAKNSVHW-PBHICJAKSA-N 0 0 280.371 3.801 50 0 CHAARN Cc1c(C)c(NC(=O)/C=C/c2ccccc2)ccc1O ZINC000000092320 567887439 /nfs/dbraw/zinc/88/74/39/567887439.db2.gz APLXOZPBILBPSM-DHZHZOJOSA-N 0 0 267.328 3.661 50 0 CHAARN CC[C@@H](c1nc2ccccc2n1C)[C@H](O)c1ccccc1 ZINC000000052723 567887524 /nfs/dbraw/zinc/88/75/24/567887524.db2.gz YKGFYWNAKNSVHW-RHSMWYFYSA-N 0 0 280.371 3.801 50 0 CHAARN O=C([C@@H]1C[C@@H]1c1ccccc1)N1CC[C@@H](c2ccccc2)C1 ZINC000003995558 567888174 /nfs/dbraw/zinc/88/81/74/567888174.db2.gz SNDWVDLSXFGROJ-GUDVDZBRSA-N 0 0 291.394 3.806 50 0 CHAARN Cc1ccc(C2=NN[C@H](c3ccccc3)S2)cc1 ZINC000002987208 567888222 /nfs/dbraw/zinc/88/82/22/567888222.db2.gz PZSSUTUJPOTHGT-AWEZNQCLSA-N 0 0 254.358 3.692 50 0 CHAARN COc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@@H](c1ccncc1)N2 ZINC000257371824 567888975 /nfs/dbraw/zinc/88/89/75/567888975.db2.gz VDXDYLVGDYUSRS-BMGDILEWSA-N 0 0 296.370 3.725 50 0 CHAARN C[C@H]1C[C@H]1C(=O)Nc1nc2cc(C(C)(C)C)ccc2o1 ZINC000072311650 567889185 /nfs/dbraw/zinc/88/91/85/567889185.db2.gz NAWDUQHIPUANJR-GXSJLCMTSA-N 0 0 272.348 3.720 50 0 CHAARN CCC(=O)Nc1cc(NC(=O)c2ccccc2C)ccc1C ZINC000036566972 567889479 /nfs/dbraw/zinc/88/94/79/567889479.db2.gz RCDPTAMTPYJELR-UHFFFAOYSA-N 0 0 296.370 3.904 50 0 CHAARN Cc1ccc2sc(NCc3ccncc3)nc2c1C ZINC000036657582 567889823 /nfs/dbraw/zinc/88/98/23/567889823.db2.gz AFQKLWLQASEFMP-UHFFFAOYSA-N 0 0 269.373 3.920 50 0 CHAARN Cc1cc([C@H]2CCCN2C(=O)Nc2cccc(C)c2)on1 ZINC000042116283 567891143 /nfs/dbraw/zinc/89/11/43/567891143.db2.gz STHNWDMGKZSYGL-CQSZACIVSA-N 0 0 285.347 3.660 50 0 CHAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2cccc(C)c2C)no1 ZINC000043136126 567892069 /nfs/dbraw/zinc/89/20/69/567892069.db2.gz GSECRYNUIQOABW-INIZCTEOSA-N 0 0 299.374 3.969 50 0 CHAARN CCOC(=O)CCCC(=O)c1cc(C)c(C)cc1C ZINC000043214439 567892349 /nfs/dbraw/zinc/89/23/49/567892349.db2.gz IBIDCOCEWYEMCC-UHFFFAOYSA-N 0 0 262.349 3.528 50 0 CHAARN CCOC(=O)CCCCCC(=O)c1cccc(F)c1 ZINC000043214322 567892374 /nfs/dbraw/zinc/89/23/74/567892374.db2.gz SDFVHHUVZLHMDI-UHFFFAOYSA-N 0 0 266.312 3.522 50 0 CHAARN Cc1cc(F)cc(C(=O)c2ccc(F)c(F)c2)c1 ZINC000043210188 567892428 /nfs/dbraw/zinc/89/24/28/567892428.db2.gz NKBFHVDRWSNBKY-UHFFFAOYSA-N 0 0 250.219 3.643 50 0 CHAARN CC(C)Oc1cccc(C(=O)N2[C@H](C)CCC[C@@H]2C)c1 ZINC000013609621 567892894 /nfs/dbraw/zinc/89/28/94/567892894.db2.gz YXJHFAHDNYSVQA-OKILXGFUSA-N 0 0 275.392 3.877 50 0 CHAARN CCOc1cc(F)ccc1NC(=O)N1CC[C@H](C)C[C@H]1C ZINC000095407514 567893128 /nfs/dbraw/zinc/89/31/28/567893128.db2.gz YYJKHSYWKMSSGB-NWDGAFQWSA-N 0 0 294.370 3.877 50 0 CHAARN Nc1ccc(OCc2cccc(F)c2)cc1Cl ZINC000050470726 567893805 /nfs/dbraw/zinc/89/38/05/567893805.db2.gz HTOOFJHPCPQRAB-UHFFFAOYSA-N 0 0 251.688 3.640 50 0 CHAARN O=C(c1cnc2ccccc2c1Cl)N1CCCCC1 ZINC000075490534 567894356 /nfs/dbraw/zinc/89/43/56/567894356.db2.gz BCNFAQJAVFVICV-UHFFFAOYSA-N 0 0 274.751 3.514 50 0 CHAARN Clc1cccc(CN2CCSCC2)c1Cl ZINC000055543811 567894539 /nfs/dbraw/zinc/89/45/39/567894539.db2.gz SKMSYHPVGVLGHN-UHFFFAOYSA-N 0 0 262.205 3.542 50 0 CHAARN c1ccc2c(c1)nc(N1CCCCCC1)n2C1CSC1 ZINC000004625863 567894879 /nfs/dbraw/zinc/89/48/79/567894879.db2.gz XAMJGZOPVQZIKA-UHFFFAOYSA-N 0 0 287.432 3.705 50 0 CHAARN CC(C)OCc1cccc(NC(=O)Nc2cccnc2)c1 ZINC000058146558 567895560 /nfs/dbraw/zinc/89/55/60/567895560.db2.gz ZDYAMMSNLAQKSN-UHFFFAOYSA-N 0 0 285.347 3.651 50 0 CHAARN Cc1ccc(N[C@@H](C)C(=O)N(C(C)C)C(C)C)c(C)c1 ZINC000058161539 567895580 /nfs/dbraw/zinc/89/55/80/567895580.db2.gz CGQQFOLAZKVVIZ-HNNXBMFYSA-N 0 0 276.424 3.749 50 0 CHAARN CC[C@@H](C)C(=O)Nc1ccccc1-c1n[nH]c(C(C)C)n1 ZINC000058364991 567896051 /nfs/dbraw/zinc/89/60/51/567896051.db2.gz UGGCNQNTSBWTLE-LLVKDONJSA-N 0 0 286.379 3.580 50 0 CHAARN CCc1cccc(NC(=O)N2CCC(n3cccc3)CC2)c1 ZINC000058605760 567896470 /nfs/dbraw/zinc/89/64/70/567896470.db2.gz FMGLZPBILZTLFW-UHFFFAOYSA-N 0 0 297.402 3.920 50 0 CHAARN CC(=O)Nc1cccc(CSCc2ccco2)c1 ZINC000096416316 567897140 /nfs/dbraw/zinc/89/71/40/567897140.db2.gz NQAGYHHDTFFVHI-UHFFFAOYSA-N 0 0 261.346 3.671 50 0 CHAARN CC[C@H](O)c1ccc(OCc2cccc(NC(C)=O)c2)cc1 ZINC000096417354 567897195 /nfs/dbraw/zinc/89/71/95/567897195.db2.gz BHASVPWOCPKRJT-SFHVURJKSA-N 0 0 299.370 3.667 50 0 CHAARN Cc1cc(=O)oc2cc3c(cc12)[C@H](C)CC(C)(C)N3C ZINC000575473314 567897222 /nfs/dbraw/zinc/89/72/22/567897222.db2.gz YGQAIRFSRWLHLF-LLVKDONJSA-N 0 0 271.360 3.823 50 0 CHAARN COc1ccc2cc([C@@H](C)Sc3nc[nH]n3)ccc2c1 ZINC000096436618 567897528 /nfs/dbraw/zinc/89/75/28/567897528.db2.gz TUZVCQFRKBELIN-SNVBAGLBSA-N 0 0 285.372 3.820 50 0 CHAARN Oc1ccc(-c2cc(O)cc(Br)c2)cc1 ZINC000065343749 567898545 /nfs/dbraw/zinc/89/85/45/567898545.db2.gz UKXYKVZENKLOBL-UHFFFAOYSA-N 0 0 265.106 3.527 50 0 CHAARN CC(C)C(=O)N1CCC[C@@H](CCc2cccc(F)c2)C1 ZINC000065405742 567899317 /nfs/dbraw/zinc/89/93/17/567899317.db2.gz ZKEIEBKYHNNYRT-HNNXBMFYSA-N 0 0 277.383 3.653 50 0 CHAARN CO[C@H](C)c1ccc(-c2ccccc2C(=O)NC2CC2)cc1 ZINC000067650310 567900037 /nfs/dbraw/zinc/90/00/37/567900037.db2.gz XNLKTSFCYBITGN-CYBMUJFWSA-N 0 0 295.382 3.953 50 0 CHAARN Cc1ccsc1-c1nccn1CCc1ccccn1 ZINC000067713921 567900241 /nfs/dbraw/zinc/90/02/41/567900241.db2.gz IMXZVFCBSPJRFH-UHFFFAOYSA-N 0 0 269.373 3.558 50 0 CHAARN OCc1ccccc1-c1cc(C(F)(F)F)cc2[nH]cnc21 ZINC000067713414 567900250 /nfs/dbraw/zinc/90/02/50/567900250.db2.gz RIKCARLNAWFTPM-UHFFFAOYSA-N 0 0 292.260 3.741 50 0 CHAARN CSc1ccc(-c2nccn2CCCn2ccnc2)cc1 ZINC000067675560 567900368 /nfs/dbraw/zinc/90/03/68/567900368.db2.gz FUVJSKRVIXTPQK-UHFFFAOYSA-N 0 0 298.415 3.559 50 0 CHAARN O=Cc1c(Cl)cc(Br)cc1Cl ZINC000067802831 567900482 /nfs/dbraw/zinc/90/04/82/567900482.db2.gz FXYQBYXIEVCPHZ-UHFFFAOYSA-N 0 0 253.910 3.568 50 0 CHAARN Cc1oc(-c2ccccc2C)nc1Cn1ccnc1C ZINC000067741758 567900671 /nfs/dbraw/zinc/90/06/71/567900671.db2.gz IUQSYBGECXHYPH-UHFFFAOYSA-N 0 0 267.332 3.512 50 0 CHAARN CCC(=O)NCc1ccccc1-c1ccc(F)cc1OC ZINC000067784412 567900803 /nfs/dbraw/zinc/90/08/03/567900803.db2.gz IGOAKMYLLGKNNU-UHFFFAOYSA-N 0 0 287.334 3.528 50 0 CHAARN CN(CCCC1CCCC1)C(=O)c1cccs1 ZINC000067868131 567900828 /nfs/dbraw/zinc/90/08/28/567900828.db2.gz XXXFPVLQCKPYPQ-UHFFFAOYSA-N 0 0 251.395 3.791 50 0 CHAARN BrC(Br)=Cc1ccccc1 ZINC000068564072 567901093 /nfs/dbraw/zinc/90/10/93/567901093.db2.gz CYLVUSZHVURAOY-UHFFFAOYSA-N 0 0 261.944 3.775 50 0 CHAARN O=C(NCc1ccccc1)c1cc2cc(Cl)ccc2[nH]1 ZINC000004691460 567901644 /nfs/dbraw/zinc/90/16/44/567901644.db2.gz YEMVVFFCUOHNBH-UHFFFAOYSA-N 0 0 284.746 3.751 50 0 CHAARN Cc1cc(OC(=O)c2ccccc2O)ccc1Cl ZINC000071772781 567901996 /nfs/dbraw/zinc/90/19/96/567901996.db2.gz CDBOTLBWQJJKQJ-UHFFFAOYSA-N 0 0 262.692 3.573 50 0 CHAARN c1cn(CCc2cccnc2)c(C2CCCCC2)n1 ZINC000071776386 567902060 /nfs/dbraw/zinc/90/20/60/567902060.db2.gz DPYNGTCZGXQCHL-UHFFFAOYSA-N 0 0 255.365 3.569 50 0 CHAARN FC1(F)C(Cl)=C(Cl)[C@@](F)(Cl)C1(F)F ZINC000071790170 567902164 /nfs/dbraw/zinc/90/21/64/567902164.db2.gz JMTPGSMYAMXWBK-VKHMYHEASA-N 0 0 261.404 3.864 50 0 CHAARN CC(C)c1ccc(N[C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000072151152 567902524 /nfs/dbraw/zinc/90/25/24/567902524.db2.gz WFGLAWDDPOSBRZ-QGZVFWFLSA-N 0 0 296.418 3.681 50 0 CHAARN Cc1nnc(-c2ccccc2-c2ccnc3c2ccn3C)o1 ZINC000072431036 567902537 /nfs/dbraw/zinc/90/25/37/567902537.db2.gz WVDYUWBPGSOEFO-UHFFFAOYSA-N 0 0 290.326 3.599 50 0 CHAARN CC(C)C(=O)c1sc(Nc2cccc(Cl)c2)nc1N ZINC000033251643 567902538 /nfs/dbraw/zinc/90/25/38/567902538.db2.gz CXSLKAIBQAOKMV-UHFFFAOYSA-N 0 0 295.795 3.961 50 0 CHAARN CN(C)c1ccc(-c2noc(Cc3cccc(F)c3)n2)cc1 ZINC000033255538 567902557 /nfs/dbraw/zinc/90/25/57/567902557.db2.gz JVFHRZVIHBEDGD-UHFFFAOYSA-N 0 0 297.333 3.533 50 0 CHAARN Oc1cccc(-c2nccn2CC2=CCCCC2)c1 ZINC000072426259 567902755 /nfs/dbraw/zinc/90/27/55/567902755.db2.gz FYLNPDMGCVSQGQ-UHFFFAOYSA-N 0 0 254.333 3.756 50 0 CHAARN CCCCN(CCCC)C(=O)COc1ccc(F)cc1 ZINC000075496686 567903946 /nfs/dbraw/zinc/90/39/46/567903946.db2.gz SUGHWGLIGVAARY-UHFFFAOYSA-N 0 0 281.371 3.633 50 0 CHAARN Cc1ncc(CN(Cc2ccco2)Cc2cccnc2)s1 ZINC000097080440 567903949 /nfs/dbraw/zinc/90/39/49/567903949.db2.gz OFLYLKNABIZKPU-UHFFFAOYSA-N 0 0 299.399 3.642 50 0 CHAARN Cc1ccc(O[C@@H](C)C(=O)N(C)c2ccccc2)c(C)c1 ZINC000075402868 567904205 /nfs/dbraw/zinc/90/42/05/567904205.db2.gz WNFJCZMSYNJIGK-HNNXBMFYSA-N 0 0 283.371 3.734 50 0 CHAARN c1ccc(Oc2cccc(N[C@H]3CCSC3)c2)nc1 ZINC000097108571 567904509 /nfs/dbraw/zinc/90/45/09/567904509.db2.gz JSEBRFOMEOGPES-ZDUSSCGKSA-N 0 0 272.373 3.791 50 0 CHAARN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccncc1F ZINC000097135924 567904697 /nfs/dbraw/zinc/90/46/97/567904697.db2.gz DPSIOAUESAZOCZ-OCCSQVGLSA-N 0 0 299.349 3.631 50 0 CHAARN CC(C)CC[S@@](=O)Cc1ncc(Cl)cc1Cl ZINC000097148225 567904922 /nfs/dbraw/zinc/90/49/22/567904922.db2.gz OSHINOMSNLRBHP-INIZCTEOSA-N 0 0 280.220 3.683 50 0 CHAARN O=C(NOCc1ccccc1)Nc1ccccc1Cl ZINC000000041310 567905610 /nfs/dbraw/zinc/90/56/10/567905610.db2.gz DCTPZVSCDLSCAG-UHFFFAOYSA-N 0 0 276.723 3.593 50 0 CHAARN CCc1ccc([C@@H](C)NCc2cc(C(C)C)no2)o1 ZINC000097228379 567906002 /nfs/dbraw/zinc/90/60/02/567906002.db2.gz YGKIHSFTLUJUBW-LLVKDONJSA-N 0 0 262.353 3.804 50 0 CHAARN Cc1cc(C)c(NC(=O)Nc2ccccc2)c(Cl)n1 ZINC000000054355 567906148 /nfs/dbraw/zinc/90/61/48/567906148.db2.gz YHOKEJRVXHLRCY-UHFFFAOYSA-N 0 0 275.739 3.996 50 0 CHAARN Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(C)c1 ZINC000000064283 567906693 /nfs/dbraw/zinc/90/66/93/567906693.db2.gz UUGQVODPQLAODD-VMPITWQZSA-N 0 0 295.338 3.684 50 0 biogenic CHAARN CN(C(=O)/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000033291426 567906977 /nfs/dbraw/zinc/90/69/77/567906977.db2.gz DYKRIEDKKRXYTD-XFXZXTDPSA-N 0 0 255.292 3.502 50 0 CHAARN Cc1ccc(S(=O)(=O)NC2CCCCCC2)c(C)c1C ZINC000000079843 567907384 /nfs/dbraw/zinc/90/73/84/567907384.db2.gz KHROBSWAGNVICX-UHFFFAOYSA-N 0 0 295.448 3.613 50 0 CHAARN Cc1ccc(Br)cc1C(=O)OC(C)(C)C ZINC000087743796 567907496 /nfs/dbraw/zinc/90/74/96/567907496.db2.gz YROBYZPUNZSEFZ-UHFFFAOYSA-N 0 0 271.154 3.713 50 0 CHAARN C[C@H]1CN=C(Nc2ccc(OC(F)(F)Cl)cc2)S1 ZINC000000089639 567908753 /nfs/dbraw/zinc/90/87/53/567908753.db2.gz YAZHGLWPZPDNGA-ZETCQYMHSA-N 0 0 292.738 3.758 50 0 CHAARN Cc1ccc(C(=O)NCc2ccc(OC(F)F)cc2)s1 ZINC000011510340 567909188 /nfs/dbraw/zinc/90/91/88/567909188.db2.gz LHXBEYZUAXINDE-UHFFFAOYSA-N 0 0 297.326 3.588 50 0 CHAARN CCC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 ZINC000000092445 567909190 /nfs/dbraw/zinc/90/91/90/567909190.db2.gz VSABSAOTGMUKEG-UHFFFAOYSA-N 0 0 279.343 3.658 50 0 CHAARN Cc1nc(COc2ccccc2Cl)n(C(C)(C)C)n1 ZINC000095391937 567909494 /nfs/dbraw/zinc/90/94/94/567909494.db2.gz XSRLUSGOIDKFLQ-UHFFFAOYSA-N 0 0 279.771 3.574 50 0 CHAARN Cc1nc2cc(Br)c(F)cc2n1C(C)C ZINC000095495607 567909497 /nfs/dbraw/zinc/90/94/97/567909497.db2.gz KBZZQXZLCGOZDD-UHFFFAOYSA-N 0 0 271.133 3.827 50 0 CHAARN Clc1cccc(CNc2cc(-c3ccco3)[nH]n2)c1 ZINC000095472030 567909554 /nfs/dbraw/zinc/90/95/54/567909554.db2.gz MIMHRXQUPZBLEY-UHFFFAOYSA-N 0 0 273.723 3.935 50 0 CHAARN Cc1ccsc1-c1ccc(OCCn2ccnc2)cc1 ZINC000096161405 567909769 /nfs/dbraw/zinc/90/97/69/567909769.db2.gz BYTFKPJKEWOVLN-UHFFFAOYSA-N 0 0 284.384 3.999 50 0 CHAARN c1ccc(-c2cccc(-c3nc([C@H]4CCOC4)no3)c2)cc1 ZINC000096166763 567909843 /nfs/dbraw/zinc/90/98/43/567909843.db2.gz DLPKGUIJPGRVDQ-INIZCTEOSA-N 0 0 292.338 3.908 50 0 CHAARN c1cc(-c2nc([C@H]3CCOC3)no2)oc1Oc1ccccc1 ZINC000096136052 567909940 /nfs/dbraw/zinc/90/99/40/567909940.db2.gz HEHZIZMSRDCCIX-NSHDSACASA-N 0 0 298.298 3.626 50 0 CHAARN O=C(c1ccc2ncsc2c1)N1CCC[C@H]1c1ccco1 ZINC000097272517 567910349 /nfs/dbraw/zinc/91/03/49/567910349.db2.gz PXMVDMFWFLAGDR-ZDUSSCGKSA-N 0 0 298.367 3.867 50 0 CHAARN C[C@@H](c1cccnc1)N(C)Cc1c[nH]c(CC2CCCC2)n1 ZINC000097698795 567910731 /nfs/dbraw/zinc/91/07/31/567910731.db2.gz UTSXKAVWQCPJGG-AWEZNQCLSA-N 0 0 298.434 3.730 50 0 CHAARN C[C@H](O)c1cccc(-c2ccccc2OC(F)(F)F)n1 ZINC000097756359 567910834 /nfs/dbraw/zinc/91/08/34/567910834.db2.gz HJTKAEIRTTUGHE-VIFPVBQESA-N 0 0 283.249 3.701 50 0 CHAARN Cc1ccc(-c2cccc(CN(C)Cc3cnccn3)c2)o1 ZINC000097744985 567910847 /nfs/dbraw/zinc/91/08/47/567910847.db2.gz HUBGIKYYDUKXMA-UHFFFAOYSA-N 0 0 293.370 3.677 50 0 CHAARN COC(=O)c1cc(-c2ccccc2Cl)ccc1F ZINC000097757032 567910930 /nfs/dbraw/zinc/91/09/30/567910930.db2.gz ZTJAAAYJSLMXQQ-UHFFFAOYSA-N 0 0 264.683 3.933 50 0 CHAARN CO[C@@H](C)c1ccc(-c2cc(-c3nc(C)no3)ccn2)cc1 ZINC000097784813 567911289 /nfs/dbraw/zinc/91/12/89/567911289.db2.gz WACNQDNCDDTTQM-NSHDSACASA-N 0 0 295.342 3.814 50 0 CHAARN Cc1sc(N)c(-c2nc(-c3ccc(C)cc3)no2)c1C ZINC000100102370 567912257 /nfs/dbraw/zinc/91/22/57/567912257.db2.gz LXYWASJJUHNTEW-UHFFFAOYSA-N 0 0 285.372 3.973 50 0 CHAARN Cc1cccc(N2C(=O)[C@@H]3CC(C)=C(C)C[C@H]3C2=O)c1C ZINC000100526889 567913459 /nfs/dbraw/zinc/91/34/59/567913459.db2.gz ZUVHCABXHXUNFQ-HUUCEWRRSA-N 0 0 283.371 3.539 50 0 CHAARN CCCc1cc(=O)n2nc(-c3ccc(Cl)cc3)cc2[nH]1 ZINC000100559406 567913535 /nfs/dbraw/zinc/91/35/35/567913535.db2.gz PDBCETPKSORTIU-UHFFFAOYSA-N 0 0 287.750 3.708 50 0 CHAARN CC[C@H]1CC[C@@H](C)N1c1ccc(Br)cn1 ZINC000095458744 567915338 /nfs/dbraw/zinc/91/53/38/567915338.db2.gz FVKRWELDIAYQFM-KOLCDFICSA-N 0 0 269.186 3.611 50 0 CHAARN Cc1ccsc1C[C@@H]1C(=O)Nc2c1cc(C)cc2C ZINC000101014563 567914508 /nfs/dbraw/zinc/91/45/08/567914508.db2.gz ULIYCHQXIPXMFL-ZDUSSCGKSA-N 0 0 271.385 3.952 50 0 CHAARN O=C(Nc1nc2c(s1)CCCC2)c1ccccc1Cl ZINC000000105718 567923048 /nfs/dbraw/zinc/92/30/48/567923048.db2.gz QYPFFULZBJETKB-UHFFFAOYSA-N 0 0 292.791 3.928 50 0 CHAARN COc1cccc(-c2ccc(F)c(F)c2)c1OC ZINC000725264213 567923355 /nfs/dbraw/zinc/92/33/55/567923355.db2.gz PIQCFJQDEUPUDZ-UHFFFAOYSA-N 0 0 250.244 3.649 50 0 CHAARN CCc1nc2ccccc2c(=O)n1-c1ccccc1Cl ZINC000000130258 567923503 /nfs/dbraw/zinc/92/35/03/567923503.db2.gz BMCZGFLRSZOBQY-UHFFFAOYSA-N 0 0 284.746 3.602 50 0 CHAARN Cc1ccc(N2C(=O)CS[C@@H]2c2cccs2)cc1 ZINC000000179814 567924279 /nfs/dbraw/zinc/92/42/79/567924279.db2.gz APKXDQPJBFUYRN-CQSZACIVSA-N 0 0 275.398 3.835 50 0 CHAARN CC(C)(C)C1CCC(OC(=O)CN2CCCCC2)CC1 ZINC000000171998 567924379 /nfs/dbraw/zinc/92/43/79/567924379.db2.gz BFSVLWJOPCYXNM-UHFFFAOYSA-N 0 0 281.440 3.620 50 0 CHAARN Cc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O ZINC000000176710 567924410 /nfs/dbraw/zinc/92/44/10/567924410.db2.gz MSOPVONFYLQEPY-GDNBJRDFSA-N 0 0 297.741 3.993 50 0 CHAARN O=C1CS[C@@H](c2ccccc2)N1C1CCCCC1 ZINC000000179890 567924505 /nfs/dbraw/zinc/92/45/05/567924505.db2.gz OULICINYPCYJOF-HNNXBMFYSA-N 0 0 261.390 3.593 50 0 CHAARN Cc1cccc(N[C@@H]2OC(=O)c3ccccc32)c1C ZINC000000202901 567925149 /nfs/dbraw/zinc/92/51/49/567925149.db2.gz NAEDYDIANMTQJU-OAHLLOKOSA-N 0 0 253.301 3.585 50 0 CHAARN CCOC(=O)c1c(C)nsc1Nc1cc(C)ccc1C ZINC000000213839 567925244 /nfs/dbraw/zinc/92/52/44/567925244.db2.gz JHQQRROHZNBVHF-UHFFFAOYSA-N 0 0 290.388 3.989 50 0 CHAARN COc1ccc2oc(-c3ccc(C)cc3)cc(=O)c2c1 ZINC000000266006 567925592 /nfs/dbraw/zinc/92/55/92/567925592.db2.gz WZKVIDUMMWJJRD-UHFFFAOYSA-N 0 0 266.296 3.777 50 0 biogenic CHAARN CCOC(=O)c1c2cc(O)ccc2oc1C(C)(C)C ZINC000000307903 567926512 /nfs/dbraw/zinc/92/65/12/567926512.db2.gz BRCITODEJQWUIL-UHFFFAOYSA-N 0 0 262.305 3.613 50 0 biogenic CHAARN Cc1noc(C)c1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000023954676 567926912 /nfs/dbraw/zinc/92/69/12/567926912.db2.gz QYUNENLDVCCVON-NSHDSACASA-N 0 0 298.386 3.661 50 0 CHAARN Cc1cc(C(=O)N2CCC[C@H]2CC2CCCCC2)no1 ZINC000061570560 567928474 /nfs/dbraw/zinc/92/84/74/567928474.db2.gz KXAKRBJUJYJASF-AWEZNQCLSA-N 0 0 276.380 3.558 50 0 CHAARN Cc1cc(C)cc(C(=O)NCC2(c3ccccc3)CC2)c1 ZINC000011750019 567928476 /nfs/dbraw/zinc/92/84/76/567928476.db2.gz SCYDEMABICOHQC-UHFFFAOYSA-N 0 0 279.383 3.765 50 0 CHAARN CCc1ccc(OCC(=O)Nc2cc(C)c(C)cc2O)cc1 ZINC000000172937 567929648 /nfs/dbraw/zinc/92/96/48/567929648.db2.gz TUBJENDJLQDXPV-UHFFFAOYSA-N 0 0 299.370 3.589 50 0 CHAARN Nc1ccc(Oc2nccc(C(F)(F)F)n2)c(Cl)c1 ZINC000070266382 567930068 /nfs/dbraw/zinc/93/00/68/567930068.db2.gz QTZPRUFVOKDCKT-UHFFFAOYSA-N 0 0 289.644 3.523 50 0 CHAARN CCc1noc(C)c1NC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000120235285 567930291 /nfs/dbraw/zinc/93/02/91/567930291.db2.gz UTKBNAYLYQRKPG-MEDUHNTESA-N 0 0 299.374 3.770 50 0 CHAARN CCc1ccccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000000429460 567930469 /nfs/dbraw/zinc/93/04/69/567930469.db2.gz PDUWCGFYFJHPGL-UHFFFAOYSA-N 0 0 284.359 3.649 50 0 CHAARN O=C1CS[C@@H](c2ccc(F)cc2)N1c1ccccc1F ZINC000000424013 567930545 /nfs/dbraw/zinc/93/05/45/567930545.db2.gz UNNMJJFXCWPSBS-HNNXBMFYSA-N 0 0 291.322 3.743 50 0 CHAARN Cc1c(C(=O)NC(C)C)sc2nc(-c3ccccc3)cn12 ZINC000000429795 567930587 /nfs/dbraw/zinc/93/05/87/567930587.db2.gz LBLGCJSMFWUNAA-UHFFFAOYSA-N 0 0 299.399 3.509 50 0 CHAARN c1ccc(CNc2nnc(-c3ccccc3)s2)cc1 ZINC000000173380 567931695 /nfs/dbraw/zinc/93/16/95/567931695.db2.gz RSVVSFGLTRDYOF-UHFFFAOYSA-N 0 0 267.357 3.817 50 0 CHAARN C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1cccnc1 ZINC000010262212 567931938 /nfs/dbraw/zinc/93/19/38/567931938.db2.gz OCCLXCXTCCQFBZ-JTQLQIEISA-N 0 0 275.739 3.618 50 0 CHAARN CSc1ncccc1C(=O)Nc1cccc(C)c1C ZINC000003482253 567932278 /nfs/dbraw/zinc/93/22/78/567932278.db2.gz FJNLUWZTVRRUIQ-UHFFFAOYSA-N 0 0 272.373 3.673 50 0 CHAARN COc1cccc(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)c1 ZINC000005529458 567932288 /nfs/dbraw/zinc/93/22/88/567932288.db2.gz DWHLOLBDLYBRSQ-LBPRGKRZSA-N 0 0 299.345 3.816 50 0 CHAARN CC(=O)OC[C@@]12COC(=C(C)C)[C@@H](C(C)=C[C@H]1C)[C@H]2C ZINC000005527930 567932575 /nfs/dbraw/zinc/93/25/75/567932575.db2.gz XPUXDIZNNJHBTE-LNCBFAARSA-N 0 0 278.392 3.708 50 0 biogenic CHAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)C1CCCC1 ZINC000005528157 567932325 /nfs/dbraw/zinc/93/23/25/567932325.db2.gz OOPCWYONVDIKJS-LLVKDONJSA-N 0 0 261.340 3.684 50 0 CHAARN CCN(CC(=O)Nc1ccccc1C)c1cccc(C)c1 ZINC000062580210 567932880 /nfs/dbraw/zinc/93/28/80/567932880.db2.gz RJKMXVFQEJCDFV-UHFFFAOYSA-N 0 0 282.387 3.768 50 0 CHAARN C[C@@]1(c2nc(-c3ccccc3C(F)(F)F)no2)CCCO1 ZINC000273826794 567933590 /nfs/dbraw/zinc/93/35/90/567933590.db2.gz YORPNUURDAEYLV-ZDUSSCGKSA-N 0 0 298.264 3.781 50 0 CHAARN Cc1cc(C)c(C(=O)NCC[C@@H]2CCO[C@@H](C)C2)c(C)c1 ZINC000273542961 567933500 /nfs/dbraw/zinc/93/35/00/567933500.db2.gz LOXTWNBATVQXCY-JKSUJKDBSA-N 0 0 289.419 3.547 50 0 CHAARN COc1ccc(CNc2ccc(C)c(C)c2)c(OC)c1 ZINC000000263789 567935777 /nfs/dbraw/zinc/93/57/77/567935777.db2.gz DAGMXDCZADSPCD-UHFFFAOYSA-N 0 0 271.360 3.933 50 0 CHAARN CCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000000373640 567935899 /nfs/dbraw/zinc/93/58/99/567935899.db2.gz YYOWGEMUFKSPSK-UHFFFAOYSA-N 0 0 286.350 3.924 50 0 CHAARN CCOc1ccc(/C=C/C(=O)Nc2ccccc2)cc1 ZINC000000301967 567935930 /nfs/dbraw/zinc/93/59/30/567935930.db2.gz GTONGWREBNEIEV-JLHYYAGUSA-N 0 0 267.328 3.737 50 0 CHAARN CCC[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000000383584 567935983 /nfs/dbraw/zinc/93/59/83/567935983.db2.gz YZFKJEOWLYSGIP-MRVPVSSYSA-N 0 0 260.164 3.912 50 0 CHAARN Cc1cc(C)c(OCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000000373644 567935986 /nfs/dbraw/zinc/93/59/86/567935986.db2.gz YYBSFHBSCSYSHG-UHFFFAOYSA-N 0 0 289.762 3.974 50 0 CHAARN CC[C@@H](O)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000000447307 567936232 /nfs/dbraw/zinc/93/62/32/567936232.db2.gz FJILBHFNDBLVBK-OAHLLOKOSA-N 0 0 272.344 3.718 50 0 CHAARN COc1ccc(C(=O)[C@H](C)Oc2ccccc2Cl)cc1 ZINC000000466841 567936571 /nfs/dbraw/zinc/93/65/71/567936571.db2.gz KPVPETIHAUGNES-NSHDSACASA-N 0 0 290.746 3.999 50 0 CHAARN CC(=O)c1cccc(NC(=O)N2CCCc3ccccc32)c1 ZINC000000612117 567936823 /nfs/dbraw/zinc/93/68/23/567936823.db2.gz BSDWGNRHMVNAMC-UHFFFAOYSA-N 0 0 294.354 3.874 50 0 CHAARN CCOc1ccccc1NC(=S)N1CCCCCC1 ZINC000000611646 567936831 /nfs/dbraw/zinc/93/68/31/567936831.db2.gz HUQLWAMWGBOBTJ-UHFFFAOYSA-N 0 0 278.421 3.658 50 0 CHAARN CC(=O)c1ccc(NC(=O)Nc2cc(F)ccc2F)cc1 ZINC000002167773 567937561 /nfs/dbraw/zinc/93/75/61/567937561.db2.gz ZGFHKKPQYMGIFK-UHFFFAOYSA-N 0 0 290.269 3.811 50 0 CHAARN Cc1ccc(N2CCN(c3ccc(C)cc3)C2)cc1 ZINC000003153189 567938804 /nfs/dbraw/zinc/93/88/04/567938804.db2.gz YLQSEEKPICXBFA-UHFFFAOYSA-N 0 0 252.361 3.588 50 0 CHAARN COc1ccc(NC(=S)Nc2ccccc2)cc1OC ZINC000003156751 567938888 /nfs/dbraw/zinc/93/88/88/567938888.db2.gz IJUZJRJZIXMOQF-UHFFFAOYSA-N 0 0 288.372 3.513 50 0 CHAARN Cc1ccc(O/C=C2/OC(=O)c3ccccc32)cc1 ZINC000000481157 567939034 /nfs/dbraw/zinc/93/90/34/567939034.db2.gz ICNQMBJSVOIODG-XNTDXEJSSA-N 0 0 252.269 3.543 50 0 CHAARN Cc1nc(NCC(=O)c2c[nH]c3ccccc32)sc1C ZINC000000484966 567939232 /nfs/dbraw/zinc/93/92/32/567939232.db2.gz VKOOOJZJFMKPAU-UHFFFAOYSA-N 0 0 285.372 3.536 50 0 CHAARN COc1ccccc1NC(=O)NC[C@H](C)c1ccccc1 ZINC000018180627 567940580 /nfs/dbraw/zinc/94/05/80/567940580.db2.gz DHXQDOOPPQISKF-ZDUSSCGKSA-N 0 0 284.359 3.620 50 0 CHAARN Cc1ccc2[nH]c3c(ncnc3N3CCC(C)CC3)c2c1 ZINC000000502407 567940873 /nfs/dbraw/zinc/94/08/73/567940873.db2.gz DBWDHYRVVGMGQK-UHFFFAOYSA-N 0 0 280.375 3.656 50 0 CHAARN CN(C(=O)CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000013006217 567940973 /nfs/dbraw/zinc/94/09/73/567940973.db2.gz ROVZEBQRFKYLDH-UHFFFAOYSA-N 0 0 278.355 3.764 50 0 CHAARN Fc1ccccc1[C@@H]1CC(c2cccs2)=Nc2ncnn21 ZINC000101353669 567940993 /nfs/dbraw/zinc/94/09/93/567940993.db2.gz MAYLZFGBNGQABJ-ZDUSSCGKSA-N 0 0 298.346 3.535 50 0 CHAARN Cc1csc(C2=C(N)N([C@H](C)c3ccccc3)CC2=O)n1 ZINC000102720845 567941879 /nfs/dbraw/zinc/94/18/79/567941879.db2.gz AXRUSIZKDYXCPN-LLVKDONJSA-N 0 0 299.399 3.775 50 0 CHAARN Cc1noc2c1[C@H](c1cccnc1)C1=C(CCCC1=O)N2 ZINC000102734229 567941904 /nfs/dbraw/zinc/94/19/04/567941904.db2.gz YHZJWKKBMWYNJF-AWEZNQCLSA-N 0 0 281.315 3.592 50 0 CHAARN Clc1ccccc1-c1nc2ccccc2c2nncn21 ZINC000000521887 567942423 /nfs/dbraw/zinc/94/24/23/567942423.db2.gz ABHRVUQVZNPFIP-UHFFFAOYSA-N 0 0 280.718 3.598 50 0 CHAARN O=c1cc(-c2ccc(F)cc2)oc2ccc(F)cc12 ZINC000000521402 567942433 /nfs/dbraw/zinc/94/24/33/567942433.db2.gz NDTWLKGEWWHCQG-UHFFFAOYSA-N 0 0 258.223 3.738 50 0 biogenic CHAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCC3)c1 ZINC000014110085 567942542 /nfs/dbraw/zinc/94/25/42/567942542.db2.gz YEMNVTZAZZLHFM-UHFFFAOYSA-N 0 0 279.339 3.630 50 0 CHAARN C[C@@H]1CCC[C@H](NC(=O)Cn2ccc3ccccc32)[C@H]1C ZINC000103142571 567942567 /nfs/dbraw/zinc/94/25/67/567942567.db2.gz IBVFHTJJEKWKLG-YCPHGPKFSA-N 0 0 284.403 3.582 50 0 CHAARN CNc1nc(-c2c(C)n(C)c3ccccc32)cs1 ZINC000000544548 567942797 /nfs/dbraw/zinc/94/27/97/567942797.db2.gz NYAXVHINIJNPPG-UHFFFAOYSA-N 0 0 257.362 3.652 50 0 CHAARN Fc1ccc(NC(=S)Nc2ccccc2)cc1F ZINC000000563079 567943236 /nfs/dbraw/zinc/94/32/36/567943236.db2.gz WXZMDPLDLACDOK-UHFFFAOYSA-N 0 0 264.300 3.774 50 0 CHAARN O=C(/C=C/c1ccccc1)Nc1cccc2cccnc21 ZINC000000556601 567943340 /nfs/dbraw/zinc/94/33/40/567943340.db2.gz CTPSLLCFINSULA-VAWYXSNFSA-N 0 0 274.323 3.887 50 0 CHAARN CCc1noc(C)c1NC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000120235434 567943814 /nfs/dbraw/zinc/94/38/14/567943814.db2.gz UTKBNAYLYQRKPG-BDJLRTHQSA-N 0 0 299.374 3.770 50 0 CHAARN Cc1ccc(NC(=O)OC(C)C)cc1NC(=O)OC(C)C ZINC000000127704 567944014 /nfs/dbraw/zinc/94/40/14/567944014.db2.gz SRHAONPLNDTLMO-UHFFFAOYSA-N 0 0 294.351 3.909 50 0 CHAARN Cc1ccc(O)c(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000016018035 567944043 /nfs/dbraw/zinc/94/40/43/567944043.db2.gz AEJAGBPAMSWZRJ-NSHDSACASA-N 0 0 289.762 3.845 50 0 CHAARN CN(C)c1cccc(NC2C3CC4CC(C3)CC2C4)c1 ZINC000016667028 567944367 /nfs/dbraw/zinc/94/43/67/567944367.db2.gz LHDDZLAPAWZFOP-UHFFFAOYSA-N 0 0 270.420 3.989 50 0 CHAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C ZINC000000580062 567944398 /nfs/dbraw/zinc/94/43/98/567944398.db2.gz CXPKFDKNORLPLI-MRXNPFEDSA-N 0 0 269.344 3.791 50 0 CHAARN Cc1ccoc1C(=O)Nc1ccc(Br)cc1 ZINC000019431616 567944884 /nfs/dbraw/zinc/94/48/84/567944884.db2.gz SBVVNOAWPCRLNZ-UHFFFAOYSA-N 0 0 280.121 3.603 50 0 CHAARN Cc1nc(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc1C ZINC000002767008 567945552 /nfs/dbraw/zinc/94/55/52/567945552.db2.gz ZPWHGFMTJWNXKT-STQMWFEESA-N 0 0 272.373 3.502 50 0 CHAARN O=C(NCc1cccs1)Nc1cccc2cnccc21 ZINC000047463733 567945753 /nfs/dbraw/zinc/94/57/53/567945753.db2.gz UDHNWYBGQZZPTO-UHFFFAOYSA-N 0 0 283.356 3.618 50 0 CHAARN Clc1ccc2c(c1)ncnc2NCCOc1ccccc1 ZINC000049586982 567946745 /nfs/dbraw/zinc/94/67/45/567946745.db2.gz SHFDDJYHWTVXHT-UHFFFAOYSA-N 0 0 299.761 3.774 50 0 CHAARN Cn1ncc2c1NC(=O)C[C@H]2c1ccc(-c2ccccc2)o1 ZINC000049546554 567946766 /nfs/dbraw/zinc/94/67/66/567946766.db2.gz DABLNAVFBRYIFE-GFCCVEGCSA-N 0 0 293.326 3.804 50 0 CHAARN Cc1cccc(C)c1NC(=O)CCC(=O)c1ccccc1 ZINC000049878165 567946803 /nfs/dbraw/zinc/94/68/03/567946803.db2.gz FAIYKGAXOKPUTH-UHFFFAOYSA-N 0 0 281.355 3.905 50 0 CHAARN COc1cccc(NC(=O)c2cc3cc(C)ccc3n2C)c1 ZINC000049728914 567946854 /nfs/dbraw/zinc/94/68/54/567946854.db2.gz RCESECXKVYMJGI-UHFFFAOYSA-N 0 0 294.354 3.748 50 0 CHAARN Cc1cccc2c1CCN2c1nc2ccccc2o1 ZINC000049491101 567946957 /nfs/dbraw/zinc/94/69/57/567946957.db2.gz FNYNXJHFQLDHSC-UHFFFAOYSA-N 0 0 250.301 3.830 50 0 CHAARN Fc1ccc(Oc2ncnc3ccsc32)cc1F ZINC000024717172 567947119 /nfs/dbraw/zinc/94/71/19/567947119.db2.gz FTJHBBUTFSZBQP-UHFFFAOYSA-N 0 0 264.256 3.762 50 0 CHAARN C[C@@H](c1ccon1)N(C)C(=O)c1cc2ccccc2s1 ZINC000215636192 567947199 /nfs/dbraw/zinc/94/71/99/567947199.db2.gz HXFRJRJTVYIKQK-JTQLQIEISA-N 0 0 286.356 3.723 50 0 CHAARN CC[C@@H](Nc1ncnc2nc[nH]c21)c1ccc(Cl)cc1 ZINC000051618917 567947472 /nfs/dbraw/zinc/94/74/72/567947472.db2.gz WEQDKSWNQQHQAL-LLVKDONJSA-N 0 0 287.754 3.570 50 0 CHAARN CN(C(=O)c1cc2ccccc2s1)C1CCSCC1 ZINC000222545464 567948971 /nfs/dbraw/zinc/94/89/71/567948971.db2.gz NVZJGIPKSGTZPR-UHFFFAOYSA-N 0 0 291.441 3.869 50 0 CHAARN Cc1cc(C(=O)C(F)(F)F)c(C)n1Cc1ccccc1 ZINC000225326353 567952962 /nfs/dbraw/zinc/95/29/62/567952962.db2.gz QNSIRAJXGSFGNF-UHFFFAOYSA-N 0 0 281.277 3.898 50 0 CHAARN Cc1cnc(NCc2ccc3nc(C)sc3c2)s1 ZINC000225418993 567953353 /nfs/dbraw/zinc/95/33/53/567953353.db2.gz VACRZKWCWJFKSY-UHFFFAOYSA-N 0 0 275.402 3.982 50 0 CHAARN CC[C@H](C)NC(=O)Nc1ccc(Br)cc1C ZINC000032862245 570224982 /nfs/dbraw/zinc/22/49/82/570224982.db2.gz QLHAYYMUAZHLHE-VIFPVBQESA-N 0 0 285.185 3.678 50 0 CHAARN C[C@@H](O)c1nc2ccccc2n1Cc1cccc(Cl)c1 ZINC000001926775 570214917 /nfs/dbraw/zinc/21/49/17/570214917.db2.gz YMSHCWRVLOEFFV-LLVKDONJSA-N 0 0 286.762 3.791 50 0 CHAARN CCN1C(=O)S/C(=C/c2cccn2-c2ccccc2)C1=O ZINC000004687975 570215949 /nfs/dbraw/zinc/21/59/49/570215949.db2.gz STHPTMBKKYQJOG-SDNWHVSQSA-N 0 0 298.367 3.534 50 0 CHAARN CC(=O)c1cccc(NC(=O)c2ccccc2OC(C)C)c1 ZINC000014663998 570218190 /nfs/dbraw/zinc/21/81/90/570218190.db2.gz NNLFWYPYQWEBSQ-UHFFFAOYSA-N 0 0 297.354 3.929 50 0 CHAARN C[S@@](=O)Cc1cc(NC2CCCC2)ccc1Cl ZINC000097371120 570218688 /nfs/dbraw/zinc/21/86/88/570218688.db2.gz UATVWZMMYOVVFA-KRWDZBQOSA-N 0 0 271.813 3.573 50 0 CHAARN Cc1[nH]c2c(cccc2C(=O)NC2CCCCC2)c1C ZINC000032777777 570221926 /nfs/dbraw/zinc/22/19/26/570221926.db2.gz XFINWFFXGZLHBM-UHFFFAOYSA-N 0 0 270.376 3.847 50 0 CHAARN CCC[C@H](C)NC(=O)N[C@H](C)c1ccccc1Cl ZINC000032795116 570223489 /nfs/dbraw/zinc/22/34/89/570223489.db2.gz QRWGDBMOANRAKC-WDEREUQCSA-N 0 0 268.788 3.889 50 0 CHAARN C[C@@H](Sc1ccccc1)C(=O)N[C@@H]1CCc2ccccc21 ZINC000032843555 570224961 /nfs/dbraw/zinc/22/49/61/570224961.db2.gz ASPYFXXJLMCGBS-CXAGYDPISA-N 0 0 297.423 3.971 50 0 CHAARN Cc1nc2cc(NC(=O)c3ccc(C)c(F)c3)ccc2o1 ZINC000024926125 570228353 /nfs/dbraw/zinc/22/83/53/570228353.db2.gz FMUMQUVSAKCSET-UHFFFAOYSA-N 0 0 284.290 3.836 50 0 CHAARN O=C(NCc1ccc(Cl)s1)c1cc(F)cc(F)c1 ZINC000025519924 570230325 /nfs/dbraw/zinc/23/03/25/570230325.db2.gz YRKUUPICMZULDK-UHFFFAOYSA-N 0 0 287.718 3.610 50 0 CHAARN O=C(NCc1cccnc1)c1sccc1-c1ccccc1 ZINC000025705895 570230816 /nfs/dbraw/zinc/23/08/16/570230816.db2.gz NHGZPOPCVWNKMD-UHFFFAOYSA-N 0 0 294.379 3.740 50 0 CHAARN CC[C@H](C)[C@@H](C(=O)Nc1nnc(C)s1)c1ccccc1 ZINC000032992757 570234184 /nfs/dbraw/zinc/23/41/84/570234184.db2.gz CGDCBCPFRCOMTF-GXFFZTMASA-N 0 0 289.404 3.615 50 0 CHAARN Oc1ccc(I)cc1-c1ccccc1 ZINC000039406679 570234794 /nfs/dbraw/zinc/23/47/94/570234794.db2.gz RNAKFENSCBCFIJ-UHFFFAOYSA-N 0 0 296.107 3.664 50 0 CHAARN Cc1ccc2c(N)c(C(=O)c3ccc(F)cc3)sc2n1 ZINC000044965670 570235892 /nfs/dbraw/zinc/23/58/92/570235892.db2.gz SMZQYBBHFPDEFK-UHFFFAOYSA-N 0 0 286.331 3.557 50 0 CHAARN Cc1cccc(CNc2nc(-c3ccccc3)no2)c1 ZINC000095397033 570235900 /nfs/dbraw/zinc/23/59/00/570235900.db2.gz PFPVRBYSHZEXDV-UHFFFAOYSA-N 0 0 265.316 3.657 50 0 CHAARN COc1ccc2c(c1)CC[C@H]1C2=CC[C@@]2(C)[C@@H]1CC[C@@H]2O ZINC000071772570 570236755 /nfs/dbraw/zinc/23/67/55/570236755.db2.gz HAEKHUDOKPDLPV-RDGPPVDQSA-N 0 0 284.399 3.822 50 0 CHAARN CN(C(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000047219841 570237258 /nfs/dbraw/zinc/23/72/58/570237258.db2.gz FAIQOZUPKKSBQF-UHFFFAOYSA-N 0 0 279.261 3.982 50 0 CHAARN Cc1cc(C(=O)N(C)Cc2ccco2)c2cccc(C)c2n1 ZINC000055270915 570242197 /nfs/dbraw/zinc/24/21/97/570242197.db2.gz JTLCAWUFBIJYAY-UHFFFAOYSA-N 0 0 294.354 3.717 50 0 CHAARN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)CC ZINC000055244194 570242217 /nfs/dbraw/zinc/24/22/17/570242217.db2.gz AZMYCURKYLVDCQ-NSHDSACASA-N 0 0 253.773 3.877 50 0 CHAARN CC[C@H]1CCCN1C(=O)CCn1c(C)cc2ccccc21 ZINC000055357807 570242855 /nfs/dbraw/zinc/24/28/55/570242855.db2.gz QFJKVZFZVSMDNR-INIZCTEOSA-N 0 0 284.403 3.741 50 0 CHAARN CC(=O)Nc1cc(Cl)c(Cl)cc1Br ZINC000065336847 570243680 /nfs/dbraw/zinc/24/36/80/570243680.db2.gz VIWRGBIBHKQAPZ-UHFFFAOYSA-N 0 0 282.952 3.714 50 0 CHAARN CCc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000064984563 570243715 /nfs/dbraw/zinc/24/37/15/570243715.db2.gz RJZFITYOISZOEL-OAHLLOKOSA-N 0 0 299.374 3.914 50 0 CHAARN FC(F)(F)Oc1cc(Br)cc2cccnc21 ZINC000065337061 570243753 /nfs/dbraw/zinc/24/37/53/570243753.db2.gz BRADLZHKEDVMNB-UHFFFAOYSA-N 0 0 292.054 3.896 50 0 CHAARN CC(C)(C)NC(=O)CCc1cccc2ccccc21 ZINC000067338844 570246253 /nfs/dbraw/zinc/24/62/53/570246253.db2.gz CRZMQVIDQAWYAZ-UHFFFAOYSA-N 0 0 255.361 3.687 50 0 CHAARN CC[C@H](C(=O)Nc1ccc(O)cc1C)c1ccccc1 ZINC000004666611 570247313 /nfs/dbraw/zinc/24/73/13/570247313.db2.gz NBUSDZNSNFMUSZ-HNNXBMFYSA-N 0 0 269.344 3.833 50 0 CHAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCCCCC1 ZINC000004671793 570247779 /nfs/dbraw/zinc/24/77/79/570247779.db2.gz DLCNLZDTVVXRJU-UHFFFAOYSA-N 0 0 288.366 3.561 50 0 CHAARN c1cnc2c(c1)cccc2COc1ccc2c(c1)OCO2 ZINC000011230420 570248584 /nfs/dbraw/zinc/24/85/84/570248584.db2.gz OWNJECCNQTWWHJ-UHFFFAOYSA-N 0 0 279.295 3.543 50 0 CHAARN COc1ccccc1NC(=O)c1cc(-c2ccccc2)no1 ZINC000033145323 570248782 /nfs/dbraw/zinc/24/87/82/570248782.db2.gz VYKDJXNOJVVVLC-UHFFFAOYSA-N 0 0 294.310 3.603 50 0 CHAARN CCOc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OC ZINC000004681106 570248878 /nfs/dbraw/zinc/24/88/78/570248878.db2.gz WQQABYPVYMALDO-UHFFFAOYSA-N 0 0 299.370 3.963 50 0 CHAARN Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2n1 ZINC000000217271 570263684 /nfs/dbraw/zinc/26/36/84/570263684.db2.gz YDWXOUSZTLISCA-WBMJQRKESA-N 0 0 282.387 3.852 50 0 CHAARN CC(=O)C[C@H](CC(=O)NC1CCCCC1)c1ccccc1 ZINC000000374618 570265994 /nfs/dbraw/zinc/26/59/94/570265994.db2.gz ODUQZSWDJNIIIG-MRXNPFEDSA-N 0 0 287.403 3.588 50 0 CHAARN CC[C@@H]1CCCCN1C(=O)/C=C\c1ccc(F)cc1 ZINC000033456603 570267010 /nfs/dbraw/zinc/26/70/10/570267010.db2.gz BPBSBPQYQFJLGI-MEODZPNASA-N 0 0 261.340 3.630 50 0 CHAARN Cc1ccc(Cl)cc1N1C(=O)Nc2ccccc2N1O ZINC000005036961 570267704 /nfs/dbraw/zinc/26/77/04/570267704.db2.gz UJUVJOQRLKGMGZ-UHFFFAOYSA-N 0 0 289.722 3.811 50 0 CHAARN CC1C/C(=C\c2cccnc2)C(=O)/C(=C\c2cccnc2)C1 ZINC000001802451 570268902 /nfs/dbraw/zinc/26/89/02/570268902.db2.gz LTEXLUXFVUIUEF-ICFDZUSXSA-N 0 0 290.366 3.943 50 0 CHAARN COCc1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000252481452 570270278 /nfs/dbraw/zinc/27/02/78/570270278.db2.gz CMLGNLWJCJLNNA-UHFFFAOYSA-N 0 0 274.295 3.616 50 0 CHAARN CCCC[C@@H](Nc1nn2cc(C)nc2s1)C1CCC1 ZINC000079093288 570273032 /nfs/dbraw/zinc/27/30/32/570273032.db2.gz RJMTUJTVKQHHSS-GFCCVEGCSA-N 0 0 278.425 3.870 50 0 CHAARN CC1(C)Cc2[nH]nc(C=Cc3ccccc3)c2C(=O)C1 ZINC000033929667 570273592 /nfs/dbraw/zinc/27/35/92/570273592.db2.gz XXBZYMRPXWOLAK-HJWRWDBZSA-N 0 0 266.344 3.735 50 0 CHAARN CCCCC[C@@H](C)NC(=S)Nc1ccc(OC)cc1 ZINC000003328823 570275177 /nfs/dbraw/zinc/27/51/77/570275177.db2.gz YNVQRYYPYJARHU-GFCCVEGCSA-N 0 0 280.437 3.950 50 0 CHAARN CCCCN(CC)C(=O)c1ccccc1Br ZINC000002739655 570278073 /nfs/dbraw/zinc/27/80/73/570278073.db2.gz KNFQWDAKTKPAJP-UHFFFAOYSA-N 0 0 284.197 3.711 50 0 CHAARN O=C(Nc1cccc2c1CCCC2)c1ccc(Cl)nc1 ZINC000014075336 570286211 /nfs/dbraw/zinc/28/62/11/570286211.db2.gz OMXDAGMPOBDVPV-UHFFFAOYSA-N 0 0 286.762 3.866 50 0 CHAARN Cc1ccc(C(=O)c2oc3nc(C)cc(C)c3c2N)cc1 ZINC000000554229 570287720 /nfs/dbraw/zinc/28/77/20/570287720.db2.gz WLKBFVLTMISDCO-UHFFFAOYSA-N 0 0 280.327 3.566 50 0 CHAARN CCOc1cccc(C(=O)Nc2cccc3ncccc32)c1 ZINC000000556541 570287741 /nfs/dbraw/zinc/28/77/41/570287741.db2.gz KKJLUHDUPYZQMX-UHFFFAOYSA-N 0 0 292.338 3.886 50 0 CHAARN CCN(C(=O)Nc1ccc(Cl)nc1)[C@@H](C)C(C)C ZINC000049395622 570300387 /nfs/dbraw/zinc/30/03/87/570300387.db2.gz JJDMKNHRLFPUDI-JTQLQIEISA-N 0 0 269.776 3.633 50 0 CHAARN CCCCCCNC(=O)Nc1ccccc1COC ZINC000046033252 570295724 /nfs/dbraw/zinc/29/57/24/570295724.db2.gz FEQAEFOJVCYDBT-UHFFFAOYSA-N 0 0 264.369 3.535 50 0 CHAARN Cc1ccc(F)cc1NCc1nc(-c2ccccc2)no1 ZINC000048215156 570296461 /nfs/dbraw/zinc/29/64/61/570296461.db2.gz QRAKHCASEIXJBL-UHFFFAOYSA-N 0 0 283.306 3.796 50 0 CHAARN CC(C)c1ccc(OCCNC(=O)C[C@@H]2C=CCC2)cc1 ZINC000048333607 570297249 /nfs/dbraw/zinc/29/72/49/570297249.db2.gz XUJKZICIBHFQRV-OAHLLOKOSA-N 0 0 287.403 3.661 50 0 CHAARN COc1cccc(-c2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000048330438 570297457 /nfs/dbraw/zinc/29/74/57/570297457.db2.gz SETJYZDXCBAYMA-UHFFFAOYSA-N 0 0 260.243 3.517 50 0 CHAARN C[C@H]1c2cccn2CCN1Cc1ccccc1Cl ZINC000048355921 570298005 /nfs/dbraw/zinc/29/80/05/570298005.db2.gz UHNITSWWYNFBEH-LBPRGKRZSA-N 0 0 260.768 3.718 50 0 CHAARN Cc1c(Cl)cccc1NC(=O)CCCn1cccc1 ZINC000049031002 570299935 /nfs/dbraw/zinc/29/99/35/570299935.db2.gz XUHXMXIRAHYCDI-UHFFFAOYSA-N 0 0 276.767 3.869 50 0 CHAARN O=C(CCC1CCCC1)Nc1cccc(-c2nnco2)c1 ZINC000024743845 570302859 /nfs/dbraw/zinc/30/28/59/570302859.db2.gz NPGMBANIAYQRIX-UHFFFAOYSA-N 0 0 285.347 3.646 50 0 CHAARN c1ccc2cc(-c3ncc(CN4CCC4)cn3)ccc2c1 ZINC000215705160 570303609 /nfs/dbraw/zinc/30/36/09/570303609.db2.gz LFKBBBJSMDPVCN-UHFFFAOYSA-N 0 0 275.355 3.503 50 0 CHAARN CC(C)c1nc(CN2CC[C@@H]2c2ccc(F)cc2)co1 ZINC000215813984 570304271 /nfs/dbraw/zinc/30/42/71/570304271.db2.gz QFDOETNYIBEKQU-OAHLLOKOSA-N 0 0 274.339 3.884 50 0 CHAARN Cc1ccc(-c2cnn(-c3ccc(F)cc3)c2N)cc1 ZINC000215851409 570304508 /nfs/dbraw/zinc/30/45/08/570304508.db2.gz XISNEUPKVODBIN-UHFFFAOYSA-N 0 0 267.307 3.569 50 0 CHAARN O=C(N[C@@H](c1ccsc1)c1cccs1)c1ccoc1 ZINC000390827616 570309808 /nfs/dbraw/zinc/30/98/08/570309808.db2.gz ZULBKZKTVBQOMK-ZDUSSCGKSA-N 0 0 289.381 3.922 50 0 CHAARN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000408064 570314254 /nfs/dbraw/zinc/31/42/54/570314254.db2.gz RATLGHAFMOXIFY-UHFFFAOYSA-N 0 0 275.735 3.991 50 0 CHAARN CCCc1cc(C(=O)Cc2ccc(F)cc2)c(O)cc1O ZINC000000494689 570315755 /nfs/dbraw/zinc/31/57/55/570315755.db2.gz IJQDYIQGYMYBID-UHFFFAOYSA-N 0 0 288.318 3.615 50 0 CHAARN Cc1cc(Oc2ccccc2O)nc(-c2ccccc2)n1 ZINC000012391540 570315784 /nfs/dbraw/zinc/31/57/84/570315784.db2.gz JRUNGXHYSALQDF-UHFFFAOYSA-N 0 0 278.311 3.950 50 0 CHAARN N#C[C@H]1C=Cc2ccccc2N1C(=O)/C=C/c1ccccc1 ZINC000000007879 570319079 /nfs/dbraw/zinc/31/90/79/570319079.db2.gz LEQAQLPUUAHOIR-JIIJFUIFSA-N 0 0 286.334 3.652 50 0 CHAARN Cc1c2ccccc2[nH]c1CN(C)Cc1nccn1C1CC1 ZINC000244708299 570321036 /nfs/dbraw/zinc/32/10/36/570321036.db2.gz KRFSBWXNICYMSA-UHFFFAOYSA-N 0 0 294.402 3.640 50 0 CHAARN C[C@]12CC[C@@H]3c4ccc(CO)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000005881472 570325933 /nfs/dbraw/zinc/32/59/33/570325933.db2.gz CUWQAYNNRUMVQO-VXNCWWDNSA-N 0 0 284.399 3.604 50 0 CHAARN CC(C)Nc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000001972850 570326754 /nfs/dbraw/zinc/32/67/54/570326754.db2.gz BCDGHCARLNLHIP-VIFPVBQESA-N 0 0 261.394 3.636 50 0 CHAARN Cc1ccc2nc(NC(=O)CCc3cccnc3)sc2c1 ZINC000012543675 570327365 /nfs/dbraw/zinc/32/73/65/570327365.db2.gz DVBLULGXMSPXFD-UHFFFAOYSA-N 0 0 297.383 3.571 50 0 CHAARN Cc1cccc(N2C(=O)S[C@@H](Nc3ccccc3)C2=O)c1 ZINC000001227757 570328488 /nfs/dbraw/zinc/32/84/88/570328488.db2.gz GSSPFXLVLYUCFN-CQSZACIVSA-N 0 0 298.367 3.633 50 0 CHAARN CSCc1ccc(C(=O)Nc2cc(F)ccc2C)o1 ZINC000012599345 570329244 /nfs/dbraw/zinc/32/92/44/570329244.db2.gz KXKARVGFDAXCPI-UHFFFAOYSA-N 0 0 279.336 3.842 50 0 CHAARN COc1ccc(NCC[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000004054385 570331041 /nfs/dbraw/zinc/33/10/41/570331041.db2.gz BJXLDKJEHCTORC-INIZCTEOSA-N 0 0 291.778 3.884 50 0 CHAARN Cc1ccc2[nH]c([C@H](C)NC(=O)c3ccccc3F)nc2c1 ZINC000001385895 570333018 /nfs/dbraw/zinc/33/30/18/570333018.db2.gz UQVBQPPVDIMUCF-NSHDSACASA-N 0 0 297.333 3.501 50 0 CHAARN CCc1c2cc(F)ccc2oc1C(=O)c1ccc[nH]1 ZINC000012753955 570336525 /nfs/dbraw/zinc/33/65/25/570336525.db2.gz WXSITIBADFUYOS-UHFFFAOYSA-N 0 0 257.264 3.693 50 0 CHAARN CCC(C)(C)c1ccc(Oc2ncnc3c2cnn3C)cc1 ZINC000012758008 570336532 /nfs/dbraw/zinc/33/65/32/570336532.db2.gz QOZCKIKTWNPUKY-UHFFFAOYSA-N 0 0 296.374 3.843 50 0 CHAARN O=C(Nc1c(F)cccc1Br)[C@@H]1CC=CCC1 ZINC000084246024 570337056 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/nfs/dbraw/zinc/36/42/34/570364234.db2.gz LUZWMIWRGJEELF-UHFFFAOYSA-N 0 0 275.417 3.581 50 0 CHAARN CCc1ccccc1NC(=S)NC(C)(C)CC ZINC000013823531 570364388 /nfs/dbraw/zinc/36/43/88/570364388.db2.gz GSXAVYDTRJDWGL-UHFFFAOYSA-N 0 0 250.411 3.724 50 0 CHAARN Cc1coc(-c2cccc(NC(=O)c3occc3C)c2)n1 ZINC000089701970 570368129 /nfs/dbraw/zinc/36/81/29/570368129.db2.gz OTIRPQGGEUNATC-UHFFFAOYSA-N 0 0 282.299 3.804 50 0 CHAARN CCc1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1 ZINC000000474861 570369593 /nfs/dbraw/zinc/36/95/93/570369593.db2.gz BQQXTKWLKWFKSV-ZHACJKMWSA-N 0 0 255.317 3.802 50 0 CHAARN Cc1ccc(NC(=O)N2CCC(C)CC2)cc1Cl ZINC000000401800 570369779 /nfs/dbraw/zinc/36/97/79/570369779.db2.gz YWPHVVAMHMCRDH-UHFFFAOYSA-N 0 0 266.772 3.912 50 0 CHAARN O=C(Nc1cccc(N2CCCC2)c1)N1CCCCCC1 ZINC000089779460 570370987 /nfs/dbraw/zinc/37/09/87/570370987.db2.gz SXDUQOMUTTWIFQ-UHFFFAOYSA-N 0 0 287.407 3.695 50 0 CHAARN C[C@H](C(=O)N1CCCCC1)c1ccc(Cl)s1 ZINC000089905024 570371058 /nfs/dbraw/zinc/37/10/58/570371058.db2.gz MUMWPUQNORARNO-VIFPVBQESA-N 0 0 257.786 3.518 50 0 CHAARN Cc1ccc(NC2CCN(C(=O)c3ccoc3)CC2)cc1C ZINC000095453386 570371719 /nfs/dbraw/zinc/37/17/19/570371719.db2.gz MQTCWRAWCNBNJO-UHFFFAOYSA-N 0 0 298.386 3.613 50 0 CHAARN c1c[nH]c([C@@H]2CCCCN2Cc2ccc3ccccc3n2)n1 ZINC000095422798 570371819 /nfs/dbraw/zinc/37/18/19/570371819.db2.gz DNDPRWYHBPIODR-KRWDZBQOSA-N 0 0 292.386 3.685 50 0 CHAARN COc1ccc2c(CNc3ccccc3C)cc(=O)oc2c1 ZINC000002117097 570373555 /nfs/dbraw/zinc/37/35/55/570373555.db2.gz IDVHPLKTLLABGB-UHFFFAOYSA-N 0 0 295.338 3.722 50 0 biogenic CHAARN CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC000252581649 570375421 /nfs/dbraw/zinc/37/54/21/570375421.db2.gz HCACSSNDKLCPTC-REWJHTLYSA-N 0 0 293.432 3.516 50 0 CHAARN C[C@@H]1CC[C@H](Nc2ccccc2C[S@@](C)=O)C[C@H]1C ZINC000252587391 570375746 /nfs/dbraw/zinc/37/57/46/570375746.db2.gz XWSFVTKYFIVRCA-PITQQHRWSA-N 0 0 279.449 3.802 50 0 CHAARN COc1cccc(/C=C/C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000003482744 570378893 /nfs/dbraw/zinc/37/88/93/570378893.db2.gz PHJCCRYTLLWPRH-CSKARUKUSA-N 0 0 281.355 3.964 50 0 CHAARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CCC2=O ZINC000004023564 570380048 /nfs/dbraw/zinc/38/00/48/570380048.db2.gz LUJVUUWNAPIQQI-CFRSGVNKSA-N 0 0 284.399 3.863 50 0 biogenic CHAARN O=C(Oc1ccc(-c2ccccc2)cc1)c1cccnc1 ZINC000000117941 570382361 /nfs/dbraw/zinc/38/23/61/570382361.db2.gz JNRWJDGDSFQCBE-UHFFFAOYSA-N 0 0 275.307 3.968 50 0 biogenic CHAARN Cc1ccc(OCC(=O)NC2CCCCCCC2)cc1 ZINC000000326682 570382800 /nfs/dbraw/zinc/38/28/00/570382800.db2.gz QDGNNYWNWICFEC-UHFFFAOYSA-N 0 0 275.392 3.603 50 0 CHAARN S=C(c1ccc(Br)cc1)N1CCCCC1 ZINC000000355245 570382926 /nfs/dbraw/zinc/38/29/26/570382926.db2.gz ILKQIVOMWVNDQN-UHFFFAOYSA-N 0 0 284.222 3.611 50 0 CHAARN CCC(=O)Nc1cc(Br)c(F)cc1Cl ZINC000098018945 570383186 /nfs/dbraw/zinc/38/31/86/570383186.db2.gz CQNMAWRDJDSKRL-UHFFFAOYSA-N 0 0 280.524 3.590 50 0 CHAARN COc1ccccc1-c1noc([C@H](C)N[C@H]2C=CCCC2)n1 ZINC000253431119 570386113 /nfs/dbraw/zinc/38/61/13/570386113.db2.gz TZYTXXYUILMGCZ-STQMWFEESA-N 0 0 299.374 3.505 50 0 CHAARN Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[C@H](C)C1 ZINC000012953185 570390565 /nfs/dbraw/zinc/39/05/65/570390565.db2.gz NROSCWJKDBKFMY-LBPRGKRZSA-N 0 0 284.359 3.522 50 0 CHAARN CN(C(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000012977126 570390796 /nfs/dbraw/zinc/39/07/96/570390796.db2.gz XRZINIFWVXGVLT-UHFFFAOYSA-N 0 0 251.738 3.678 50 0 CHAARN O=C1N=C(Nc2ccccc2)C(=Cc2ccco2)S1 ZINC000012514716 570395155 /nfs/dbraw/zinc/39/51/55/570395155.db2.gz FVGXXUGQWLGQQG-XFXZXTDPSA-N 0 0 270.313 3.998 50 0 CHAARN Cc1cc(C(=O)N2CCc3ccccc32)c2ccccc2n1 ZINC000002616436 570396936 /nfs/dbraw/zinc/39/69/36/570396936.db2.gz ZMRASYUSRZLLSF-UHFFFAOYSA-N 0 0 288.350 3.746 50 0 CHAARN COc1ccc(C)cc1NC(=O)Cc1ccccc1Cl ZINC000002633730 570397343 /nfs/dbraw/zinc/39/73/43/570397343.db2.gz WBBGIXRMWWQTNJ-UHFFFAOYSA-N 0 0 289.762 3.838 50 0 CHAARN Cc1ncc(CN(C)C(=O)NC2CCCCCCC2)s1 ZINC000056370990 570398291 /nfs/dbraw/zinc/39/82/91/570398291.db2.gz YFHXUWKSJVVHKS-UHFFFAOYSA-N 0 0 295.452 3.706 50 0 CHAARN O=C(CCCc1c[nH]c2ccccc12)NC1CCCCC1 ZINC000003344009 570398741 /nfs/dbraw/zinc/39/87/41/570398741.db2.gz UBLOPJKKYBQAES-UHFFFAOYSA-N 0 0 284.403 3.940 50 0 CHAARN CCCCn1ncnc1-c1ccc([C@H]2CCCO2)s1 ZINC000670438604 570398884 /nfs/dbraw/zinc/39/88/84/570398884.db2.gz JPUNMANOBCHPCX-LLVKDONJSA-N 0 0 277.393 3.658 50 0 CHAARN CC(=O)c1ccccc1NCC(=O)Nc1ccc(C)cc1C ZINC000003440720 570399388 /nfs/dbraw/zinc/39/93/88/570399388.db2.gz NACHZHPLHIEIAQ-UHFFFAOYSA-N 0 0 296.370 3.557 50 0 CHAARN Cc1ccc([C@@H](C)NC(=O)c2c(C)cccc2Cl)cn1 ZINC000670449810 570400096 /nfs/dbraw/zinc/40/00/96/570400096.db2.gz CTUKGMHMBMYXIQ-GFCCVEGCSA-N 0 0 288.778 3.843 50 0 CHAARN O=C(NCC1CCC1)c1ccc(OCc2ccccc2)cc1 ZINC000031442240 570400270 /nfs/dbraw/zinc/40/02/70/570400270.db2.gz XAFZRWMQIHHIIK-UHFFFAOYSA-N 0 0 295.382 3.796 50 0 CHAARN CCN(CC)[C@H](CC(C)C)c1nnnn1C1CCCCC1 ZINC000039931673 570401402 /nfs/dbraw/zinc/40/14/02/570401402.db2.gz RTHGJINARFZSMW-OAHLLOKOSA-N 0 0 293.459 3.607 50 0 CHAARN CCCC(=O)O[C@H](c1cccs1)c1ccccn1 ZINC000069664587 570402113 /nfs/dbraw/zinc/40/21/13/570402113.db2.gz SOWOGHZDGUYKIR-AWEZNQCLSA-N 0 0 261.346 3.576 50 0 CHAARN CC(C)(C)SCc1nnc(Cc2ccccc2)o1 ZINC000069702687 570402124 /nfs/dbraw/zinc/40/21/24/570402124.db2.gz TUIUVCRSAQBWCX-UHFFFAOYSA-N 0 0 262.378 3.692 50 0 CHAARN CCc1ccc(C(=O)N(CC)CCC(F)(F)F)cc1 ZINC000069625730 570402178 /nfs/dbraw/zinc/40/21/78/570402178.db2.gz GIIQPJAGQKGGCR-UHFFFAOYSA-N 0 0 273.298 3.664 50 0 CHAARN Cc1nc(S[C@H](C)C(=O)c2cc(F)ccc2F)oc1C ZINC000069620558 570402183 /nfs/dbraw/zinc/40/21/83/570402183.db2.gz ZRRMXDLCBXNUEG-SECBINFHSA-N 0 0 297.326 3.933 50 0 CHAARN Cc1nnc([C@H](C)N[C@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000069774844 570402519 /nfs/dbraw/zinc/40/25/19/570402519.db2.gz BJCNFLWICQBNJU-BONVTDFDSA-N 0 0 289.354 3.709 50 0 CHAARN CCN(C(C)=O)[C@@H](c1cccnc1)c1cc(C)cc(C)c1 ZINC000069777217 570402599 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566968095 /nfs/dbraw/zinc/96/80/95/566968095.db2.gz PATINMGCBUPUQC-OIISXLGYSA-N 0 0 293.451 3.763 50 0 CHAARN CCC[C@H]1C[C@H](C)C(=O)N(c2ccccc2Cl)C1=O ZINC000001876875 566970369 /nfs/dbraw/zinc/97/03/69/566970369.db2.gz KYLXXYQOAAEJPB-QWRGUYRKSA-N 0 0 279.767 3.656 50 0 CHAARN Cc1ccc(CNC(=O)CCc2ccc3cc[nH]c3c2)cc1 ZINC000075550839 566971551 /nfs/dbraw/zinc/97/15/51/566971551.db2.gz HQAMVISWTDUHEZ-UHFFFAOYSA-N 0 0 292.382 3.725 50 0 CHAARN Cc1ccc([N+](=O)[O-])cc1NN=C1CCc2ccccc21 ZINC000252475287 566973682 /nfs/dbraw/zinc/97/36/82/566973682.db2.gz XPKLDTCDQISJKW-UHFFFAOYSA-N 0 0 281.315 3.666 50 0 CHAARN COCc1nc(CSCc2ccccc2OC)cs1 ZINC000089420407 566975483 /nfs/dbraw/zinc/97/54/83/566975483.db2.gz HLBHPZGCRZZJBK-UHFFFAOYSA-N 0 0 295.429 3.732 50 0 CHAARN Cc1cc(C(=O)OCc2coc(C(C)(C)C)n2)c(C)o1 ZINC000521394121 566977552 /nfs/dbraw/zinc/97/75/52/566977552.db2.gz GAZPFDMIXTVSDH-UHFFFAOYSA-N 0 0 277.320 3.539 50 0 CHAARN CC[C@H](C)NC(=O)c1c(C)cc(C)n1Cc1cccc(C)c1 ZINC000035836913 566977595 /nfs/dbraw/zinc/97/75/95/566977595.db2.gz HKBAVWQDZTZBFV-HNNXBMFYSA-N 0 0 298.430 3.990 50 0 CHAARN Cc1cc(C)c2nc(C)cc(C(=O)NCC(C)C)c2c1 ZINC000064551782 566981729 /nfs/dbraw/zinc/98/17/29/566981729.db2.gz QMZGTCSKSCNZCS-UHFFFAOYSA-N 0 0 270.376 3.546 50 0 CHAARN Cc1nc(CC(=O)Nc2cc(C)ccc2Cl)cs1 ZINC000064554616 566982005 /nfs/dbraw/zinc/98/20/05/566982005.db2.gz MNUDMRRFYNBHOI-UHFFFAOYSA-N 0 0 280.780 3.595 50 0 CHAARN CC[C@@H](C)NC(=O)c1c2c(nc3ccc(C)cc31)CCC2 ZINC000064553349 566982076 /nfs/dbraw/zinc/98/20/76/566982076.db2.gz NTRJVGCNGNOCLZ-GFCCVEGCSA-N 0 0 282.387 3.560 50 0 CHAARN Cc1cc(C(=O)NC2CCCC2)c2cccc(Cl)c2n1 ZINC000064553195 566982188 /nfs/dbraw/zinc/98/21/88/566982188.db2.gz YHUVKTOONNOJOC-UHFFFAOYSA-N 0 0 288.778 3.869 50 0 CHAARN Cc1ccsc1-c1nnc(Cc2ccc(F)cc2)o1 ZINC000064556981 566982314 /nfs/dbraw/zinc/98/23/14/566982314.db2.gz YXJQERWRMLBHBB-UHFFFAOYSA-N 0 0 274.320 3.836 50 0 CHAARN CC(C)CCNC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000064580016 566982371 /nfs/dbraw/zinc/98/23/71/566982371.db2.gz WRZGGJJSYOZDET-OAHLLOKOSA-N 0 0 278.371 3.718 50 0 CHAARN COc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@@H](c1ccco1)N2 ZINC000169355456 566982668 /nfs/dbraw/zinc/98/26/68/566982668.db2.gz ZAYPLRCYKMEKKL-KNXALSJPSA-N 0 0 271.316 3.533 50 0 biogenic CHAARN C[C@H](O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000226273061 566982715 /nfs/dbraw/zinc/98/27/15/566982715.db2.gz HVBHQYOJGBEMQN-JTQLQIEISA-N 0 0 275.735 3.646 50 0 CHAARN O=c1[nH]c2ccccc2nc1/C=C/c1ccc2ncccc2c1 ZINC000004248178 566985055 /nfs/dbraw/zinc/98/50/55/566985055.db2.gz IEYOMRNZOGKIOI-CSKARUKUSA-N 0 0 299.333 3.642 50 0 CHAARN Clc1ccc(CNc2ccc3cn[nH]c3c2)cc1 ZINC000035040311 566986266 /nfs/dbraw/zinc/98/62/66/566986266.db2.gz AXIXBQVTLFGRLL-UHFFFAOYSA-N 0 0 257.724 3.828 50 0 CHAARN Cc1nc2c(C)cc(-c3cc(F)cc4cccnc43)cn2n1 ZINC000426594819 566987214 /nfs/dbraw/zinc/98/72/14/566987214.db2.gz KILWBUOHIBZGEF-UHFFFAOYSA-N 0 0 292.317 3.700 50 0 CHAARN CO[C@@H](C)c1ccc(-c2cc(C)c(C)[nH]c2=O)cc1 ZINC000426368294 566988037 /nfs/dbraw/zinc/98/80/37/566988037.db2.gz KTNGJDTXIAJBFO-LBPRGKRZSA-N 0 0 257.333 3.778 50 0 CHAARN Cc1ccc(N2CCOC2=O)c(C2=CCCCC2)c1 ZINC000426522924 566988372 /nfs/dbraw/zinc/98/83/72/566988372.db2.gz OUWOXAIJEPTIHV-UHFFFAOYSA-N 0 0 257.333 3.909 50 0 CHAARN CC(C)(C)c1nc(-c2ccccc2OC(F)(F)F)n[nH]1 ZINC000426491546 566989185 /nfs/dbraw/zinc/98/91/85/566989185.db2.gz PHQWBOSDRCXGDA-UHFFFAOYSA-N 0 0 285.269 3.668 50 0 CHAARN COc1ccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)c(C)c1 ZINC000426474249 566989197 /nfs/dbraw/zinc/98/91/97/566989197.db2.gz KVLZORGVYQDJPT-UHFFFAOYSA-N 0 0 298.386 3.625 50 0 CHAARN CC(C)(C)CCC(=O)N[C@H](Cn1ccnc1)c1ccccc1 ZINC000426550086 566989255 /nfs/dbraw/zinc/98/92/55/566989255.db2.gz UGKQQDFIRCTRLP-MRXNPFEDSA-N 0 0 299.418 3.567 50 0 CHAARN Cc1ccc(C(=O)N(C)Cc2ccsc2)n1C(F)F ZINC000426734525 566991620 /nfs/dbraw/zinc/99/16/20/566991620.db2.gz PUJOESXXFWRRKD-UHFFFAOYSA-N 0 0 284.331 3.525 50 0 CHAARN CO[C@@H](C)c1cccc(-c2ccc(C(C)C)nn2)c1 ZINC000426612551 566992107 /nfs/dbraw/zinc/99/21/07/566992107.db2.gz PAJGCSCCQKMVHN-LBPRGKRZSA-N 0 0 256.349 3.974 50 0 CHAARN CC(C)(C)CC(=O)N1CCC[C@H](OCc2ccccc2)C1 ZINC000036314598 566995986 /nfs/dbraw/zinc/99/59/86/566995986.db2.gz ZSNKQDXOTGRDQX-INIZCTEOSA-N 0 0 289.419 3.630 50 0 CHAARN Cc1nc2cc(NC(=O)c3ccccc3F)ccc2o1 ZINC000037976442 566996947 /nfs/dbraw/zinc/99/69/47/566996947.db2.gz DMMULMSEHYMDNW-UHFFFAOYSA-N 0 0 270.263 3.528 50 0 CHAARN Cc1ccc(NC(=O)N2CCOc3ccccc32)cc1F ZINC000006842540 566999592 /nfs/dbraw/zinc/99/95/92/566999592.db2.gz WJLSQQGOIANMIK-UHFFFAOYSA-N 0 0 286.306 3.565 50 0 CHAARN CCc1ccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)s1 ZINC000036392266 567002142 /nfs/dbraw/zinc/00/21/42/567002142.db2.gz CGSLDVZPIBHIRA-LLVKDONJSA-N 0 0 292.231 3.511 50 0 CHAARN C[C@@H]1CN(C(=O)NCc2ccccc2)c2ccccc2S1 ZINC000006876969 567002229 /nfs/dbraw/zinc/00/22/29/567002229.db2.gz UGBQMDUCFMVBON-CYBMUJFWSA-N 0 0 298.411 3.897 50 0 CHAARN CC(C)[C@@H]([NH2+]Cc1cccc(-c2ccccc2)c1)C(=O)[O-] ZINC000170090847 567005725 /nfs/dbraw/zinc/00/57/25/567005725.db2.gz SWNWYRCXQSWZCN-QGZVFWFLSA-N 0 0 283.371 3.552 50 0 CHAARN CC[C@@H](C(=O)N1CCC(=C2CC2)CC1)c1ccccc1 ZINC000238847378 567005798 /nfs/dbraw/zinc/00/57/98/567005798.db2.gz IQALJUAPHOEPGY-QGZVFWFLSA-N 0 0 269.388 3.893 50 0 CHAARN CCCNC(=O)c1c2cc(C)ccc2nc2c1CCCC2 ZINC000036697340 567006529 /nfs/dbraw/zinc/00/65/29/567006529.db2.gz UYDPVSVILPPZJE-UHFFFAOYSA-N 0 0 282.387 3.562 50 0 CHAARN COc1ccc(-c2ccc([C@@H](C)O)cc2)c2cccnc12 ZINC000065455410 567008063 /nfs/dbraw/zinc/00/80/63/567008063.db2.gz RHUYZGMYDMDURT-GFCCVEGCSA-N 0 0 279.339 3.964 50 0 CHAARN CC(C)c1noc([C@H](C)N2CCC[C@H](C(F)(F)F)C2)n1 ZINC000065564123 567009822 /nfs/dbraw/zinc/00/98/22/567009822.db2.gz UPGXEIVQFSTFLM-UWVGGRQHSA-N 0 0 291.317 3.528 50 0 CHAARN CC(C)Oc1ccccc1CC(=O)N1CCCC[C@@H](C)C1 ZINC000170598821 567011795 /nfs/dbraw/zinc/01/17/95/567011795.db2.gz LCKFSMGCNKIMQW-OAHLLOKOSA-N 0 0 289.419 3.665 50 0 CHAARN CC[C@@H](CC(F)(F)F)NC(=O)Cc1cccc(Cl)c1 ZINC000170595312 567012426 /nfs/dbraw/zinc/01/24/26/567012426.db2.gz OJHOBMNJTMSZNP-NSHDSACASA-N 0 0 293.716 3.730 50 0 CHAARN CC(=O)c1ccc(NCc2cc(-c3ccccc3)on2)nc1 ZINC000170604185 567014075 /nfs/dbraw/zinc/01/40/75/567014075.db2.gz HYLMMQNTWFJQPU-UHFFFAOYSA-N 0 0 293.326 3.551 50 0 CHAARN Cc1ccc(CCC(=O)N[C@@H](C)c2cncs2)c(C)c1 ZINC000170605891 567014162 /nfs/dbraw/zinc/01/41/62/567014162.db2.gz WGGXFDYMUXFKSM-ZDUSSCGKSA-N 0 0 288.416 3.570 50 0 CHAARN CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CC1(O)CCCCC1 ZINC000170626691 567015447 /nfs/dbraw/zinc/01/54/47/567015447.db2.gz MEZFDJMZUKNJDS-GJZGRUSLSA-N 0 0 295.467 3.793 50 0 CHAARN CC(=O)N[C@H](C)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000042091778 567015739 /nfs/dbraw/zinc/01/57/39/567015739.db2.gz NGFOWIHIQSBMSP-GFCCVEGCSA-N 0 0 297.358 3.528 50 0 CHAARN Cc1ccc(Cl)cc1NC(=O)N[C@H](C)c1cccnc1 ZINC000013331951 567017574 /nfs/dbraw/zinc/01/75/74/567017574.db2.gz CAYRFDCUQMPMHO-LLVKDONJSA-N 0 0 289.766 3.926 50 0 CHAARN Cc1nc(-c2ccccc2)sc1-c1ccnn1C ZINC000004050605 567019447 /nfs/dbraw/zinc/01/94/47/567019447.db2.gz QKKNLCDXPBSYQV-UHFFFAOYSA-N 0 0 255.346 3.519 50 0 CHAARN CSc1cccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000013737198 567020524 /nfs/dbraw/zinc/02/05/24/567020524.db2.gz QFVNBSDTVMZLJM-VXGBXAGGSA-N 0 0 278.421 3.918 50 0 CHAARN CC[C@@H](NC(=O)N[C@@H](C)CC)c1cccc(Cl)c1 ZINC000013746453 567020993 /nfs/dbraw/zinc/02/09/93/567020993.db2.gz YMBFKFJZXJPYFP-GXFFZTMASA-N 0 0 268.788 3.889 50 0 CHAARN CC[C@H](C)NC(=O)N[C@@H](CC)c1cccc(Cl)c1 ZINC000013746449 567021191 /nfs/dbraw/zinc/02/11/91/567021191.db2.gz YMBFKFJZXJPYFP-GWCFXTLKSA-N 0 0 268.788 3.889 50 0 CHAARN CC[C@H](C)NC(=O)NC(c1ccccc1)c1ccccc1 ZINC000013745678 567021254 /nfs/dbraw/zinc/02/12/54/567021254.db2.gz XAKNCIDFYGIISJ-AWEZNQCLSA-N 0 0 282.387 3.874 50 0 CHAARN CC[C@H](C)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000013746371 567021271 /nfs/dbraw/zinc/02/12/71/567021271.db2.gz XKESEHDQMVOIJM-STQMWFEESA-N 0 0 270.376 3.999 50 0 CHAARN C[C@H](NC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C)c1ccccc1 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CC(C)(c1ccc(OC#N)cc1)c1ccc(OC#N)cc1 ZINC000001630061 567839763 /nfs/dbraw/zinc/83/97/63/567839763.db2.gz AHZMUXQJTGRNHT-UHFFFAOYSA-N 0 0 278.311 3.732 50 0 CHAARN C[C@H](NC(=O)Nc1ccccc1F)c1ccccc1 ZINC000001752561 567843134 /nfs/dbraw/zinc/84/31/34/567843134.db2.gz BIZDHSJZXOELEG-NSHDSACASA-N 0 0 258.296 3.708 50 0 CHAARN CCCOC(=O)c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000001771328 567843439 /nfs/dbraw/zinc/84/34/39/567843439.db2.gz OEBGAQWVXIYNJM-UHFFFAOYSA-N 0 0 298.342 3.897 50 0 CHAARN CCCCOC(=O)Nc1ccc(C(=O)OCCC)cc1 ZINC000001770657 567843603 /nfs/dbraw/zinc/84/36/03/567843603.db2.gz QFXKEONBLIHIES-UHFFFAOYSA-N 0 0 279.336 3.602 50 0 CHAARN O=C(Nc1ccccc1)c1ccccc1C(F)(F)F ZINC000002168844 567845074 /nfs/dbraw/zinc/84/50/74/567845074.db2.gz ZKPGLQPSAPAFAP-UHFFFAOYSA-N 0 0 265.234 3.958 50 0 in-vitro CHAARN CCC1=C[C@](C)(CC)N2C(=O)C(=O)c3c2c1ccc3C ZINC000002362466 567845420 /nfs/dbraw/zinc/84/54/20/567845420.db2.gz BEHDAOZYTIKTQC-KRWDZBQOSA-N 0 0 269.344 3.500 50 0 CHAARN O=C(c1cccc(Cl)c1)c1cc(F)cc(F)c1 ZINC000002378492 567845422 /nfs/dbraw/zinc/84/54/22/567845422.db2.gz QXIUPPISZOSNEK-UHFFFAOYSA-N 0 0 252.647 3.849 50 0 CHAARN CC1(C)[C@@H]2CC[C@]3(C)OC(=O)N(N1c1ccccc1)[C@@]23C ZINC000002379854 567845480 /nfs/dbraw/zinc/84/54/80/567845480.db2.gz NSUOGCYPVWQKRF-JQFCIGGWSA-N 0 0 286.375 3.580 50 0 CHAARN O=C(Cc1cccc(Br)c1)c1ccccc1 ZINC000002392963 567845814 /nfs/dbraw/zinc/84/58/14/567845814.db2.gz RUTOZYXOYXWKPS-UHFFFAOYSA-N 0 0 275.145 3.875 50 0 CHAARN COc1cccc(C(=O)CCc2cccc(C)c2)c1 ZINC000002516415 567846685 /nfs/dbraw/zinc/84/66/85/567846685.db2.gz ZVGBSZXTEDBACJ-UHFFFAOYSA-N 0 0 254.329 3.819 50 0 CHAARN COc1ccc(C(=O)CCc2ccc(C)cc2)cc1 ZINC000002516431 567846750 /nfs/dbraw/zinc/84/67/50/567846750.db2.gz PILCQTXJJGELQA-UHFFFAOYSA-N 0 0 254.329 3.819 50 0 CHAARN CSc1ccc(C(=O)c2cccc(CN3CCC3)c2)cc1 ZINC000002515114 567846897 /nfs/dbraw/zinc/84/68/97/567846897.db2.gz QOHKFSYIDJUCLV-UHFFFAOYSA-N 0 0 297.423 3.845 50 0 CHAARN Cc1cc2ncn(C(=O)Oc3ccccc3)c2cc1C 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CCOc1ccc(OCCOc2ccccc2)cc1 ZINC000002985405 567851064 /nfs/dbraw/zinc/85/10/64/567851064.db2.gz GNFAWRBZAZVUPI-UHFFFAOYSA-N 0 0 258.317 3.543 50 0 CHAARN O=C(Cc1nc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000003269849 567852008 /nfs/dbraw/zinc/85/20/08/567852008.db2.gz ZSQKWFLSMUVVNC-UHFFFAOYSA-N 0 0 270.719 3.642 50 0 CHAARN Cc1cccc(OCc2noc(-c3cccc(F)c3)n2)c1 ZINC000034906990 567852249 /nfs/dbraw/zinc/85/22/49/567852249.db2.gz CDCBSLKEKNXKQP-UHFFFAOYSA-N 0 0 284.290 3.763 50 0 CHAARN Cc1ccccc1-c1nn(-c2ccccc2)cc1C=O ZINC000003379309 567852685 /nfs/dbraw/zinc/85/26/85/567852685.db2.gz PCSFJJSFVBYKPS-UHFFFAOYSA-N 0 0 262.312 3.660 50 0 CHAARN CSc1ccccc1NC(=O)c1cccc(F)c1 ZINC000003432704 567852768 /nfs/dbraw/zinc/85/27/68/567852768.db2.gz XCNXRSYUBPBANV-UHFFFAOYSA-N 0 0 261.321 3.800 50 0 CHAARN CCc1ccccc1NC(=O)Cc1ccccc1F ZINC000003431863 567852778 /nfs/dbraw/zinc/85/27/78/567852778.db2.gz ZLYLOFLAWFPCLT-UHFFFAOYSA-N 0 0 257.308 3.569 50 0 CHAARN Cc1cc(C=O)c(C)n1CCc1ccc(Cl)cc1 ZINC000003379313 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GKXDYZSIIOOPMH-UHFFFAOYSA-N 0 0 256.530 3.959 50 0 CHAARN O=C1CC(c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 ZINC000032985296 570234255 /nfs/dbraw/zinc/23/42/55/570234255.db2.gz VOBGJJLTEQXLPZ-UHFFFAOYSA-N 0 0 299.757 3.777 50 0 CHAARN Cn1ccnc1CN(Cc1cccnc1)C1CCCCCC1 ZINC000055037230 570240407 /nfs/dbraw/zinc/24/04/07/570240407.db2.gz WAEBPADMDXHEQZ-UHFFFAOYSA-N 0 0 298.434 3.540 50 0 CHAARN CSc1ccc2c(C)cc(NCCc3c[nH]cn3)nc2c1 ZINC000055053848 570240606 /nfs/dbraw/zinc/24/06/06/570240606.db2.gz JXRKWOOJNVJCAN-UHFFFAOYSA-N 0 0 298.415 3.643 50 0 CHAARN Cc1nc2c(ncnc2N2CCC[C@H]2c2ccccc2C)o1 ZINC000055369585 570242757 /nfs/dbraw/zinc/24/27/57/570242757.db2.gz JWVXFVGLRGLYLW-AWEZNQCLSA-N 0 0 294.358 3.576 50 0 CHAARN Cc1cccc2[nH]c(-c3ccc4c(c3)OCCCO4)nc21 ZINC000055371309 570242780 /nfs/dbraw/zinc/24/27/80/570242780.db2.gz HVXLWDQSPFSUMX-UHFFFAOYSA-N 0 0 280.327 3.700 50 0 CHAARN CCc1cc([C@@H]2CCCN2C(=O)Nc2ccccc2C)on1 ZINC000064985057 570243718 /nfs/dbraw/zinc/24/37/18/570243718.db2.gz GRJLFQKRMOAUJM-HNNXBMFYSA-N 0 0 299.374 3.914 50 0 CHAARN COc1ccc(NC(=S)Nc2ccc(C)cc2)cc1 ZINC000004685179 570249263 /nfs/dbraw/zinc/24/92/63/570249263.db2.gz POFCVTVKUFGZAC-UHFFFAOYSA-N 0 0 272.373 3.813 50 0 CHAARN Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000000060294 570251162 /nfs/dbraw/zinc/25/11/62/570251162.db2.gz NUBVALAAYASFDS-UHFFFAOYSA-N 0 0 271.703 3.899 50 0 aggregator CHAARN CCOC(=O)CSc1ccnc2cc(Cl)ccc21 ZINC000080444041 570251298 /nfs/dbraw/zinc/25/12/98/570251298.db2.gz PJHUMCXVZGTTBS-UHFFFAOYSA-N 0 0 281.764 3.543 50 0 CHAARN CCOC(=O)c1cc(-c2cccc(N)c2)nc2ccccc21 ZINC000000215209 570263606 /nfs/dbraw/zinc/26/36/06/570263606.db2.gz VUUQPADSXFKUCS-UHFFFAOYSA-N 0 0 292.338 3.661 50 0 CHAARN Cc1ccc(NC(=O)CCCc2ccccc2)cc1O ZINC000000365431 570265388 /nfs/dbraw/zinc/26/53/88/570265388.db2.gz AUNNMKAYBMWNDD-UHFFFAOYSA-N 0 0 269.344 3.662 50 0 CHAARN Fc1ccc(-c2nnc3c(Cl)nc4ccccc4n23)cc1 ZINC000000366818 570265637 /nfs/dbraw/zinc/26/56/37/570265637.db2.gz YEQRITVWZXQFTO-UHFFFAOYSA-N 0 0 298.708 3.737 50 0 CHAARN Cc1cccnc1NC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000046600155 570271190 /nfs/dbraw/zinc/27/11/90/570271190.db2.gz VJEXXOFWPBKRAO-SECBINFHSA-N 0 0 295.795 3.988 50 0 CHAARN c1sc(Nc2ccccc2)nc1-c1ccccn1 ZINC000000440445 570271260 /nfs/dbraw/zinc/27/12/60/570271260.db2.gz VZHGZKUEVAANEJ-UHFFFAOYSA-N 0 0 253.330 3.949 50 0 CHAARN CC1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000000455334 570272167 /nfs/dbraw/zinc/27/21/67/570272167.db2.gz GNYIWGXSJRWLNH-UHFFFAOYSA-N 0 0 253.345 3.712 50 0 CHAARN O=C(O[C@@H](c1ccccc1)c1ccncc1)c1ccco1 ZINC000062680778 570282739 /nfs/dbraw/zinc/28/27/39/570282739.db2.gz YUQBEUYIRVFHEG-INIZCTEOSA-N 0 0 279.295 3.621 50 0 CHAARN CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000000521066 570285833 /nfs/dbraw/zinc/28/58/33/570285833.db2.gz XYKLSOOUVLSMMB-HNNXBMFYSA-N 0 0 282.343 3.676 50 0 CHAARN Cc1ccc(NC(=O)c2csc3c2CCCC3)c(O)c1 ZINC000014245157 570287108 /nfs/dbraw/zinc/28/71/08/570287108.db2.gz CMMHFSFKTOVFFB-UHFFFAOYSA-N 0 0 287.384 3.893 50 0 CHAARN COc1ccc(C(=O)CNc2ccc(C)cc2C)cc1 ZINC000000534904 570287173 /nfs/dbraw/zinc/28/71/73/570287173.db2.gz VEJDHGZTEKZGOA-UHFFFAOYSA-N 0 0 269.344 3.607 50 0 CHAARN Fc1cccc([C@H]2CCCN2Cc2nnsc2Cl)c1 ZINC000044976909 570294554 /nfs/dbraw/zinc/29/45/54/570294554.db2.gz JFXKWKMYBLUQAG-GFCCVEGCSA-N 0 0 297.786 3.668 50 0 CHAARN Cc1sc(-c2cnccn2)nc1-c1ccccc1 ZINC000048640720 570298947 /nfs/dbraw/zinc/29/89/47/570298947.db2.gz YBGYHWYSOPYJFN-UHFFFAOYSA-N 0 0 253.330 3.576 50 0 CHAARN CN(Cc1cccs1)C(=O)c1cc(Cl)ccc1F ZINC000048727918 570299174 /nfs/dbraw/zinc/29/91/74/570299174.db2.gz UZZPUAHLUGPVPF-UHFFFAOYSA-N 0 0 283.755 3.813 50 0 CHAARN Cn1ccnc1CSc1nc(-c2ccccc2)cs1 ZINC000048872712 570299395 /nfs/dbraw/zinc/29/93/95/570299395.db2.gz KXUGWSKSZOGQMT-UHFFFAOYSA-N 0 0 287.413 3.836 50 0 CHAARN COc1ccc2c(c1)[nH]c(=S)cc2C(F)(F)F ZINC000012249794 570301363 /nfs/dbraw/zinc/30/13/63/570301363.db2.gz HIHCZWIKSBEBBR-UHFFFAOYSA-N 0 0 259.252 3.551 50 0 CHAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000215849776 570304298 /nfs/dbraw/zinc/30/42/98/570304298.db2.gz OPEUENINDJXAIV-UHFFFAOYSA-N 0 0 250.301 3.553 50 0 CHAARN c1nc(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)cs1 ZINC000216468909 570305550 /nfs/dbraw/zinc/30/55/50/570305550.db2.gz AONCXLAMQOTCHV-HNNXBMFYSA-N 0 0 298.415 3.747 50 0 CHAARN COc1ccc2c(c1)CC[C@H]1[C@@H]3C[C@@H](O)C[C@@]3(C)CC[C@H]21 ZINC000201236526 570308613 /nfs/dbraw/zinc/30/86/13/570308613.db2.gz SLNMIOMHGWEGBR-QSGLGXSPSA-N 0 0 286.415 3.912 50 0 CHAARN Cc1ccc(CNC(=O)c2ccn(C(C)(C)C)c2)s1 ZINC000220405265 570310551 /nfs/dbraw/zinc/31/05/51/570310551.db2.gz POFCRFXYPSNXBF-UHFFFAOYSA-N 0 0 276.405 3.543 50 0 CHAARN O=C1CC(c2ccccc2)CC(=O)N1c1cccc(Cl)c1 ZINC000032985319 570311397 /nfs/dbraw/zinc/31/13/97/570311397.db2.gz DPUUTNCYPCZLTG-UHFFFAOYSA-N 0 0 299.757 3.777 50 0 CHAARN COc1cccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1 ZINC000033405767 570312101 /nfs/dbraw/zinc/31/21/01/570312101.db2.gz JJIHBVJKHMSIJA-ZSOIEALJSA-N 0 0 285.730 3.841 50 0 CHAARN COC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c21 ZINC000012397229 570316041 /nfs/dbraw/zinc/31/60/41/570316041.db2.gz DUMQYEQXCWQQTD-UHFFFAOYSA-N 0 0 294.310 3.554 50 0 CHAARN C[C@H]1c2cc(F)ccc2CCN1Cc1cc(C2CC2)on1 ZINC000244817199 570321030 /nfs/dbraw/zinc/32/10/30/570321030.db2.gz SVXVIVKFBGANCH-NSHDSACASA-N 0 0 286.350 3.810 50 0 CHAARN Cc1cc([C@@H]2CCCCN2Cc2cc(C3CC3)on2)no1 ZINC000244763913 570321035 /nfs/dbraw/zinc/32/10/35/570321035.db2.gz OXTMQXKBDLVMPK-HNNXBMFYSA-N 0 0 287.363 3.576 50 0 CHAARN CN(Cc1cc(C2CCCCC2)no1)C[C@H]1CCCCO1 ZINC000244794693 570321100 /nfs/dbraw/zinc/32/11/00/570321100.db2.gz QRRLJDHZKRKLIE-OAHLLOKOSA-N 0 0 292.423 3.723 50 0 CHAARN CCOc1ccc2[nH]c(COc3ccccc3C)nc2c1 ZINC000082087021 570325247 /nfs/dbraw/zinc/32/52/47/570325247.db2.gz MWWYTKGPOBSHCW-UHFFFAOYSA-N 0 0 282.343 3.849 50 0 CHAARN Cc1ccsc1/C=C1\N=C(c2ccccc2C)OC1=O ZINC000015264467 570328147 /nfs/dbraw/zinc/32/81/47/570328147.db2.gz OZGXVKRSQMRTDL-LCYFTJDESA-N 0 0 283.352 3.709 50 0 CHAARN Cc1ccc(SCCC(=O)Nc2cccnc2)cc1C ZINC000012586997 570328457 /nfs/dbraw/zinc/32/84/57/570328457.db2.gz AYZUZPMAOFIBHY-UHFFFAOYSA-N 0 0 286.400 3.819 50 0 CHAARN CC[C@H]1C=CCN1C(=O)Nc1ccccc1C1CC1 ZINC000299756699 570329995 /nfs/dbraw/zinc/32/99/95/570329995.db2.gz DRFBGNHTBXHQHK-ZDUSSCGKSA-N 0 0 256.349 3.746 50 0 CHAARN COc1ccc2cc(C(=O)N3CCC[C@@H](C)C3)ccc2c1 ZINC000019170015 570331170 /nfs/dbraw/zinc/33/11/70/570331170.db2.gz CGGHLXFMSJBBGD-CYBMUJFWSA-N 0 0 283.371 3.721 50 0 CHAARN Cc1nnc2c3ccccc3nc(-c3ccccc3Cl)n12 ZINC000001246336 570332044 /nfs/dbraw/zinc/33/20/44/570332044.db2.gz DLULGJAOKRNADW-UHFFFAOYSA-N 0 0 294.745 3.906 50 0 CHAARN C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccnc2)N3)C1 ZINC000004125402 570332350 /nfs/dbraw/zinc/33/23/50/570332350.db2.gz JSPZKXLFHZSMIN-OTYXRUKQSA-N 0 0 299.399 3.697 50 0 CHAARN Clc1ccc(-n2cc(COCc3ccccc3)nn2)cc1 ZINC000001387977 570333404 /nfs/dbraw/zinc/33/34/04/570333404.db2.gz BIGFCLISERWQGI-UHFFFAOYSA-N 0 0 299.761 3.638 50 0 CHAARN Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000002784023 570333610 /nfs/dbraw/zinc/33/36/10/570333610.db2.gz OAFGHYCNOPLOAQ-NEPJUHHUSA-N 0 0 281.281 3.852 50 0 CHAARN CC(=O)NCC[C@H]1[C@H](c2c(C)[nH]c3ccccc32)C1(C)C ZINC000001414675 570334258 /nfs/dbraw/zinc/33/42/58/570334258.db2.gz VDKKKDCNGYVWHA-WMLDXEAASA-N 0 0 284.403 3.742 50 0 biogenic CHAARN COc1ccc(NC(=O)c2cc(F)ccc2F)cc1Cl ZINC000016649415 570334512 /nfs/dbraw/zinc/33/45/12/570334512.db2.gz ACEBZJFFOWBKHN-UHFFFAOYSA-N 0 0 297.688 3.879 50 0 CHAARN COc1ccc(-c2nnc(COc3cccc(C)c3)o2)cc1 ZINC000012749063 570334609 /nfs/dbraw/zinc/33/46/09/570334609.db2.gz GVBJHZUVOXWLJS-UHFFFAOYSA-N 0 0 296.326 3.633 50 0 CHAARN Cc1noc([C@H](C)SCCOc2ccc(C)cc2)n1 ZINC000073920494 570336714 /nfs/dbraw/zinc/33/67/14/570336714.db2.gz MCDASXZXMPVFET-NSHDSACASA-N 0 0 278.377 3.560 50 0 CHAARN Cc1nn([C@@H](C)C(=O)Nc2ccccc2C)c2ccccc12 ZINC000015671621 570337249 /nfs/dbraw/zinc/33/72/49/570337249.db2.gz PBJYLOIQCSOSDT-AWEZNQCLSA-N 0 0 293.370 3.853 50 0 CHAARN Cc1oc(C)c(C(=O)Nc2ccc3c(c2)CCC3)c1C ZINC000015720864 570338247 /nfs/dbraw/zinc/33/82/47/570338247.db2.gz CTVBVTXKYXJBPE-UHFFFAOYSA-N 0 0 269.344 3.946 50 0 CHAARN CCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2OC)cc1 ZINC000001469760 570339143 /nfs/dbraw/zinc/33/91/43/570339143.db2.gz WFFCINYGPKVRNQ-CYBMUJFWSA-N 0 0 299.370 3.664 50 0 CHAARN Cc1cccc(NC(=O)N(C)CCOCC2CC2)c1Cl ZINC000088392106 570346729 /nfs/dbraw/zinc/34/67/29/570346729.db2.gz OZOYJQJTCFFDDZ-UHFFFAOYSA-N 0 0 296.798 3.539 50 0 CHAARN CSc1c(Cl)cccc1NCc1nnc(C2CC2)o1 ZINC000086211038 570340981 /nfs/dbraw/zinc/34/09/81/570340981.db2.gz NIOBDUAJIWAVJE-UHFFFAOYSA-N 0 0 295.795 3.934 50 0 CHAARN Cc1ccc(CNc2cc(C)nc(C(C)C)n2)cc1 ZINC000012854640 570341253 /nfs/dbraw/zinc/34/12/53/570341253.db2.gz VNUDQISUFCZVIE-UHFFFAOYSA-N 0 0 255.365 3.829 50 0 CHAARN Cc1ccc([C@]23CCCN2c2ccccc2C(=O)N3)c(C)c1 ZINC000000398949 570342912 /nfs/dbraw/zinc/34/29/12/570342912.db2.gz WQEIGCARKMFJHC-IBGZPJMESA-N 0 0 292.382 3.500 50 0 CHAARN CCC(=O)Nc1cccc(CCc2nc3ccccc3[nH]2)c1 ZINC000015863644 570345104 /nfs/dbraw/zinc/34/51/04/570345104.db2.gz VLIVQHDWVIHACP-UHFFFAOYSA-N 0 0 293.370 3.697 50 0 CHAARN COc1ccc(CNC(=O)c2cc3ccccc3s2)cc1 ZINC000012890447 570346435 /nfs/dbraw/zinc/34/64/35/570346435.db2.gz HPZXEUZQYVKKCY-UHFFFAOYSA-N 0 0 297.379 3.840 50 0 CHAARN O[C@@]1(Cc2ccncc2)CCCC[C@@H]1c1ccccc1 ZINC000088527007 570347703 /nfs/dbraw/zinc/34/77/03/570347703.db2.gz KLYLJIUNGGORKZ-QZTJIDSGSA-N 0 0 267.372 3.713 50 0 CHAARN CO[C@H](C)c1nc(CN2CCC[C@H]3CCC[C@H]32)cs1 ZINC000240423754 570355139 /nfs/dbraw/zinc/35/51/39/570355139.db2.gz FQNOHJBOXZRDMH-YRGRVCCFSA-N 0 0 280.437 3.615 50 0 CHAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000013005237 570354342 /nfs/dbraw/zinc/35/43/42/570354342.db2.gz NWIPCHUZRIEJAC-AWEZNQCLSA-N 0 0 295.382 3.890 50 0 CHAARN Fc1ccc(OCCNc2nc3ccccc3s2)cc1 ZINC000026776062 570355509 /nfs/dbraw/zinc/35/55/09/570355509.db2.gz QFBVOSITSXSGTL-UHFFFAOYSA-N 0 0 288.347 3.926 50 0 CHAARN CCOc1cc(-c2cc(=O)c3ccccc3o2)ccc1O ZINC000000112014 570357174 /nfs/dbraw/zinc/35/71/74/570357174.db2.gz SGVLEYQKGFPCKV-UHFFFAOYSA-N 0 0 282.295 3.564 50 0 biogenic CHAARN CN(Cc1ccco1)C(=O)c1ccc(-c2ccccc2)nc1 ZINC000035924888 570358509 /nfs/dbraw/zinc/35/85/09/570358509.db2.gz UVOCJEKVVQNNCT-UHFFFAOYSA-N 0 0 292.338 3.614 50 0 CHAARN O=C(Nc1cc(-c2cccs2)no1)c1ccc(F)cc1 ZINC000065152947 570360025 /nfs/dbraw/zinc/36/00/25/570360025.db2.gz KCIDFLNOMBAMGZ-UHFFFAOYSA-N 0 0 288.303 3.795 50 0 CHAARN O=C(NCc1ccccc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000036620347 570360540 /nfs/dbraw/zinc/36/05/40/570360540.db2.gz VWBABVHBPMVLPI-KRWDZBQOSA-N 0 0 298.361 3.872 50 0 CHAARN CCc1noc(-c2cccn2Cc2ccccc2Cl)n1 ZINC000065288364 570361915 /nfs/dbraw/zinc/36/19/15/570361915.db2.gz GVBNXSMOWFSPFZ-UHFFFAOYSA-N 0 0 287.750 3.802 50 0 CHAARN Cc1oc(C2CCC2)nc1C(=O)N[C@@H](C)c1ccccc1 ZINC000065293563 570361918 /nfs/dbraw/zinc/36/19/18/570361918.db2.gz XZDCQFLTACREDN-NSHDSACASA-N 0 0 284.359 3.742 50 0 CHAARN COc1ccccc1-c1nnc(SC[Si](C)(C)C)o1 ZINC000170621455 570363594 /nfs/dbraw/zinc/36/35/94/570363594.db2.gz SDOSAFYKPFMEPY-UHFFFAOYSA-N 0 0 294.452 3.715 50 0 CHAARN CCn1c2ccccc2n(Cc2cccc(Cl)c2)c1=O ZINC000014145451 570365708 /nfs/dbraw/zinc/36/57/08/570365708.db2.gz KYWOTKBWDHAPKR-UHFFFAOYSA-N 0 0 286.762 3.525 50 0 CHAARN CCCn1c2ccccc2nc1NC(=O)[C@@H]1CC=CCC1 ZINC000014626183 570366669 /nfs/dbraw/zinc/36/66/69/570366669.db2.gz GYIJVTDWVPYATK-CYBMUJFWSA-N 0 0 283.375 3.741 50 0 CHAARN CC(=O)N1N=C(c2cccc(C)c2)C[C@@H]1c1cccc(F)c1 ZINC000089669274 570367686 /nfs/dbraw/zinc/36/76/86/570367686.db2.gz IXDYOPGZRDPWBF-GOSISDBHSA-N 0 0 296.345 3.832 50 0 CHAARN CC(C)CC(=O)NC[C@H]1[C@@H](c2ccccc2)C1(C)C ZINC000089802186 570368871 /nfs/dbraw/zinc/36/88/71/570368871.db2.gz RNGVSXNMRLNQTJ-GOEBONIOSA-N 0 0 259.393 3.589 50 0 CHAARN O=C(C1CC=CC1)N1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000089827756 570371027 /nfs/dbraw/zinc/37/10/27/570371027.db2.gz WASCVALTHPQRBA-IEBWSBKVSA-N 0 0 281.399 3.881 50 0 CHAARN 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C[N@@H+](Cc1cccc(O)c1Cl)C[C@H]1CC1(C)C ZINC000584898045 570385720 /nfs/dbraw/zinc/38/57/20/570385720.db2.gz UUGRBUUNINZNAG-LLVKDONJSA-N 0 0 253.773 3.524 50 0 CHAARN Cc1[nH]c2ccc(C(=O)N[C@H](C)c3ccccn3)cc2c1C ZINC000012527904 570387857 /nfs/dbraw/zinc/38/78/57/570387857.db2.gz DJDNHNPJRJRFNC-CYBMUJFWSA-N 0 0 293.370 3.671 50 0 CHAARN CCN(Cc1csc(C)n1)[C@H](C)c1cccc(O)c1 ZINC000079020192 570396057 /nfs/dbraw/zinc/39/60/57/570396057.db2.gz UCNSEHXGZHNSQW-LLVKDONJSA-N 0 0 276.405 3.740 50 0 CHAARN CC(=O)c1ccc2cc(OCc3cnc(C)cn3)ccc2c1 ZINC000079014860 570396110 /nfs/dbraw/zinc/39/61/10/570396110.db2.gz QEDBTEIDXFPLRM-UHFFFAOYSA-N 0 0 292.338 3.720 50 0 CHAARN CC(C)[C@H]1CCN(C(=O)[C@H]2SCCc3ccccc32)C1 ZINC000079070416 570396419 /nfs/dbraw/zinc/39/64/19/570396419.db2.gz NFIQJVPDWVDDDO-HOCLYGCPSA-N 0 0 289.444 3.522 50 0 CHAARN CCCCCC(=O)Nc1c(C)ccc(Cl)c1C(=O)OC ZINC000079071847 570396578 /nfs/dbraw/zinc/39/65/78/570396578.db2.gz FXPNCVUEPQGJDF-UHFFFAOYSA-N 0 0 297.782 3.954 50 0 CHAARN CSCc1ccc(C(=O)Nc2ccccc2F)cc1 ZINC000003351264 570399134 /nfs/dbraw/zinc/39/91/34/570399134.db2.gz IKLMPSRAAGDJPB-UHFFFAOYSA-N 0 0 275.348 3.941 50 0 CHAARN O=C(Cc1cccc(F)c1)Nc1ccc(-c2cnco2)cc1 ZINC000133142332 570399381 /nfs/dbraw/zinc/39/93/81/570399381.db2.gz ADGXLGCHPOTGCI-UHFFFAOYSA-N 0 0 296.301 3.662 50 0 CHAARN C[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000003446748 570399383 /nfs/dbraw/zinc/39/93/83/570399383.db2.gz BROFSILBLFXQCJ-JTQLQIEISA-N 0 0 277.726 3.970 50 0 CHAARN Cc1nnc(CN2CCC[C@@H](c3cccc(C)c3)C2)s1 ZINC000670452169 570400128 /nfs/dbraw/zinc/40/01/28/570400128.db2.gz NJIZMJGDHTUUKR-OAHLLOKOSA-N 0 0 287.432 3.535 50 0 CHAARN c1ccc(CCCSCc2nnc(C3CC3)o2)cc1 ZINC000069774658 570402540 /nfs/dbraw/zinc/40/25/40/570402540.db2.gz WRWKNFGIKSVDAX-UHFFFAOYSA-N 0 0 274.389 3.813 50 0 CHAARN Cc1nnc([C@@H](C)N[C@H](c2ccccc2)C2CCC2)o1 ZINC000069811550 570402608 /nfs/dbraw/zinc/40/26/08/570402608.db2.gz UINSAVGPZVANMD-IAQYHMDHSA-N 0 0 271.364 3.570 50 0 CHAARN CC(=O)c1ccc(C(=O)N2CCC[C@H]2C2CCCC2)cc1 ZINC000069846600 570402886 /nfs/dbraw/zinc/40/28/86/570402886.db2.gz LAGHDTNUIVPRKI-KRWDZBQOSA-N 0 0 285.387 3.684 50 0 CHAARN Cc1ccc2oc(C(=O)Nc3ncccc3C)cc2c1 ZINC000041305713 570403562 /nfs/dbraw/zinc/40/35/62/570403562.db2.gz RJIWZIDIWHEXQU-UHFFFAOYSA-N 0 0 266.300 3.697 50 0 CHAARN Cc1ccc(F)c(O[C@H](C)c2nc(C3CC3)no2)c1 ZINC000174168949 570403954 /nfs/dbraw/zinc/40/39/54/570403954.db2.gz ITYPEFMGHLBGKR-SECBINFHSA-N 0 0 262.284 3.535 50 0 CHAARN Cc1ccc([C@@H](C)NC(=O)c2c(C)oc(C)c2C)o1 ZINC000032808905 570409803 /nfs/dbraw/zinc/40/98/03/570409803.db2.gz WJTLMBKTDVJFCZ-SNVBAGLBSA-N 0 0 261.321 3.597 50 0 CHAARN COc1cccc([C@H]2CCCN2C(=O)C2CCCC2)c1 ZINC000032889860 570410083 /nfs/dbraw/zinc/41/00/83/570410083.db2.gz ZXBJAIYWHAZUKF-MRXNPFEDSA-N 0 0 273.376 3.549 50 0 CHAARN Cc1noc(C)c1C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000048948694 570412822 /nfs/dbraw/zinc/41/28/22/570412822.db2.gz WKMMXRUGVHXVED-SSDOTTSWSA-N 0 0 296.729 3.575 50 0 CHAARN 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CHAARN Cc1nc(-c2cccc(C(=O)N3CCCCC3)c2)cs1 ZINC000089712625 1128121953 /nfs/dbraw/zinc/12/19/53/1128121953.db2.gz QHTDNQVIZDXRSW-UHFFFAOYSA-N 0 0 286.400 3.745 50 0 CHAARN CCC[C@H](C)CC(=O)O[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000170639337 1128158028 /nfs/dbraw/zinc/15/80/28/1128158028.db2.gz QQTJOSWBPLPJFT-MYZSUADSSA-N 0 0 268.397 3.560 50 0 CHAARN COc1ccc(NCc2ccn(-c3ccccc3)n2)c(C)c1 ZINC000225447662 1128163994 /nfs/dbraw/zinc/16/39/94/1128163994.db2.gz MIEZGHINSORDCM-UHFFFAOYSA-N 0 0 293.370 3.801 50 0 CHAARN O=C(/C=C\c1cccs1)Nc1ccc(F)c(F)c1F ZINC000035073442 1128255109 /nfs/dbraw/zinc/25/51/09/1128255109.db2.gz NEPXMSQKBKCPML-UTCJRWHESA-N 0 0 283.274 3.817 50 0 CHAARN CC(C)(C)C(=O)COC(=O)/C=C\c1ccccc1Cl ZINC000034772004 1128234119 /nfs/dbraw/zinc/23/41/19/1128234119.db2.gz KKTAUUKTINEEFO-HJWRWDBZSA-N 0 0 280.751 3.512 50 0 CHAARN CCN(c1ccccc1)S(=O)(=O)/C=C\c1ccccc1 ZINC000213709543 1128330033 /nfs/dbraw/zinc/33/00/33/1128330033.db2.gz BOERVHMJUOYPBT-YPKPFQOOSA-N 0 0 287.384 3.514 50 0 CHAARN C[C@H](NC(=O)/C=C/c1ccco1)c1ccc(Cl)s1 ZINC000033191578 1128478998 /nfs/dbraw/zinc/47/89/98/1128478998.db2.gz WZDUFKVXTUINSU-IYNCYZAOSA-N 0 0 281.764 3.885 50 0 CHAARN O=C(CCCc1ccccc1)N(Cc1ccncc1)C1CC1 ZINC000046744538 1128665197 /nfs/dbraw/zinc/66/51/97/1128665197.db2.gz SBAQJZMUMKEWBU-UHFFFAOYSA-N 0 0 294.398 3.596 50 0 CHAARN CCCCOCCCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004679722 1117808780 /nfs/dbraw/zinc/80/87/80/1117808780.db2.gz MAIQNXMBWDAEFG-UHFFFAOYSA-N 0 0 291.435 3.921 50 0 CHAARN CC(C)Cc1nsc(N[C@@H](C)c2cccc(O)c2)n1 ZINC000185328801 1117811501 /nfs/dbraw/zinc/81/15/01/1117811501.db2.gz KSCLQRDAECDKBK-JTQLQIEISA-N 0 0 277.393 3.615 50 0 CHAARN Cn1cc(-c2nc(CSc3cccs3)cs2)cn1 ZINC000071909998 1117848814 /nfs/dbraw/zinc/84/88/14/1117848814.db2.gz YVDMGRJEHTYKSG-UHFFFAOYSA-N 0 0 293.442 3.897 50 0 CHAARN COc1ccccc1[C@@H](C)SCc1cnc(C)cn1 ZINC000078932001 1118273081 /nfs/dbraw/zinc/27/30/81/1118273081.db2.gz HZQUIPBRQIPJND-GFCCVEGCSA-N 0 0 274.389 3.788 50 0 CHAARN CCc1ccccc1Cc1nc(Cc2ccc(C)nc2)no1 ZINC000289209276 1118284249 /nfs/dbraw/zinc/28/42/49/1118284249.db2.gz VTNMOKXXIPVQQS-UHFFFAOYSA-N 0 0 293.370 3.517 50 0 CHAARN CC(C)(C)Oc1ccccc1NCC[C@H]1CCCO1 ZINC000189650579 1118292229 /nfs/dbraw/zinc/29/22/29/1118292229.db2.gz SBNZHIUQKOMBPG-CYBMUJFWSA-N 0 0 263.381 3.845 50 0 CHAARN CC(C)CCCNC(=O)N[C@H]1CCCc2ccccc21 ZINC000023143656 1118695366 /nfs/dbraw/zinc/69/53/66/1118695366.db2.gz HUMJYMGZBJPOIS-INIZCTEOSA-N 0 0 274.408 3.799 50 0 CHAARN O=C(Cc1cnc2ccccc2c1)N1CCC[C@@H]1C1CCC1 ZINC000130682355 1118726323 /nfs/dbraw/zinc/72/63/23/1118726323.db2.gz OXBSUBYUZOCRTA-GOSISDBHSA-N 0 0 294.398 3.568 50 0 CHAARN CC1(C)CCCN(c2ncnc3c4cc(F)ccc4[nH]c32)C1 ZINC000004812109 1118817822 /nfs/dbraw/zinc/81/78/22/1118817822.db2.gz BKCPOYAPRXVQHI-UHFFFAOYSA-N 0 0 298.365 3.877 50 0 CHAARN CCn1cc(-c2ccc(Cl)cc2)cc1C(=O)N(C)C ZINC000065170446 1118903297 /nfs/dbraw/zinc/90/32/97/1118903297.db2.gz UFOJSOQULRXTGT-UHFFFAOYSA-N 0 0 276.767 3.530 50 0 CHAARN 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/nfs/dbraw/zinc/66/30/17/169663017.db2.gz AFXQIQQKKPSIET-UHFFFAOYSA-N 0 0 286.404 3.609 50 0 CHAARN COc1ccc(-c2ccnn2C(C)C)c2cccnc12 ZINC000426434988 533184856 /nfs/dbraw/zinc/18/48/56/533184856.db2.gz SQDWGVKSZORVDT-UHFFFAOYSA-N 0 0 267.332 3.688 50 0 CHAARN C/C(=C\C(=O)N[C@H](C)c1ccccn1)CCc1ccccc1 ZINC000096188205 256775151 /nfs/dbraw/zinc/77/51/51/256775151.db2.gz UUNVBCNNVHUOLS-UTZKEFOASA-N 0 0 294.398 3.838 50 0 CHAARN CCOc1ccccc1NC(=O)c1cc(F)cc(F)c1 ZINC000007310557 256857716 /nfs/dbraw/zinc/85/77/16/256857716.db2.gz CZLNPVAWOJJTAV-UHFFFAOYSA-N 0 0 277.270 3.616 50 0 CHAARN Cc1ccc([C@@H]2CC(c3ccccc3)=NC(=S)N2)cc1 ZINC000051329822 256877086 /nfs/dbraw/zinc/87/70/86/256877086.db2.gz ZJSGHFOGTUQIKV-INIZCTEOSA-N 0 0 280.396 3.555 50 0 CHAARN CCOC(=O)c1ccc(NC(=O)[C@H](C)c2ccccc2)cc1 ZINC000096318512 256862172 /nfs/dbraw/zinc/86/21/72/256862172.db2.gz DCKHRVCFXAXECL-CYBMUJFWSA-N 0 0 297.354 3.606 50 0 CHAARN Cc1cccc(S(=O)(=O)[C@H](C)c2ccccc2)c1 ZINC000077647132 256862697 /nfs/dbraw/zinc/86/26/97/256862697.db2.gz IPBBMQPGCJQJJH-CYBMUJFWSA-N 0 0 260.358 3.530 50 0 CHAARN CC(C)Cc1sc(Cl)nc1C(=O)Nc1ccccn1 ZINC000096223156 256887979 /nfs/dbraw/zinc/88/79/79/256887979.db2.gz WGDQHHODWCCVOP-UHFFFAOYSA-N 0 0 295.795 3.642 50 0 CHAARN CC(C)Oc1cccc(-c2ccc(NC3CC3)nn2)c1 ZINC000097655443 256890370 /nfs/dbraw/zinc/89/03/70/256890370.db2.gz DYKGXOOSDOLDNP-UHFFFAOYSA-N 0 0 269.348 3.505 50 0 CHAARN Cc1cc(C)n(-c2cc(Cl)nc(-c3ccccc3)n2)n1 ZINC000000826981 169680756 /nfs/dbraw/zinc/68/07/56/169680756.db2.gz KFRDXZFTFVQGDV-UHFFFAOYSA-N 0 0 284.750 3.600 50 0 CHAARN CCOC(=O)c1c2cc(OC)ccc2oc1C(C)(C)C ZINC000000543841 169665313 /nfs/dbraw/zinc/66/53/13/169665313.db2.gz QMXOZJLPVKCCCU-UHFFFAOYSA-N 0 0 276.332 3.916 50 0 biogenic CHAARN S=C(Nc1ccc(Nc2ccccc2)cc1)NC1CC1 ZINC000000542992 169665388 /nfs/dbraw/zinc/66/53/88/169665388.db2.gz LSTHEJDKCHIQIL-UHFFFAOYSA-N 0 0 283.400 3.879 50 0 CHAARN O=C(Nc1ncccc1Cl)c1cc2ccccc2o1 ZINC000000550586 169666757 /nfs/dbraw/zinc/66/67/57/169666757.db2.gz PJKOQNXSUDKEGW-UHFFFAOYSA-N 0 0 272.691 3.734 50 0 CHAARN COc1ccc([C@H](CC(=O)N2CCCCC2)C(C)C)cc1 ZINC000000553247 169667057 /nfs/dbraw/zinc/66/70/57/169667057.db2.gz VRRIARSSIAAHMT-QGZVFWFLSA-N 0 0 289.419 3.837 50 0 CHAARN Cc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c(C)[nH]1 ZINC000000573637 169671416 /nfs/dbraw/zinc/67/14/16/169671416.db2.gz ZYNUYKHEVQVMRH-AWNIVKPZSA-N 0 0 272.735 3.778 50 0 CHAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000000619862 169677009 /nfs/dbraw/zinc/67/70/09/169677009.db2.gz KOLQVCZHFNHUEM-INIZCTEOSA-N 0 0 271.335 3.953 50 0 CHAARN C[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000000795298 169678353 /nfs/dbraw/zinc/67/83/53/169678353.db2.gz CJQHQEGHFYQVSM-GFCCVEGCSA-N 0 0 295.810 3.756 50 0 CHAARN CC[C@H](C(=O)Nc1ccc(C)cn1)c1ccccc1 ZINC000001006304 169685743 /nfs/dbraw/zinc/68/57/43/169685743.db2.gz FEEUMJRMNCKTJH-AWEZNQCLSA-N 0 0 254.333 3.522 50 0 CHAARN C[C@H]1CCC[C@H](C)N1C(=O)/C=C/c1ccc(F)cc1 ZINC000001198750 169691272 /nfs/dbraw/zinc/69/12/72/169691272.db2.gz LSQVROVJGLHLQI-DPGNGVPNSA-N 0 0 261.340 3.628 50 0 CHAARN CC1=C[C@H](C)[C@@]2(CO)CO[C@H](c3ccccc3)[C@@H]1[C@H]2C ZINC000001193622 169691464 /nfs/dbraw/zinc/69/14/64/169691464.db2.gz PLYQNNOXZOYWGG-KVDVXYDOSA-N 0 0 272.388 3.585 50 0 biogenic CHAARN Cc1cc(Br)cc(C)c1NC(=O)c1ccco1 ZINC000001208528 169691954 /nfs/dbraw/zinc/69/19/54/169691954.db2.gz XJRWSONXWMGJLA-UHFFFAOYSA-N 0 0 294.148 3.911 50 0 CHAARN O=C(Cc1cccc(O)c1)N1CCCCC[C@H]1c1ccco1 ZINC000095372509 184956945 /nfs/dbraw/zinc/95/69/45/184956945.db2.gz VBTDCYZCHTYKAJ-INIZCTEOSA-N 0 0 299.370 3.672 50 0 CHAARN O=C(Nc1cccc(OCc2ccncc2)c1)C1=CCCC1 ZINC000095414637 184972735 /nfs/dbraw/zinc/97/27/35/184972735.db2.gz MEBPODQGMIOPMQ-UHFFFAOYSA-N 0 0 294.354 3.709 50 0 CHAARN O=c1c2ccccc2cnn1-c1ccc(Cl)cc1Cl ZINC000001391332 169699358 /nfs/dbraw/zinc/69/93/58/169699358.db2.gz JGJOUVXWWNCONA-UHFFFAOYSA-N 0 0 291.137 3.693 50 0 CHAARN CCNC(=O)Nc1ccc2[nH]c(C(C)(C)C)cc2c1 ZINC000001501415 169710389 /nfs/dbraw/zinc/71/03/89/169710389.db2.gz VEJCVCNEWNAAEE-UHFFFAOYSA-N 0 0 259.353 3.607 50 0 CHAARN CC(C)c1ccc(/C=C/C(=O)NCc2ccncc2)cc1 ZINC000001456904 169707218 /nfs/dbraw/zinc/70/72/18/169707218.db2.gz UGBHKFLFBLSUFR-VMPITWQZSA-N 0 0 280.371 3.535 50 0 CHAARN COc1ccc(Cl)cc1-c1nc2ccccc2c(=O)o1 ZINC000001510047 169710729 /nfs/dbraw/zinc/71/07/29/169710729.db2.gz LRIKHUDKTRYHIN-UHFFFAOYSA-N 0 0 287.702 3.517 50 0 CHAARN C[C@H]1CCN(C(=O)Nc2cccnc2)[C@H](c2ccco2)C1 ZINC000098015839 533617621 /nfs/dbraw/zinc/61/76/21/533617621.db2.gz KMLYUADHQJJIAU-JSGCOSHPSA-N 0 0 285.347 3.680 50 0 CHAARN C[C@H]1CCCN(c2ncnc3sc4c(c32)CCCC4)C1 ZINC000002876391 134641804 /nfs/dbraw/zinc/64/18/04/134641804.db2.gz AHIULJZYUKZWKP-NSHDSACASA-N 0 0 287.432 3.806 50 0 CHAARN c1cc2c(ccnc2N2CCN(c3ccccc3)CC2)s1 ZINC000040151417 134857230 /nfs/dbraw/zinc/85/72/30/134857230.db2.gz QRGKAUPPIIXFEJ-UHFFFAOYSA-N 0 0 295.411 3.623 50 0 CHAARN Cc1oc(C2CCC2)nc1C(=O)N1CCCc2ccccc21 ZINC000065293622 134934971 /nfs/dbraw/zinc/93/49/71/134934971.db2.gz IWNIUBXVYNWNSN-UHFFFAOYSA-N 0 0 296.370 3.844 50 0 CHAARN O=C(C=C1CCCCC1)Nc1cccnc1N1CCCCC1 ZINC000065817111 134938712 /nfs/dbraw/zinc/93/87/12/134938712.db2.gz YXBOEZXIMAGAHQ-UHFFFAOYSA-N 0 0 299.418 3.901 50 0 CHAARN O=C(CCCOc1ccc(Cl)cc1)N1CCCCC1 ZINC000001773843 169756423 /nfs/dbraw/zinc/75/64/23/169756423.db2.gz GZCZNGWMCRHVAA-UHFFFAOYSA-N 0 0 281.783 3.512 50 0 CHAARN Cc1c(Cl)cccc1NC1N=NC(=S)S1 ZINC000001870188 169761678 /nfs/dbraw/zinc/76/16/78/169761678.db2.gz GAKFSVUCXVAFRR-UHFFFAOYSA-N 0 0 257.771 3.532 50 0 CHAARN CCCCC[C@H]1C[C@H](COc2ccccc2)OC1=O ZINC000002116244 169775564 /nfs/dbraw/zinc/77/55/64/169775564.db2.gz HPDUUKCYHLISGS-DZGCQCFKSA-N 0 0 262.349 3.577 50 0 biogenic CHAARN COc1ccc(-c2nnc(-c3ccc(OC)cc3)s2)cc1 ZINC000002385218 169789765 /nfs/dbraw/zinc/78/97/65/169789765.db2.gz DVQXASGKXILAJS-UHFFFAOYSA-N 0 0 298.367 3.889 50 0 CHAARN CC(C)(C)OC(=O)c1ccc(F)c(Br)c1 ZINC000002383973 169789834 /nfs/dbraw/zinc/78/98/34/169789834.db2.gz MUGCZCJMBJFCIX-UHFFFAOYSA-N 0 0 275.117 3.544 50 0 CHAARN COc1ccccc1CCC(=O)c1ccccc1C ZINC000002516441 169799344 /nfs/dbraw/zinc/79/93/44/169799344.db2.gz GFFSRVDDWCEWER-UHFFFAOYSA-N 0 0 254.329 3.819 50 0 CHAARN O=C(CCc1cccc(F)c1)c1ccc(F)cc1F ZINC000002517359 169799778 /nfs/dbraw/zinc/79/97/78/169799778.db2.gz BQTPRXYXSYDSSN-UHFFFAOYSA-N 0 0 264.246 3.919 50 0 CHAARN Cc1ccc(F)cc1C(=O)CCCC1OCC(C)(C)CO1 ZINC000002518113 169800714 /nfs/dbraw/zinc/80/07/14/169800714.db2.gz IIYODZVVRFMPIN-UHFFFAOYSA-N 0 0 294.366 3.886 50 0 CHAARN Fc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nccc3N2)cc1 ZINC000002526595 169802370 /nfs/dbraw/zinc/80/23/70/169802370.db2.gz GSGLBLIAPYQJFC-MNOVXSKESA-N 0 0 285.244 3.683 50 0 CHAARN COC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000002534135 169803931 /nfs/dbraw/zinc/80/39/31/169803931.db2.gz GSULHLQFRMLEEO-UHFFFAOYSA-N 0 0 281.311 3.534 50 0 CHAARN CC(C)(C)c1ccc(C(=O)c2ccccc2N)cc1 ZINC000002539960 169805840 /nfs/dbraw/zinc/80/58/40/169805840.db2.gz GQQPPSHWUMMVBN-UHFFFAOYSA-N 0 0 253.345 3.797 50 0 CHAARN O=Cc1ccccc1OCc1ccc(F)cc1Cl ZINC000002558284 169808664 /nfs/dbraw/zinc/80/86/64/169808664.db2.gz NWRDMOGKYMIICN-UHFFFAOYSA-N 0 0 264.683 3.871 50 0 CHAARN CCCOc1ccc(Cn2c3cc(C)ccc3oc2=O)cc1 ZINC000002699806 169821269 /nfs/dbraw/zinc/82/12/69/169821269.db2.gz GXXGEUCCHBCHLH-UHFFFAOYSA-N 0 0 297.354 3.740 50 0 CHAARN CCOC(=O)c1cc(CC)sc1NC(=O)C1CCCC1 ZINC000002762010 169826662 /nfs/dbraw/zinc/82/66/62/169826662.db2.gz QOXGKJSKBYSIAP-UHFFFAOYSA-N 0 0 295.404 3.616 50 0 CHAARN CCCOc1cccc(NC(=O)c2occc2C)c1 ZINC000003002986 169848963 /nfs/dbraw/zinc/84/89/63/169848963.db2.gz FZVLOKWSENMMSY-UHFFFAOYSA-N 0 0 259.305 3.629 50 0 CHAARN Cc1noc(C)c1C(=O)Nc1cccc(Cl)c1Cl ZINC000003105228 169856494 /nfs/dbraw/zinc/85/64/94/169856494.db2.gz VHPHPJJIZBRUSL-UHFFFAOYSA-N 0 0 285.130 3.851 50 0 CHAARN CCOC(=O)c1cnc2c(Cl)cc(F)cc2c1Cl ZINC000003118803 169857093 /nfs/dbraw/zinc/85/70/93/169857093.db2.gz MOTDWJOCDWDKTH-UHFFFAOYSA-N 0 0 288.105 3.857 50 0 CHAARN CCCCNC(=O)n1c2ccc(Cl)cc2oc1=S ZINC000003117732 169857207 /nfs/dbraw/zinc/85/72/07/169857207.db2.gz OSUZUYGCRNCBMG-UHFFFAOYSA-N 0 0 284.768 3.975 50 0 CHAARN Cc1ccccc1OP(N)(=O)Oc1ccccc1C ZINC000003177042 169865198 /nfs/dbraw/zinc/86/51/98/169865198.db2.gz DCDHMVZIJCDWEX-UHFFFAOYSA-N 0 0 277.260 3.828 50 0 CHAARN COc1ccc(Cl)cc1NC(=O)C1CCCCC1 ZINC000003192517 169867145 /nfs/dbraw/zinc/86/71/45/169867145.db2.gz FUYXOVMQXHFKPG-UHFFFAOYSA-N 0 0 267.756 3.867 50 0 CHAARN Nc1nc(CSc2nc3ccccc3s2)cs1 ZINC000003198019 169867590 /nfs/dbraw/zinc/86/75/90/169867590.db2.gz YLJYAXGGCACYNE-UHFFFAOYSA-N 0 0 279.415 3.627 50 0 CHAARN Cc1ccc(SCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000003233885 169870473 /nfs/dbraw/zinc/87/04/73/169870473.db2.gz CNMARLPEDMIHIJ-ZIAGYGMSSA-N 0 0 277.433 3.877 50 0 CHAARN CSc1ncccc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000003343678 169881048 /nfs/dbraw/zinc/88/10/48/169881048.db2.gz FCDRHMBFYHMNPL-UHFFFAOYSA-N 0 0 296.754 3.848 50 0 CHAARN Cc1ccc(NC(=O)CNc2cccc(C)c2C)c(C)c1 ZINC000003376878 169883714 /nfs/dbraw/zinc/88/37/14/169883714.db2.gz MIUTURATZMRQLU-UHFFFAOYSA-N 0 0 282.387 3.971 50 0 CHAARN O=C(Nc1ccc(F)c(F)c1)c1nc2ccccc2s1 ZINC000003404562 169885331 /nfs/dbraw/zinc/88/53/31/169885331.db2.gz LLMFXYXQNKNCCY-UHFFFAOYSA-N 0 0 290.294 3.827 50 0 CHAARN COc1ccccc1C(=O)Nc1ccc(C)cc1Cl ZINC000003431947 169887288 /nfs/dbraw/zinc/88/72/88/169887288.db2.gz RHBIMHYXZQSGSH-UHFFFAOYSA-N 0 0 275.735 3.909 50 0 CHAARN Cc1ccc(Oc2cc(C(F)(F)F)nc(N(C)C)n2)cc1 ZINC000003469923 169890305 /nfs/dbraw/zinc/89/03/05/169890305.db2.gz HVBFXDGGNGYDDB-UHFFFAOYSA-N 0 0 297.280 3.662 50 0 CHAARN COc1ccc(CCC(=O)Nc2cccc(C)c2)cc1 ZINC000003481221 169891501 /nfs/dbraw/zinc/89/15/01/169891501.db2.gz LNVXQHYZMLYUBY-UHFFFAOYSA-N 0 0 269.344 3.575 50 0 CHAARN CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2C)cc1 ZINC000003504303 169892644 /nfs/dbraw/zinc/89/26/44/169892644.db2.gz HQLXEFCLOHVRGM-CQSZACIVSA-N 0 0 297.354 3.604 50 0 CHAARN 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CHAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NC2CCCCC2)o1 ZINC000040012152 174182501 /nfs/dbraw/zinc/18/25/01/174182501.db2.gz KEDCQPLLXNZWJB-DOMZBBRYSA-N 0 0 275.392 3.785 50 0 CHAARN Clc1cccnc1SCc1nnc(-c2ccco2)o1 ZINC000040051140 174184840 /nfs/dbraw/zinc/18/48/40/174184840.db2.gz AOTFVHKUAWLOMK-UHFFFAOYSA-N 0 0 293.735 3.670 50 0 CHAARN C/C=C/C=C/C(=O)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000040052583 174185844 /nfs/dbraw/zinc/18/58/44/174185844.db2.gz SBEDHMCWYFQCIC-MQQKCMAXSA-N 0 0 285.318 3.834 50 0 CHAARN Cc1cc2cc(NC(=O)Cc3ccccc3F)ccc2[nH]1 ZINC000040072701 174186828 /nfs/dbraw/zinc/18/68/28/174186828.db2.gz KHTKSGWPNXDKLH-UHFFFAOYSA-N 0 0 282.318 3.797 50 0 CHAARN COc1ccc(Cl)cc1NC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000040096186 174190049 /nfs/dbraw/zinc/19/00/49/174190049.db2.gz JWCZPXWBRKOBNO-QWRGUYRKSA-N 0 0 296.798 3.858 50 0 CHAARN Cc1ccc([C@H](C)NC(=O)Nc2cc(C)ccc2F)o1 ZINC000040099197 174190487 /nfs/dbraw/zinc/19/04/87/174190487.db2.gz FJMVPMZTCUCDCJ-NSHDSACASA-N 0 0 276.311 3.918 50 0 CHAARN COc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1Cl ZINC000040098727 174190734 /nfs/dbraw/zinc/19/07/34/174190734.db2.gz JHRBUFWFXJHOOA-GHMZBOCLSA-N 0 0 296.798 3.858 50 0 CHAARN Cc1ccc(CNC(=O)Nc2cccc3ncccc32)cc1 ZINC000040103573 174190777 /nfs/dbraw/zinc/19/07/77/174190777.db2.gz KDVPLHYPUGVMEF-UHFFFAOYSA-N 0 0 291.354 3.865 50 0 CHAARN C[C@@H]1CCCN(C(=O)Nc2cccc3c2CCCC3)C1 ZINC000040098206 174190842 /nfs/dbraw/zinc/19/08/42/174190842.db2.gz VUTICSITXNSDEX-CYBMUJFWSA-N 0 0 272.392 3.829 50 0 CHAARN C[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cccs1 ZINC000040106902 174191169 /nfs/dbraw/zinc/19/11/69/174191169.db2.gz WFWJFYVVLDFSES-NSHDSACASA-N 0 0 293.819 3.691 50 0 CHAARN CCCC(=O)NCc1ccnc(Oc2cc(C)cc(C)c2)c1 ZINC000040107655 174192305 /nfs/dbraw/zinc/19/23/05/174192305.db2.gz FGEKUYZQHWQPQP-UHFFFAOYSA-N 0 0 298.386 3.907 50 0 CHAARN CC(C)Oc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000040122331 174193172 /nfs/dbraw/zinc/19/31/72/174193172.db2.gz YEQFJKWFRLYQBY-CYBMUJFWSA-N 0 0 259.349 3.769 50 0 CHAARN Cc1nc(NC(=O)/C=C/c2c(F)cccc2F)sc1C ZINC000040130480 174194208 /nfs/dbraw/zinc/19/42/08/174194208.db2.gz REKCREVOLAIBPN-VOTSOKGWSA-N 0 0 294.326 3.690 50 0 CHAARN CCCCCN(C(=O)NCc1ccccc1OC)C(C)C ZINC000040150047 174194563 /nfs/dbraw/zinc/19/45/63/174194563.db2.gz KKKNVZMRFHSZST-UHFFFAOYSA-N 0 0 292.423 3.805 50 0 CHAARN CCOc1ccc(NC(=O)CN(CC)c2ccccc2)cc1 ZINC000040160608 174196038 /nfs/dbraw/zinc/19/60/38/174196038.db2.gz LJLCVMBGCCBFRA-UHFFFAOYSA-N 0 0 298.386 3.550 50 0 CHAARN Cc1cc(N(C)Cc2ccco2)nc2ccccc12 ZINC000040160666 174196148 /nfs/dbraw/zinc/19/61/48/174196148.db2.gz QJTXJIIHUZUAFX-UHFFFAOYSA-N 0 0 252.317 3.773 50 0 CHAARN CCCN(Cc1ccccc1)C(=O)Cc1ccccc1C ZINC000040162085 174196157 /nfs/dbraw/zinc/19/61/57/174196157.db2.gz UYPIFTOHKQXNMP-UHFFFAOYSA-N 0 0 281.399 3.976 50 0 CHAARN C/C=C/C=C/C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000040512995 174305378 /nfs/dbraw/zinc/30/53/78/174305378.db2.gz ACBSJPCEPINCBC-YTXTXJHMSA-N 0 0 298.308 3.842 50 0 CHAARN CC(C)OCCCNC(=O)Nc1ccccc1C(C)(C)C ZINC000040526131 174313989 /nfs/dbraw/zinc/31/39/89/174313989.db2.gz DNRGFIZPMFFINP-UHFFFAOYSA-N 0 0 292.423 3.921 50 0 CHAARN C[C@@H](CC(=O)Nc1ccc(CCO)cc1)CC(C)(C)C ZINC000040715242 174382533 /nfs/dbraw/zinc/38/25/33/174382533.db2.gz GBIIWAIAVUFQAA-ZDUSSCGKSA-N 0 0 277.408 3.622 50 0 CHAARN CC[C@H]1CCCN(C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000041638894 174590172 /nfs/dbraw/zinc/59/01/72/174590172.db2.gz AFDVLQDOBGOOOK-ZDUSSCGKSA-N 0 0 274.364 3.543 50 0 CHAARN Cc1ccc(Oc2ccc(Br)cn2)cc1 ZINC000042389336 174705786 /nfs/dbraw/zinc/70/57/86/174705786.db2.gz MWUCAUFWNOCPDR-UHFFFAOYSA-N 0 0 264.122 3.945 50 0 CHAARN Cc1nc(-c2ccc(C)cc2)sc1-c1cc[nH]n1 ZINC000043798966 175106118 /nfs/dbraw/zinc/10/61/18/175106118.db2.gz OWUYIJUAGSAJFL-UHFFFAOYSA-N 0 0 255.346 3.817 50 0 in-vitro CHAARN C[C@H](Cc1ccco1)NC(=O)Nc1ccccc1Cl ZINC000044444264 175176191 /nfs/dbraw/zinc/17/61/91/175176191.db2.gz HYYFYWSVODXGHT-SNVBAGLBSA-N 0 0 278.739 3.686 50 0 CHAARN Cc1cccc(CSCC(=O)NCc2cccs2)c1 ZINC000044570700 175209493 /nfs/dbraw/zinc/20/94/93/175209493.db2.gz BEWDTPWWRNZTHN-UHFFFAOYSA-N 0 0 291.441 3.606 50 0 CHAARN COc1ccccc1C(=O)c1ccccc1C(F)(F)F ZINC000045028457 175293230 /nfs/dbraw/zinc/29/32/30/175293230.db2.gz CFIJAZOGXGZHLR-UHFFFAOYSA-N 0 0 280.245 3.945 50 0 CHAARN Cc1cc(-c2ccc(Br)cc2F)ccn1 ZINC000045028370 175293237 /nfs/dbraw/zinc/29/32/37/175293237.db2.gz RDCSYNWPJDFGIQ-UHFFFAOYSA-N 0 0 266.113 3.959 50 0 CHAARN Cc1cccc(C(=O)c2cccc(Cl)c2Cl)n1 ZINC000045028506 175293261 /nfs/dbraw/zinc/29/32/61/175293261.db2.gz SOVYXGSRYDTWLS-UHFFFAOYSA-N 0 0 266.127 3.928 50 0 CHAARN Cc1ccc(-c2ccc(Br)cc2F)cn1 ZINC000045028369 175293359 /nfs/dbraw/zinc/29/33/59/175293359.db2.gz ZMWSXQWWQYBMRZ-UHFFFAOYSA-N 0 0 266.113 3.959 50 0 CHAARN CCCCOc1ccc(C(=O)c2ncccc2C)cc1 ZINC000045028685 175293671 /nfs/dbraw/zinc/29/36/71/175293671.db2.gz DNMRRFHLHZIENW-UHFFFAOYSA-N 0 0 269.344 3.800 50 0 CHAARN Cc1cccnc1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000045028677 175293797 /nfs/dbraw/zinc/29/37/97/175293797.db2.gz AQTQIOFBEORCDD-UHFFFAOYSA-N 0 0 253.345 3.919 50 0 CHAARN O=C(c1ccc(Cl)nc1)c1cccc(Cl)c1 ZINC000045038715 175295201 /nfs/dbraw/zinc/29/52/01/175295201.db2.gz XTEHBOZQORDTAQ-UHFFFAOYSA-N 0 0 252.100 3.619 50 0 CHAARN C(=C/c1nn2c(nnc2-c2ccccc2)s1)\c1ccco1 ZINC000045208950 175328962 /nfs/dbraw/zinc/32/89/62/175328962.db2.gz VFNYPCFCYTWFBV-CMDGGOBGSA-N 0 0 294.339 3.616 50 0 CHAARN Cc1ccc(NC(=O)COc2cccc3c2CCCC3)cc1 ZINC000045222140 175330768 /nfs/dbraw/zinc/33/07/68/175330768.db2.gz DQKMGYCMGNLFLG-UHFFFAOYSA-N 0 0 295.382 3.891 50 0 CHAARN C[C@@H](c1ccccc1F)N(C)C(=O)c1cccc2cn[nH]c21 ZINC000045395241 175376522 /nfs/dbraw/zinc/37/65/22/175376522.db2.gz WJLKRFKOCOEQQJ-NSHDSACASA-N 0 0 297.333 3.535 50 0 CHAARN CN(Cc1coc(-c2cccc(F)c2)n1)Cc1ccco1 ZINC000045735541 175382561 /nfs/dbraw/zinc/38/25/61/175382561.db2.gz VILWQXBSSNCRSR-UHFFFAOYSA-N 0 0 286.306 3.706 50 0 CHAARN CCN(CC)C(=O)CSc1ccc2ccccc2c1 ZINC000045965624 175389410 /nfs/dbraw/zinc/38/94/10/175389410.db2.gz XJSULGPIUOJCGU-UHFFFAOYSA-N 0 0 273.401 3.800 50 0 CHAARN Cc1cc([C@@H](C)NC(=O)C[C@@H]2C=CCC2)c(C)s1 ZINC000046240553 175395066 /nfs/dbraw/zinc/39/50/66/175395066.db2.gz FMURUWUXIWJIFP-DGCLKSJQSA-N 0 0 263.406 3.898 50 0 CHAARN FC(F)Oc1ccc(Cl)cc1Br ZINC000047203163 175405170 /nfs/dbraw/zinc/40/51/70/175405170.db2.gz XFRGUUPMGQRCGB-UHFFFAOYSA-N 0 0 257.461 3.704 50 0 CHAARN CC(C)c1ccccc1NC(=O)NCc1ccoc1 ZINC000047700212 175412463 /nfs/dbraw/zinc/41/24/63/175412463.db2.gz JDWNWLNBWGAXGQ-UHFFFAOYSA-N 0 0 258.321 3.725 50 0 CHAARN COC(=O)c1ccc([C@@H](C)Sc2nc(C)cs2)o1 ZINC000048331546 175427766 /nfs/dbraw/zinc/42/77/66/175427766.db2.gz YLJXKKUFBBWOOQ-MRVPVSSYSA-N 0 0 283.374 3.684 50 0 CHAARN CCc1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000048413058 175433251 /nfs/dbraw/zinc/43/32/51/175433251.db2.gz NCRFCEWSXUPXCF-QGZVFWFLSA-N 0 0 265.356 3.666 50 0 CHAARN Cn1cc(-c2nc(CSc3ccccc3)cs2)cn1 ZINC000048581821 175438479 /nfs/dbraw/zinc/43/84/79/175438479.db2.gz YYESBKWATAJKBP-UHFFFAOYSA-N 0 0 287.413 3.836 50 0 CHAARN O=C(CCCn1cccc1)Nc1ccccc1Cl ZINC000049030978 175459515 /nfs/dbraw/zinc/45/95/15/175459515.db2.gz PQECAJKYTCQDPM-UHFFFAOYSA-N 0 0 262.740 3.560 50 0 CHAARN O=C(NCCc1ccsc1)c1ccc(-n2cccc2)cc1 ZINC000049511778 175484836 /nfs/dbraw/zinc/48/48/36/175484836.db2.gz HEABFDLGJYCSKI-UHFFFAOYSA-N 0 0 296.395 3.511 50 0 CHAARN O=C(Nc1ccc(Oc2ccncc2)cc1)C1CCC1 ZINC000050490449 175516521 /nfs/dbraw/zinc/51/65/21/175516521.db2.gz KXLKQDIWHQWFLE-UHFFFAOYSA-N 0 0 268.316 3.613 50 0 CHAARN CC(C)c1nccn1Cc1cccc(NC(=O)C2CCC2)c1 ZINC000054011129 175552283 /nfs/dbraw/zinc/55/22/83/175552283.db2.gz HGFJSMZJVYUWSR-UHFFFAOYSA-N 0 0 297.402 3.793 50 0 CHAARN CCCN(Cc1cccc(Cl)c1)C(=O)[C@@H](CC)OC ZINC000055392910 175577946 /nfs/dbraw/zinc/57/79/46/175577946.db2.gz WTDZXJBMWZYVBO-CQSZACIVSA-N 0 0 283.799 3.504 50 0 CHAARN Cc1ccc(NC(=O)CC(C)C)c(OC[C@H]2CCCO2)c1 ZINC000055652801 175581091 /nfs/dbraw/zinc/58/10/91/175581091.db2.gz JHPKRRWTPSTGMJ-CQSZACIVSA-N 0 0 291.391 3.537 50 0 CHAARN Cc1ccc(N[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000057897329 175603348 /nfs/dbraw/zinc/60/33/48/175603348.db2.gz CNXWSYYNTZRFTE-SOUVJXGZSA-N 0 0 274.408 3.585 50 0 CHAARN O=C(Nc1cccc(C(=O)c2ccccc2)c1)C1CCC1 ZINC000058168875 175609429 /nfs/dbraw/zinc/60/94/29/175609429.db2.gz WKZWQNKJVIBEHN-UHFFFAOYSA-N 0 0 279.339 3.656 50 0 CHAARN CCc1noc(C)c1C(=O)Nc1ccc2c(ccn2CC)c1 ZINC000058278729 175615242 /nfs/dbraw/zinc/61/52/42/175615242.db2.gz NNEMFGULEPXGEE-UHFFFAOYSA-N 0 0 297.358 3.772 50 0 CHAARN COc1ccc(Cl)cc1C(=O)Nc1ccnc(Cl)c1 ZINC000058283455 175616495 /nfs/dbraw/zinc/61/64/95/175616495.db2.gz IPDKHPUYEJWQLH-UHFFFAOYSA-N 0 0 297.141 3.649 50 0 CHAARN CCN(CCC(F)(F)F)C(=O)c1ccc(C)c(F)c1 ZINC000058404906 175623006 /nfs/dbraw/zinc/62/30/06/175623006.db2.gz ZNOMRGFTNKTBKZ-UHFFFAOYSA-N 0 0 277.261 3.549 50 0 CHAARN Brc1ccc2c(c1)CN(C1CCCCC1)CO2 ZINC000058481020 175626468 /nfs/dbraw/zinc/62/64/68/175626468.db2.gz JZHLJMNPLQVYBV-UHFFFAOYSA-N 0 0 296.208 3.934 50 0 CHAARN CCCCn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000058612022 175627201 /nfs/dbraw/zinc/62/72/01/175627201.db2.gz LUSQMRBEJOJULY-UHFFFAOYSA-N 0 0 271.147 3.503 50 0 CHAARN O=C(Nc1ccc(OC2CCCC2)cc1)c1cscn1 ZINC000059895921 175634684 /nfs/dbraw/zinc/63/46/84/175634684.db2.gz RNGKWHWALGUHPK-UHFFFAOYSA-N 0 0 288.372 3.717 50 0 CHAARN Cc1ccccc1C(=O)Nc1cc(-c2ccsc2)no1 ZINC000065153149 175701225 /nfs/dbraw/zinc/70/12/25/175701225.db2.gz XRYJLDLJWVTTAN-UHFFFAOYSA-N 0 0 284.340 3.964 50 0 CHAARN Cc1nc2cc(-c3noc(-c4ccsc4)n3)ccc2o1 ZINC000065149569 175701294 /nfs/dbraw/zinc/70/12/94/175701294.db2.gz HMCLKAQTFLFNLF-UHFFFAOYSA-N 0 0 283.312 3.915 50 0 CHAARN Cc1ccsc1-c1c(-c2ccccc2)ncn1CCCO ZINC000065499625 175744144 /nfs/dbraw/zinc/74/41/44/175744144.db2.gz UVYMTZZTUGEEPI-UHFFFAOYSA-N 0 0 298.411 3.969 50 0 CHAARN CCc1cc(-c2ccc3c(c2)OCCO3)ccc1NC(C)=O ZINC000067724042 175786895 /nfs/dbraw/zinc/78/68/95/175786895.db2.gz IQGZVSBTZSJPAY-UHFFFAOYSA-N 0 0 297.354 3.646 50 0 CHAARN Nc1nc(-c2ccc(-c3ccccc3CO)cc2)cs1 ZINC000067771108 175790528 /nfs/dbraw/zinc/79/05/28/175790528.db2.gz XVXFCZLHSMIZOQ-UHFFFAOYSA-N 0 0 282.368 3.552 50 0 CHAARN Cc1ccc(CCCCC(=O)N[C@@H](C)c2ccncc2)cc1 ZINC000069005534 175818058 /nfs/dbraw/zinc/81/80/58/175818058.db2.gz JDCQSTFBGFHZHO-INIZCTEOSA-N 0 0 296.414 3.980 50 0 CHAARN Cc1ccccc1[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000069846337 175857801 /nfs/dbraw/zinc/85/78/01/175857801.db2.gz NXOHNFOZIPDHGG-OAHLLOKOSA-N 0 0 257.377 3.501 50 0 CHAARN Cn1c(C(=O)Nc2cccc3[nH]ccc32)cc2ccccc21 ZINC000070666646 176000295 /nfs/dbraw/zinc/00/02/95/176000295.db2.gz OIMKMYMXJFKRAB-UHFFFAOYSA-N 0 0 289.338 3.912 50 0 biogenic CHAARN Cc1noc([C@H](C)Sc2ccccc2Cl)n1 ZINC000071186311 176060235 /nfs/dbraw/zinc/06/02/35/176060235.db2.gz WSSNTKGPRIWAMD-ZETCQYMHSA-N 0 0 254.742 3.885 50 0 CHAARN CC(C)CC(=O)Nc1ccc2[nH]c(-c3cccnc3)nc2c1 ZINC000071282591 176109221 /nfs/dbraw/zinc/10/92/21/176109221.db2.gz QOYUAYBJJDGWPB-UHFFFAOYSA-N 0 0 294.358 3.610 50 0 CHAARN CC(C)n1ncc2c1NC(=O)C[C@H]2c1ccccc1 ZINC000071283760 176109345 /nfs/dbraw/zinc/10/93/45/176109345.db2.gz BICCTTJZSJGHKE-LBPRGKRZSA-N 0 0 255.321 3.588 50 0 CHAARN Cc1ccsc1[C@@H]1CC(=O)Nc2c1cnn2C(C)C ZINC000071283332 176109392 /nfs/dbraw/zinc/10/93/92/176109392.db2.gz HKIGSWUFLAMKDL-SNVBAGLBSA-N 0 0 275.377 3.958 50 0 CHAARN Cc1cc(C2CCC2)nc(N[C@@H](c2nccn2C)C(C)C)n1 ZINC000071750619 176259403 /nfs/dbraw/zinc/25/94/03/176259403.db2.gz MCWGRWCTIIFCQD-OAHLLOKOSA-N 0 0 299.422 3.595 50 0 CHAARN c1csc(-c2ccnc3nc(-c4ccccc4)nn32)c1 ZINC000071754955 176260918 /nfs/dbraw/zinc/26/09/18/176260918.db2.gz NCHPMVKSFQHWKC-UHFFFAOYSA-N 0 0 278.340 3.520 50 0 CHAARN CC(C)(C)c1nnc(Cl)n1-c1cccc2ncccc21 ZINC000071790768 176262997 /nfs/dbraw/zinc/26/29/97/176262997.db2.gz MHHDKRPVGVDSQQ-UHFFFAOYSA-N 0 0 286.766 3.766 50 0 CHAARN CC(C)c1ccc(N[C@@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC000071822824 176271338 /nfs/dbraw/zinc/27/13/38/176271338.db2.gz CYKRJJUIBDOICP-MRXNPFEDSA-N 0 0 286.350 3.588 50 0 CHAARN COc1ccc(F)cc1CSCc1nnc(C2CC2)o1 ZINC000071862834 176280090 /nfs/dbraw/zinc/28/00/90/176280090.db2.gz JYWYPDUUSZPMDY-UHFFFAOYSA-N 0 0 294.351 3.528 50 0 CHAARN CCC(C)(C)NC(=O)Cc1nc(-c2ccsc2)oc1C ZINC000071862871 176280504 /nfs/dbraw/zinc/28/05/04/176280504.db2.gz BJMGBFVIJGVRQY-UHFFFAOYSA-N 0 0 292.404 3.559 50 0 CHAARN Cc1nccn1CCCC(=O)Nc1ccccc1C(C)(C)C ZINC000071921715 176300995 /nfs/dbraw/zinc/30/09/95/176300995.db2.gz HUXULGRFGOASOV-UHFFFAOYSA-N 0 0 299.418 3.908 50 0 CHAARN Cc1ccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1 ZINC000072115795 176318690 /nfs/dbraw/zinc/31/86/90/176318690.db2.gz OAODCKIVQBZFLT-HNNXBMFYSA-N 0 0 295.386 3.781 50 0 CHAARN C[C@H](CCc1ccco1)Nc1ccc2cc[nH]c2n1 ZINC000072121669 176319966 /nfs/dbraw/zinc/31/99/66/176319966.db2.gz IJNOEVNLAYKYFU-LLVKDONJSA-N 0 0 255.321 3.589 50 0 CHAARN CNc1cc(-c2ccc(C(=O)C3CC3)cc2)c2cc[nH]c2n1 ZINC000072122613 176320034 /nfs/dbraw/zinc/32/00/34/176320034.db2.gz MWIJZNBPKSVZGX-UHFFFAOYSA-N 0 0 291.354 3.864 50 0 CHAARN CC(C)c1nnc(CN(C)[C@@H]2CCCc3ccccc32)o1 ZINC000072167260 176331723 /nfs/dbraw/zinc/33/17/23/176331723.db2.gz CXAMZNIDWITUMN-OAHLLOKOSA-N 0 0 285.391 3.702 50 0 CHAARN O=C(CCc1ccc2ccccc2c1)Nc1ccc(F)cn1 ZINC000072254908 176351132 /nfs/dbraw/zinc/35/11/32/176351132.db2.gz LZCRSIKSEBUGOM-UHFFFAOYSA-N 0 0 294.329 3.945 50 0 CHAARN CCC[C@]1(C)CCCN(C(=O)c2cccc(OC)c2)C1 ZINC000072303839 176365317 /nfs/dbraw/zinc/36/53/17/176365317.db2.gz XHFZBKGORFHODQ-QGZVFWFLSA-N 0 0 275.392 3.738 50 0 CHAARN CC(C)(C)c1ccc(CCC(=O)NCCn2cccc2)cc1 ZINC000072306348 176366407 /nfs/dbraw/zinc/36/64/07/176366407.db2.gz ZMZQHNRNJWRMNQ-UHFFFAOYSA-N 0 0 298.430 3.535 50 0 CHAARN O=C(NCc1ccc(F)cc1Cl)c1ccccc1F ZINC000072331770 176370468 /nfs/dbraw/zinc/37/04/68/176370468.db2.gz MFRYENGYUFHPNZ-UHFFFAOYSA-N 0 0 281.689 3.548 50 0 CHAARN Cc1cccc(CNC(=O)c2cc(F)ccc2Cl)c1 ZINC000072331809 176370536 /nfs/dbraw/zinc/37/05/36/176370536.db2.gz GYLBZTFKXBBCBZ-UHFFFAOYSA-N 0 0 277.726 3.718 50 0 CHAARN CN(Cc1ccccc1)C(=O)c1cc2cc(F)ccc2n1C ZINC000072405532 176397499 /nfs/dbraw/zinc/39/74/99/176397499.db2.gz LBSUHIQBXOBLSB-UHFFFAOYSA-N 0 0 296.345 3.590 50 0 CHAARN Cc1ccc(-c2cc(NC3CCCC3)nc3[nH]ccc32)nn1 ZINC000072411790 176398907 /nfs/dbraw/zinc/39/89/07/176398907.db2.gz JVQBSTDNJZWWCQ-UHFFFAOYSA-N 0 0 293.374 3.683 50 0 CHAARN CC(C)(C)OC(=O)NCc1c[nH]c2ccc(Cl)cc12 ZINC000077024505 177154117 /nfs/dbraw/zinc/15/41/17/177154117.db2.gz DBPLAYJMAOZAHW-UHFFFAOYSA-N 0 0 280.755 3.846 50 0 CHAARN c1cn(CC[C@@H]2CCOC2)c(-c2ccnc3ccccc32)n1 ZINC000077285062 177248736 /nfs/dbraw/zinc/24/87/36/177248736.db2.gz GBGXQUFHBJMAPS-CQSZACIVSA-N 0 0 293.370 3.525 50 0 CHAARN O=C(c1ccc[nH]1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077470433 177271755 /nfs/dbraw/zinc/27/17/55/177271755.db2.gz NDNUNQQANSCVSN-OAHLLOKOSA-N 0 0 272.323 3.521 50 0 CHAARN Cc1ccsc1C(=O)N(C)Cc1cccc2cnccc21 ZINC000077536054 177278647 /nfs/dbraw/zinc/27/86/47/177278647.db2.gz VDRRLHJTVSPATD-UHFFFAOYSA-N 0 0 296.395 3.877 50 0 CHAARN C[C@H](c1ccc(F)cc1)[S@](=O)Cc1ccccc1 ZINC000078556032 177353910 /nfs/dbraw/zinc/35/39/10/177353910.db2.gz NSJIIMDUBQPLSR-XIKOKIGWSA-N 0 0 262.349 3.836 50 0 CHAARN CCC(C)(CC)NC(=O)c1ccc(OC(F)F)cc1 ZINC000078675971 177369891 /nfs/dbraw/zinc/36/98/91/177369891.db2.gz KALPTHFWLZKHSL-UHFFFAOYSA-N 0 0 271.307 3.597 50 0 CHAARN c1cnc2c(c1)cccc2SCCOC[C@@H]1CCCO1 ZINC000078954881 177409520 /nfs/dbraw/zinc/40/95/20/177409520.db2.gz KSRALRWDAWBPDR-AWEZNQCLSA-N 0 0 289.400 3.523 50 0 CHAARN S=C(NCc1ccncc1)Nc1cccc2ccccc21 ZINC000000079511 259998718 /nfs/dbraw/zinc/99/87/18/259998718.db2.gz ZYWZTDOHMKXGOE-UHFFFAOYSA-N 0 0 293.395 3.721 50 0 CHAARN Cc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)CCC2 ZINC000005508033 260018434 /nfs/dbraw/zinc/01/84/34/260018434.db2.gz OVXWQHXXAJTNGV-UHFFFAOYSA-N 0 0 294.350 3.523 50 0 CHAARN CN(Cc1ccsc1)C(=O)N[C@H]1CCc2ccccc21 ZINC000032802494 260145750 /nfs/dbraw/zinc/14/57/50/260145750.db2.gz RWPUADLEIYABJP-HNNXBMFYSA-N 0 0 286.400 3.577 50 0 CHAARN COc1ccccc1NC(=O)[C@@H]1CCCc2ccccc21 ZINC000032755147 260145796 /nfs/dbraw/zinc/14/57/96/260145796.db2.gz MCBMEEMYUODTOS-OAHLLOKOSA-N 0 0 281.355 3.754 50 0 CHAARN Clc1cncnc1Oc1ccc(-c2ccccc2)nc1 ZINC000302790003 261354776 /nfs/dbraw/zinc/35/47/76/261354776.db2.gz XZOJSTIOTWWOIW-UHFFFAOYSA-N 0 0 283.718 3.984 50 0 CHAARN Cc1ccc(NC(=O)C2(c3ccccc3)CC2)c(C)c1O ZINC000177786462 261369115 /nfs/dbraw/zinc/36/91/15/261369115.db2.gz RLDWKDWVPVRJQB-UHFFFAOYSA-N 0 0 281.355 3.679 50 0 CHAARN Cc1cccc(CC(=O)N[C@H](c2ncccc2C)C2CC2)c1 ZINC000534651170 328337256 /nfs/dbraw/zinc/33/72/56/328337256.db2.gz FPDSLIXHDOOOHG-IBGZPJMESA-N 0 0 294.398 3.508 50 0 CHAARN CC(C)[C@@H](NC(=O)N1CCCCCCC1)c1cccnc1 ZINC000534647234 328342765 /nfs/dbraw/zinc/34/27/65/328342765.db2.gz FMYRBWDAXIRBLC-MRXNPFEDSA-N 0 0 289.423 3.754 50 0 CHAARN COc1ccc(Nc2ncnc3sc4c(c32)CCC4)cc1 ZINC000000380276 326791745 /nfs/dbraw/zinc/79/17/45/326791745.db2.gz MNIFWLDFGRJZEU-UHFFFAOYSA-N 0 0 297.383 3.932 50 0 CHAARN CCCCCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000002139022 326796272 /nfs/dbraw/zinc/79/62/72/326796272.db2.gz TWAVLYVFJURUSK-UHFFFAOYSA-N 0 0 285.771 3.876 50 0 CHAARN COc1ccc(C)cc1NC(=O)c1cc(-c2ccco2)on1 ZINC000012944735 326835630 /nfs/dbraw/zinc/83/56/30/326835630.db2.gz QOKUNDUCGJDODL-UHFFFAOYSA-N 0 0 298.298 3.504 50 0 CHAARN CCc1nc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)no1 ZINC000069620467 327100309 /nfs/dbraw/zinc/10/03/09/327100309.db2.gz PWKKHWRZTIRBIV-HNNXBMFYSA-N 0 0 291.370 3.648 50 0 CHAARN CC(C)c1noc(-c2ccc(NC(=O)c3ccco3)cc2)n1 ZINC000069621980 327100372 /nfs/dbraw/zinc/10/03/72/327100372.db2.gz KWVSWHRDKFYDOE-UHFFFAOYSA-N 0 0 297.314 3.705 50 0 CHAARN Cc1ccc(-c2csc(NC(=O)c3ccno3)n2)c(C)c1 ZINC000010253825 329093393 /nfs/dbraw/zinc/09/33/93/329093393.db2.gz ZCTCPQZQLNPXBC-UHFFFAOYSA-N 0 0 299.355 3.667 50 0 CHAARN CCN(CC(C)C)C(=O)c1csc(-c2cccs2)n1 ZINC000032800764 329516434 /nfs/dbraw/zinc/51/64/34/329516434.db2.gz JZVPQTGNMDBKHL-UHFFFAOYSA-N 0 0 294.445 3.990 50 0 CHAARN Cc1ccc(CC(=O)Nc2c(C)cccc2Cl)cn1 ZINC000085296469 330364880 /nfs/dbraw/zinc/36/48/80/330364880.db2.gz UETIGDSOUQHLAL-UHFFFAOYSA-N 0 0 274.751 3.533 50 0 CHAARN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(C)(C)F ZINC000195579196 331178034 /nfs/dbraw/zinc/17/80/34/331178034.db2.gz OVIAQOAXFAIIGW-SNVBAGLBSA-N 0 0 286.416 3.842 50 0 CHAARN CC(C)c1ccc([S@](=O)Cc2ccccn2)cc1 ZINC000195579580 331178167 /nfs/dbraw/zinc/17/81/67/331178167.db2.gz OLRVWZAUKIACNS-GOSISDBHSA-N 0 0 259.374 3.513 50 0 CHAARN C/C=C/C=C\C(=O)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000491226027 332169338 /nfs/dbraw/zinc/16/93/38/332169338.db2.gz VVKCZLVLYXRTGD-XVRQGHLISA-N 0 0 292.382 3.552 50 0 CHAARN FC(F)(F)c1ccc(Br)c2[nH]ccc21 ZINC000044185372 333207801 /nfs/dbraw/zinc/20/78/01/333207801.db2.gz DCIQJRYJGLTTMJ-UHFFFAOYSA-N 0 0 264.044 3.949 50 0 CHAARN CC1(C)CCN1C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000089919480 334353660 /nfs/dbraw/zinc/35/36/60/334353660.db2.gz LTEOTTILNQXNSE-UHFFFAOYSA-N 0 0 280.371 3.737 50 0 CHAARN C[C@@H]1CCN(C(=O)CCc2ccco2)[C@H](c2ccco2)C1 ZINC000096441262 533944909 /nfs/dbraw/zinc/94/49/09/533944909.db2.gz ZGQZSBFWERQWPH-HIFRSBDPSA-N 0 0 287.359 3.805 50 0 CHAARN Cc1c2cc3c(cc2nc2c1COc1ccccc1-2)OCO3 ZINC000007786898 533965331 /nfs/dbraw/zinc/96/53/31/533965331.db2.gz GIXDWDRKQZEHLZ-UHFFFAOYSA-N 0 0 291.306 3.831 50 0 CHAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(Cl)cn1 ZINC000128653103 534058681 /nfs/dbraw/zinc/05/86/81/534058681.db2.gz RCAQXVCEWDQXLV-JTQLQIEISA-N 0 0 292.741 3.707 50 0 CHAARN Cc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)c(C)c1 ZINC000005579209 534212393 /nfs/dbraw/zinc/21/23/93/534212393.db2.gz PWUUQCYODWUULM-UHFFFAOYSA-N 0 0 289.400 3.721 50 0 CHAARN FC(F)(F)c1cc2[nH]c(=S)[nH]c2c(Br)c1 ZINC000000091001 534417506 /nfs/dbraw/zinc/41/75/06/534417506.db2.gz XUDUCQCVVBSDGY-UHFFFAOYSA-N 0 0 297.099 3.633 50 0 CHAARN CCOC1(C(=O)Nc2cnc3ccccc3c2)CCCC1 ZINC000283850760 521634193 /nfs/dbraw/zinc/63/41/93/521634193.db2.gz MJTWPKLUWWHWGP-UHFFFAOYSA-N 0 0 284.359 3.523 50 0 CHAARN CC[C@@H](C(=O)[O-])[N@H+](CC)Cc1ccc2ccccc2c1 ZINC000262373619 521880886 /nfs/dbraw/zinc/88/08/86/521880886.db2.gz KIQQITDHRYRWOK-INIZCTEOSA-N 0 0 271.360 3.525 50 0 CHAARN CC[C@@H](C)[C@@H](N)c1nnc(SCc2cccc(F)c2)o1 ZINC000004310152 522305862 /nfs/dbraw/zinc/30/58/62/522305862.db2.gz GALYNSRAFSHBLM-BXKDBHETSA-N 0 0 295.383 3.547 50 0 CHAARN O=C(Cc1cc(Cl)ccc1Cl)Nc1ccncc1F ZINC000132423447 534696367 /nfs/dbraw/zinc/69/63/67/534696367.db2.gz FCLGBUGEVMWPNG-UHFFFAOYSA-N 0 0 299.132 3.709 50 0 CHAARN CC[C@@H]1CN(C(=O)c2ccoc2)CC[C@@H]1c1ccccc1 ZINC000080451531 523428007 /nfs/dbraw/zinc/42/80/07/523428007.db2.gz KTNIWYCSNYMVNY-PBHICJAKSA-N 0 0 283.371 3.936 50 0 CHAARN O=C(c1ccccc1)c1cc2cc(Cl)ccc2oc1=O ZINC000002952808 534746209 /nfs/dbraw/zinc/74/62/09/534746209.db2.gz OLLGFWQKIPAPII-UHFFFAOYSA-N 0 0 284.698 3.677 50 0 CHAARN C[C@H]1CN(C(=O)Cc2cccs2)[C@H]1c1ccccc1 ZINC000266329791 524486525 /nfs/dbraw/zinc/48/65/25/524486525.db2.gz UURAZPSXEZVCSL-BLLLJJGKSA-N 0 0 271.385 3.510 50 0 CHAARN O=C(NC1CCC(F)(F)CC1)c1ccccc1Cl ZINC000334720086 534792649 /nfs/dbraw/zinc/79/26/49/534792649.db2.gz JKUWJKVKKBEAEA-UHFFFAOYSA-N 0 0 273.710 3.648 50 0 CHAARN Cc1ccccc1NS(=O)(=O)Cc1ccccc1Cl ZINC000006416190 534824486 /nfs/dbraw/zinc/82/44/86/534824486.db2.gz XQIBWWCGTFHVPW-UHFFFAOYSA-N 0 0 295.791 3.590 50 0 CHAARN C[C@H](NC(=O)c1ccccc1Cl)c1cccs1 ZINC000012853140 525239263 /nfs/dbraw/zinc/23/92/63/525239263.db2.gz XFGDFVCNSNAMRR-VIFPVBQESA-N 0 0 265.765 3.893 50 0 CHAARN C[C@@H]1C[C@H]1c1ccc(CNc2ccc(CCO)cc2)o1 ZINC000040737945 525510008 /nfs/dbraw/zinc/51/00/08/525510008.db2.gz OTMRWSOJPJLIHN-MLGOLLRUSA-N 0 0 271.360 3.550 50 0 CHAARN O=C(C1CC1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000048948893 526284558 /nfs/dbraw/zinc/28/45/58/526284558.db2.gz SNTYNEHZSVCDHJ-QGZVFWFLSA-N 0 0 265.356 3.913 50 0 CHAARN CC(C)(C)[C@H]1CCC[C@@H](NC(=O)CC2(O)CCCC2)CC1 ZINC000170602511 526723541 /nfs/dbraw/zinc/72/35/41/526723541.db2.gz QRHXHZVRTTTZBG-LSDHHAIUSA-N 0 0 295.467 3.793 50 0 CHAARN Cc1oc2ccccc2c1CN1CCOC[C@@H]1CC(F)F ZINC000289713192 526786639 /nfs/dbraw/zinc/78/66/39/526786639.db2.gz PAHDKXNLVNIBDY-LBPRGKRZSA-N 0 0 295.329 3.597 50 0 CHAARN Cc1oc2ccccc2c1CN1CCOC[C@H]1CC(F)F ZINC000289713187 526786771 /nfs/dbraw/zinc/78/67/71/526786771.db2.gz PAHDKXNLVNIBDY-GFCCVEGCSA-N 0 0 295.329 3.597 50 0 CHAARN O=C(c1ccccc1Cl)N1CCC[C@H]1c1ccc[nH]1 ZINC000048687243 526801869 /nfs/dbraw/zinc/80/18/69/526801869.db2.gz DEEDDHNGHGKHLO-AWEZNQCLSA-N 0 0 274.751 3.645 50 0 CHAARN O=c1[nH]ccc2ccc(-c3ccc(Cl)s3)cc12 ZINC000067872598 527445987 /nfs/dbraw/zinc/44/59/87/527445987.db2.gz RBKSBAGXOFHLGO-UHFFFAOYSA-N 0 0 261.733 3.910 50 0 CHAARN C/C(=C/c1cc(O)ccc1Br)c1cnccn1 ZINC000126536384 527499284 /nfs/dbraw/zinc/49/92/84/527499284.db2.gz RKXSQNPPLZWZKJ-TWGQIWQCSA-N 0 0 291.148 3.505 50 0 CHAARN C/C(=C/c1ccc(OC(F)F)c(F)c1)c1cnccn1 ZINC000126523410 527500687 /nfs/dbraw/zinc/50/06/87/527500687.db2.gz MUISNIABKGDCED-TWGQIWQCSA-N 0 0 280.249 3.778 50 0 CHAARN C/C=C/C=C\C(=O)N(C)Cc1cc2ccccc2o1 ZINC000096445192 527589713 /nfs/dbraw/zinc/58/97/13/527589713.db2.gz ZESIYVNABIJZAL-STMOGGTPSA-N 0 0 255.317 3.524 50 0 CHAARN CCC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1C ZINC000000471325 528445716 /nfs/dbraw/zinc/44/57/16/528445716.db2.gz AWJFOCMXMJLECW-UHFFFAOYSA-N 0 0 296.370 3.904 50 0 CHAARN CCCc1ccc(OCCCC(=O)NC(C)(C)C)cc1 ZINC000001787201 528624534 /nfs/dbraw/zinc/62/45/34/528624534.db2.gz OFCCZCSBOKQPDI-UHFFFAOYSA-N 0 0 277.408 3.713 50 0 CHAARN CC1(C)CC[C@H]2C[C@@H](NCc3ncc[nH]3)c3cccc1c32 ZINC000335955339 529053327 /nfs/dbraw/zinc/05/33/27/529053327.db2.gz BVVNHXCNFWYHPF-SWLSCSKDSA-N 0 0 281.403 3.799 50 0 CHAARN Fc1ccc(NC(=S)NCc2cccs2)c(F)c1 ZINC000000089109 567817936 /nfs/dbraw/zinc/81/79/36/567817936.db2.gz DURZLBPIPBVNOX-UHFFFAOYSA-N 0 0 284.356 3.513 50 0 CHAARN Cc1cc(Cc2cc(C)c(N)cc2C)c(C)cc1N ZINC000001666820 567840585 /nfs/dbraw/zinc/84/05/85/567840585.db2.gz IHUCOFCWZZXKSE-UHFFFAOYSA-N 0 0 254.377 3.675 50 0 CHAARN O=C(NCc1ccccc1)c1c(Cl)cccc1Cl ZINC000002747126 567848996 /nfs/dbraw/zinc/84/89/96/567848996.db2.gz JENWZSPUNSRLGA-UHFFFAOYSA-N 0 0 280.154 3.923 50 0 CHAARN COc1ccc(C)cc1NC(=O)CCC1CCCC1 ZINC000000433720 567829987 /nfs/dbraw/zinc/82/99/87/567829987.db2.gz FVWKNFHNKCKFNW-UHFFFAOYSA-N 0 0 261.365 3.913 50 0 CHAARN CCC(CC)c1nnc(NC(=O)C2CCCCC2)s1 ZINC000000804705 567835158 /nfs/dbraw/zinc/83/51/58/567835158.db2.gz HVZDFNVNNRRZFB-UHFFFAOYSA-N 0 0 281.425 3.961 50 0 CHAARN CCc1ccccc1NC(=S)N1CCCCCC1 ZINC000013827752 567868146 /nfs/dbraw/zinc/86/81/46/567868146.db2.gz JFNOCHPMEYADCP-UHFFFAOYSA-N 0 0 262.422 3.822 50 0 CHAARN Cc1cc(C(=O)Nc2nc(C(C)C)cs2)c(C)o1 ZINC000032810692 567868930 /nfs/dbraw/zinc/86/89/30/567868930.db2.gz MBYRQKKNRPECJB-UHFFFAOYSA-N 0 0 264.350 3.729 50 0 CHAARN C[C@H]1CC=CC[C@H]1COC(=O)CSC(C)(C)C ZINC000097044009 567903724 /nfs/dbraw/zinc/90/37/24/567903724.db2.gz SIIRQAUZUOXXTO-RYUDHWBXSA-N 0 0 256.411 3.664 50 0 CHAARN Cc1cn2c(nc(=S)nc2-c2ccccc2F)s1 ZINC000000117024 567923073 /nfs/dbraw/zinc/92/30/73/567923073.db2.gz RLJDVMRURPRXCZ-UHFFFAOYSA-N 0 0 277.349 3.635 50 0 CHAARN Brc1ccc2[nH]cc(C[NH+]3CCCCC3)c2c1 ZINC000145064640 567931399 /nfs/dbraw/zinc/93/13/99/567931399.db2.gz MGUTUCDTXIZGTH-UHFFFAOYSA-N 0 0 293.208 3.916 50 0 CHAARN FC(F)(F)c1nc(Cl)c2ccc(Cl)cc2n1 ZINC000034526020 570410509 /nfs/dbraw/zinc/41/05/09/570410509.db2.gz VOLWFALKXYRXFH-UHFFFAOYSA-N 0 0 267.037 3.955 50 0 CHAARN Cc1nc(NC(=O)c2sccc2C2CC2)sc1C ZINC000049376834 570412806 /nfs/dbraw/zinc/41/28/06/570412806.db2.gz SRMVIEVXCYYYBA-UHFFFAOYSA-N 0 0 278.402 3.951 50 0 CHAARN CCc1nnc(CN(Cc2ccc(C)cc2)C2CCCC2)[nH]1 ZINC000240499995 566824798 /nfs/dbraw/zinc/82/47/98/566824798.db2.gz NQDPLLLZUOWDAP-UHFFFAOYSA-N 0 0 298.434 3.620 50 0 CHAARN Cn1ncnc1CNc1cccc(-c2cccc(Cl)c2)c1 ZINC000240551379 566825063 /nfs/dbraw/zinc/82/50/63/566825063.db2.gz GTGOAOHMUBGALC-UHFFFAOYSA-N 0 0 298.777 3.748 50 0 CHAARN Cc1c[nH]c(CN2CCCC[C@H]2c2ccccn2)c(C)c1=O ZINC000253537186 566832940 /nfs/dbraw/zinc/83/29/40/566832940.db2.gz AMUIKTDAKWFELN-KRWDZBQOSA-N 0 0 297.402 3.526 50 0 CHAARN CNc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000001045823 566838582 /nfs/dbraw/zinc/83/85/82/566838582.db2.gz MXSOWZJSEXKTDN-UHFFFAOYSA-N 0 0 271.798 3.526 50 0 CHAARN Cc1ccc(NC(=O)[C@@H](C)Nc2ccccc2C)cc1 ZINC000003292484 566849321 /nfs/dbraw/zinc/84/93/21/566849321.db2.gz ZGCMTPCPBBPSHJ-CQSZACIVSA-N 0 0 268.360 3.743 50 0 CHAARN CCc1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1 ZINC000003473274 566849658 /nfs/dbraw/zinc/84/96/58/566849658.db2.gz KFRAGMBOSGXTFZ-UHFFFAOYSA-N 0 0 285.343 3.519 50 0 CHAARN Cc1cc2cc(CNC(=O)/C=C\c3ccccc3)ccc2[nH]1 ZINC000015357147 566856456 /nfs/dbraw/zinc/85/64/56/566856456.db2.gz IUSDXEYQFMJRLG-NTMALXAHSA-N 0 0 290.366 3.806 50 0 CHAARN CCCCN(C(=O)c1ccncc1)c1ccccc1 ZINC000078230487 566857295 /nfs/dbraw/zinc/85/72/95/566857295.db2.gz ZFIAUCVCRILALZ-UHFFFAOYSA-N 0 0 254.333 3.529 50 0 CHAARN C[C@H]1CCc2nc(NC(=O)Cc3cccs3)sc2C1 ZINC000001267349 566860665 /nfs/dbraw/zinc/86/06/65/566860665.db2.gz KQPCZFONEGBNHT-VIFPVBQESA-N 0 0 292.429 3.511 50 0 CHAARN CON(C)C(=O)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000025715151 566860741 /nfs/dbraw/zinc/86/07/41/566860741.db2.gz SBTYESUTYMBVET-UHFFFAOYSA-N 0 0 290.388 3.567 50 0 CHAARN COc1cccc([C@@H](C)SC2=NCCS2)c1 ZINC000083595033 566863732 /nfs/dbraw/zinc/86/37/32/566863732.db2.gz ILNFSHNTKNYFOH-SECBINFHSA-N 0 0 253.392 3.592 50 0 CHAARN Cc1ccccc1OCCCC(=O)Nc1cccc(F)c1 ZINC000012728206 566864999 /nfs/dbraw/zinc/86/49/99/566864999.db2.gz OQUZUFFDGUGDNY-UHFFFAOYSA-N 0 0 287.334 3.932 50 0 CHAARN CC(=O)c1ccc(N(C)C)cc1OCc1ccccc1F ZINC000083843750 566865359 /nfs/dbraw/zinc/86/53/59/566865359.db2.gz BPWZCBFVHDEFSS-UHFFFAOYSA-N 0 0 287.334 3.673 50 0 CHAARN CCn1ccnc1CNc1cc(C2CCCCCC2)[nH]n1 ZINC000083843635 566865633 /nfs/dbraw/zinc/86/56/33/566865633.db2.gz AVRRFWYDCDHTJH-UHFFFAOYSA-N 0 0 287.411 3.676 50 0 CHAARN Cc1cc(C(=O)OCc2nc3ccccc3s2)c(C)o1 ZINC000004163841 566865656 /nfs/dbraw/zinc/86/56/56/566865656.db2.gz AYQRWVLKIAMNON-UHFFFAOYSA-N 0 0 287.340 3.863 50 0 CHAARN CSc1nccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000001392009 566869097 /nfs/dbraw/zinc/86/90/97/566869097.db2.gz SMPKBOBRXYCJHC-UHFFFAOYSA-N 0 0 293.701 3.661 50 0 CHAARN Cc1nn(-c2nc(-c3ccccc3)cs2)c(C)c1C ZINC000001393581 566870065 /nfs/dbraw/zinc/87/00/65/566870065.db2.gz RRSQAIYFAGHUAM-UHFFFAOYSA-N 0 0 269.373 3.921 50 0 CHAARN COc1ccc(-c2nc(S[C@H]3C=CCCC3)n[nH]2)cc1 ZINC000083950110 566872032 /nfs/dbraw/zinc/87/20/32/566872032.db2.gz XQRDDTPZVCWRPH-ZDUSSCGKSA-N 0 0 287.388 3.681 50 0 CHAARN COc1ccccc1-c1noc([C@@H]2C[C@@H]2c2ccco2)n1 ZINC000083982731 566874107 /nfs/dbraw/zinc/87/41/07/566874107.db2.gz DKDOCGMDSKVVOE-NWDGAFQWSA-N 0 0 282.299 3.609 50 0 CHAARN CCSc1ncnc2c1c(C)c(C)n2Cc1ccco1 ZINC000016623435 566874443 /nfs/dbraw/zinc/87/44/43/566874443.db2.gz XHOSXEOCINOWKD-UHFFFAOYSA-N 0 0 287.388 3.801 50 0 CHAARN COc1ccccc1CNc1ncnc2cc(Cl)ccc21 ZINC000001405675 566874901 /nfs/dbraw/zinc/87/49/01/566874901.db2.gz AVFORMQVVOKGEA-UHFFFAOYSA-N 0 0 299.761 3.904 50 0 CHAARN COc1cccc2c(NC(=O)c3ccccc3)cc(C)nc12 ZINC000016652095 566877589 /nfs/dbraw/zinc/87/75/89/566877589.db2.gz HOQCCWBQSBIWGJ-UHFFFAOYSA-N 0 0 292.338 3.804 50 0 CHAARN CSc1ccc(C(=O)N(CC(C)C)C2CC2)cc1 ZINC000084510936 566881348 /nfs/dbraw/zinc/88/13/48/566881348.db2.gz UQGFNSIKLHGCEP-UHFFFAOYSA-N 0 0 263.406 3.669 50 0 CHAARN Cc1cnc(NC(=O)Cc2ccc3ccccc3c2)s1 ZINC000012768088 566881509 /nfs/dbraw/zinc/88/15/09/566881509.db2.gz OBKPYSRZHCLYDJ-UHFFFAOYSA-N 0 0 282.368 3.786 50 0 CHAARN CC(C)CCC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl ZINC000084510128 566882041 /nfs/dbraw/zinc/88/20/41/566882041.db2.gz KMVLOOXXHJYPCY-GXTWGEPZSA-N 0 0 265.784 3.748 50 0 CHAARN Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000012765965 566882954 /nfs/dbraw/zinc/88/29/54/566882954.db2.gz BYVFVGKOOHCHIC-NSHDSACASA-N 0 0 275.298 3.764 50 0 CHAARN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccon2)o1 ZINC000121040076 566886500 /nfs/dbraw/zinc/88/65/00/566886500.db2.gz TZYBRCHYEXBKDC-CMPLNLGQSA-N 0 0 289.335 3.581 50 0 CHAARN O=C(NCc1ccccc1)N[C@H](c1ccccc1)C1CC1 ZINC000012783682 566887134 /nfs/dbraw/zinc/88/71/34/566887134.db2.gz SOSZDQRUMWLKQQ-QGZVFWFLSA-N 0 0 280.371 3.637 50 0 CHAARN CC[C@H]1CC[C@@H](C(=O)Nc2ccc(SC)c(Cl)c2)O1 ZINC000084735456 566887690 /nfs/dbraw/zinc/88/76/90/566887690.db2.gz LOZZKPFOIOPMNN-JQWIXIFHSA-N 0 0 299.823 3.958 50 0 CHAARN COc1nc(C(F)(F)F)ccc1-c1ccc(F)cc1 ZINC000047204815 566889576 /nfs/dbraw/zinc/88/95/76/566889576.db2.gz KTIXYKCNXBZODN-UHFFFAOYSA-N 0 0 271.213 3.915 50 0 CHAARN FC(F)(F)c1cnc(-c2ccncc2)c(Cl)c1 ZINC000047212651 566890055 /nfs/dbraw/zinc/89/00/55/566890055.db2.gz BAEOPRBJOZQNQF-UHFFFAOYSA-N 0 0 258.630 3.816 50 0 CHAARN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(C)cc1 ZINC000011636836 566892278 /nfs/dbraw/zinc/89/22/78/566892278.db2.gz WSNWGKWQJIXHSV-QGZVFWFLSA-N 0 0 299.370 3.800 50 0 CHAARN COc1cccc2c(C)cc(S[C@@H](C)C(C)=O)nc12 ZINC000011907528 566892676 /nfs/dbraw/zinc/89/26/76/566892676.db2.gz LKIFWCZHTBJDEW-NSHDSACASA-N 0 0 275.373 3.621 50 0 CHAARN CN(C(=O)c1ccccc1F)c1nc2ccccc2s1 ZINC000012812528 566893327 /nfs/dbraw/zinc/89/33/27/566893327.db2.gz HBBRTNXEEORURA-UHFFFAOYSA-N 0 0 286.331 3.712 50 0 CHAARN Cc1ccc(C(C)C)cc1OCCN1C[C@@H](C)O[C@H](C)C1 ZINC000020167004 566904658 /nfs/dbraw/zinc/90/46/58/566904658.db2.gz CLJAWXKAMZIUMV-HZPDHXFCSA-N 0 0 291.435 3.606 50 0 CHAARN CC(=O)OC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000000400404 566909179 /nfs/dbraw/zinc/90/91/79/566909179.db2.gz ZZRBJKCHMGEJLC-MDAWKPQNSA-N 0 0 278.351 3.847 50 0 CHAARN CN(C(=O)CC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000000409917 566909758 /nfs/dbraw/zinc/90/97/58/566909758.db2.gz QVEBOTYSBUHWHA-UHFFFAOYSA-N 0 0 287.746 3.576 50 0 CHAARN COc1ccc(C(=O)Nc2cccc(C)c2)cc1Cl ZINC000004541797 566910025 /nfs/dbraw/zinc/91/00/25/566910025.db2.gz GZWQVOGFYZTXLJ-UHFFFAOYSA-N 0 0 275.735 3.909 50 0 CHAARN CCCCCC[C@H](C)S(=O)(=O)N(C)c1ccccc1 ZINC000003137102 566910041 /nfs/dbraw/zinc/91/00/41/566910041.db2.gz LZWJSZRQEVHSAB-AWEZNQCLSA-N 0 0 283.437 3.812 50 0 CHAARN CC(C)NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000004542694 566912527 /nfs/dbraw/zinc/91/25/27/566912527.db2.gz ACKWVASVFBTRST-UHFFFAOYSA-N 0 0 263.724 3.738 50 0 CHAARN Cc1ccc2cc3c(nc2c1)N(C(=O)c1cccs1)CC3 ZINC000015841910 566924664 /nfs/dbraw/zinc/92/46/64/566924664.db2.gz OWZBQDBQZNRJJY-UHFFFAOYSA-N 0 0 294.379 3.808 50 0 CHAARN CCOc1cc2c(cc1NC(=O)CC(C)(C)C)O[C@H](C)C2 ZINC000012910012 566926949 /nfs/dbraw/zinc/92/69/49/566926949.db2.gz JPYBCZXYKCGTDJ-LLVKDONJSA-N 0 0 291.391 3.783 50 0 CHAARN Cc1cc(NC(=O)CCS[C@@H](C)c2ccccc2)no1 ZINC000012919285 566928022 /nfs/dbraw/zinc/92/80/22/566928022.db2.gz NSBWNRPACHQBLY-LBPRGKRZSA-N 0 0 290.388 3.806 50 0 CHAARN Cc1cscc1C(=O)Nc1ccc2c(c1)NCCC2 ZINC000094248343 566929914 /nfs/dbraw/zinc/92/99/14/566929914.db2.gz AFEDTIJLYGKWOE-UHFFFAOYSA-N 0 0 272.373 3.667 50 0 CHAARN Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)c(C)o1 ZINC000012931583 566930774 /nfs/dbraw/zinc/93/07/74/566930774.db2.gz SUXMKMYFCMWORK-VXGBXAGGSA-N 0 0 289.297 3.747 50 0 CHAARN CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)s1 ZINC000012921929 566931135 /nfs/dbraw/zinc/93/11/35/566931135.db2.gz CKHKJOSJHYSLQP-CQSZACIVSA-N 0 0 299.395 3.928 50 0 CHAARN O=C(Nn1cccc1)c1ccc(Oc2ccccc2)cc1 ZINC000075107542 566935218 /nfs/dbraw/zinc/93/52/18/566935218.db2.gz IHIIAMVQFWSFLW-UHFFFAOYSA-N 0 0 278.311 3.664 50 0 CHAARN CC(C)C[C@H](C)OCCC(=O)Nc1ccccc1N(C)C ZINC000075110794 566936754 /nfs/dbraw/zinc/93/67/54/566936754.db2.gz CWFZKCSYRXOHIT-AWEZNQCLSA-N 0 0 292.423 3.532 50 0 CHAARN COC(=O)[C@H]1[C@H](c2ccccc2)c2ccccc2[C@H]1C ZINC000075260412 566937226 /nfs/dbraw/zinc/93/72/26/566937226.db2.gz SETNZZXPIQEVCT-CSMYWGQOSA-N 0 0 266.340 3.725 50 0 CHAARN O=C(c1ccccc1F)N1CCC(c2ccsc2)CC1 ZINC000075157100 566937826 /nfs/dbraw/zinc/93/78/26/566937826.db2.gz PEIWJIMDVOLXPI-UHFFFAOYSA-N 0 0 289.375 3.907 50 0 CHAARN O[C@@H]1c2ccccc2Sc2ccc(Cl)cc2[C@H]1O ZINC000075245337 566937978 /nfs/dbraw/zinc/93/79/78/566937978.db2.gz ZFSPKQPGIWUGPD-ZIAGYGMSSA-N 0 0 278.760 3.572 50 0 CHAARN COc1cc(CNc2ncnc3ccccc32)ccc1C ZINC000053583022 566943332 /nfs/dbraw/zinc/94/33/32/566943332.db2.gz SIOAZHBVQLZWDF-UHFFFAOYSA-N 0 0 279.343 3.559 50 0 CHAARN CCOC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000001668420 566944458 /nfs/dbraw/zinc/94/44/58/566944458.db2.gz BLWBDENLMKYRDT-UHFFFAOYSA-N 0 0 269.344 3.845 50 0 CHAARN Cc1nc2cc(Cl)ccc2nc1C(=O)Nc1ccccc1 ZINC000000408456 566945714 /nfs/dbraw/zinc/94/57/14/566945714.db2.gz IPWPGFMTNJQJOF-UHFFFAOYSA-N 0 0 297.745 3.844 50 0 CHAARN O=C(NCc1ccc(-c2ccco2)o1)Nc1cccs1 ZINC000575609802 566945996 /nfs/dbraw/zinc/94/59/96/566945996.db2.gz HIUUGASLKRXNND-UHFFFAOYSA-N 0 0 288.328 3.923 50 0 CHAARN Cc1cc(C(=O)NCc2ccc(-c3ccoc3)o2)c(C)o1 ZINC000575611888 566946186 /nfs/dbraw/zinc/94/61/86/566946186.db2.gz ZRWOHKICJDLBMM-UHFFFAOYSA-N 0 0 285.299 3.679 50 0 CHAARN C/C=C/C=C/C(=O)Nc1nc(C)c(-c2ccccn2)s1 ZINC000030937944 566954418 /nfs/dbraw/zinc/95/44/18/566954418.db2.gz MVVSOKOTDQIDCL-PRKJJMSOSA-N 0 0 285.372 3.584 50 0 CHAARN Cc1ccoc1C(=O)Nc1ccc(O)c2ccccc12 ZINC000012983394 566954749 /nfs/dbraw/zinc/95/47/49/566954749.db2.gz SEGBSXVMOPHBSI-UHFFFAOYSA-N 0 0 267.284 3.699 50 0 CHAARN Cc1cc(NC(=O)NCC2(c3ccccc3)CCCC2)no1 ZINC000012996897 566955355 /nfs/dbraw/zinc/95/53/55/566955355.db2.gz JHZBQBKGLJKIQX-UHFFFAOYSA-N 0 0 299.374 3.617 50 0 CHAARN Cc1nc2ccc(C(=O)NC3CCC(C)CC3)cc2nc1C ZINC000013011842 566958625 /nfs/dbraw/zinc/95/86/25/566958625.db2.gz IZZQWMSETMMUIL-UHFFFAOYSA-N 0 0 297.402 3.555 50 0 CHAARN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000003869898 566960578 /nfs/dbraw/zinc/96/05/78/566960578.db2.gz DNXHEGUUPJUMQT-CVYDXHPNSA-N 0 0 270.372 3.817 50 0 in-man CHAARN C[C@]12CC[C@H]1C[C@H]2OC(=O)COc1ccc2ccccc2c1 ZINC000245253563 566969416 /nfs/dbraw/zinc/96/94/16/566969416.db2.gz HPGCVSXJEMUUBG-WDYCEAGBSA-N 0 0 296.366 3.950 50 0 CHAARN CC[C@H](C)NC(=O)CCc1ccc2c(ccn2CC)c1 ZINC000075550624 566970210 /nfs/dbraw/zinc/97/02/10/566970210.db2.gz WYSWHDLZJZAOET-ZDUSSCGKSA-N 0 0 272.392 3.509 50 0 CHAARN Cc1cc(C(=O)NCC(C)C)c2cccc(Cl)c2n1 ZINC000064553199 566982488 /nfs/dbraw/zinc/98/24/88/566982488.db2.gz NRWPKHGQAGOURT-UHFFFAOYSA-N 0 0 276.767 3.582 50 0 CHAARN COCCC1(CNC(=O)Nc2ccccc2Cl)CCC1 ZINC000089410126 566973528 /nfs/dbraw/zinc/97/35/28/566973528.db2.gz UMOYCUJMAHZBTL-UHFFFAOYSA-N 0 0 296.798 3.668 50 0 CHAARN Cc1coc2c1c(C)cc1oc(=O)c3c(c21)CCC3 ZINC000000407232 566974673 /nfs/dbraw/zinc/97/46/73/566974673.db2.gz MEDBZLODHWAXID-UHFFFAOYSA-N 0 0 254.285 3.645 50 0 biogenic CHAARN C[C@H]1CCC[C@@H](OCc2nnc(Cc3cccs3)o2)C1 ZINC000521393900 566976133 /nfs/dbraw/zinc/97/61/33/566976133.db2.gz RLUWRFXWQFGRQS-NWDGAFQWSA-N 0 0 292.404 3.817 50 0 CHAARN Cc1ccc(-c2nnc(CO[C@H]3CCC[C@@H](C)C3)o2)o1 ZINC000521393915 566977686 /nfs/dbraw/zinc/97/76/86/566977686.db2.gz DUIRTUCVOALGLO-PWSUYJOCSA-N 0 0 276.336 3.733 50 0 CHAARN Cc1ccc(C)c(N(C)Cc2nnc(-c3ccccc3)o2)c1 ZINC000054273201 566979259 /nfs/dbraw/zinc/97/92/59/566979259.db2.gz KNLAOIFXMNKLEY-UHFFFAOYSA-N 0 0 293.370 3.990 50 0 CHAARN Cc1onc(-c2cccnc2)c1C(=O)Nc1ccccc1C ZINC000064472061 566979680 /nfs/dbraw/zinc/97/96/80/566979680.db2.gz RYLIJPDLWMNOQM-UHFFFAOYSA-N 0 0 293.326 3.606 50 0 CHAARN Cn1c(SCc2cccc(F)c2)nnc1-c1ccco1 ZINC000000530866 566981673 /nfs/dbraw/zinc/98/16/73/566981673.db2.gz VQHGLKWVUWYMAF-UHFFFAOYSA-N 0 0 289.335 3.507 50 0 CHAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCSCC1 ZINC000064553618 566982600 /nfs/dbraw/zinc/98/26/00/566982600.db2.gz WMTWODCMOXUNCU-UHFFFAOYSA-N 0 0 288.416 3.507 50 0 CHAARN CC(C)c1cc([C@@H]2CCCN2C(=O)C2CCCC2)no1 ZINC000064555509 566982792 /nfs/dbraw/zinc/98/27/92/566982792.db2.gz QOKZUSOBZLYLTI-AWEZNQCLSA-N 0 0 276.380 3.652 50 0 CHAARN CCOCCOc1ccc(Br)cc1Cl ZINC000138196954 566982986 /nfs/dbraw/zinc/98/29/86/566982986.db2.gz JEYGIMZWNABSOT-UHFFFAOYSA-N 0 0 279.561 3.518 50 0 CHAARN COc1ccc(-c2nc3cc(C)ccc3cc2CO)cc1F ZINC000426478892 566987335 /nfs/dbraw/zinc/98/73/35/566987335.db2.gz KNEHUQOTRDBOKA-UHFFFAOYSA-N 0 0 297.329 3.850 50 0 CHAARN Cc1c(C(=O)N(C/C=C/c2ccccc2)C2CC2)ccn1C ZINC000426598892 566989161 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C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2O ZINC000253527901 567047792 /nfs/dbraw/zinc/04/77/92/567047792.db2.gz QADHLRWLCPCEKT-XDQBVRMPSA-N 0 0 290.447 3.671 50 0 CHAARN CCCOC(=O)c1ccc(OC(=O)c2ccccc2C)cc1 ZINC000002505842 567056590 /nfs/dbraw/zinc/05/65/90/567056590.db2.gz MOAJXCIMOYPYAK-UHFFFAOYSA-N 0 0 298.338 3.781 50 0 CHAARN CC(C)C[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000003366301 567058401 /nfs/dbraw/zinc/05/84/01/567058401.db2.gz TXXJXDBUTOLODT-SNVBAGLBSA-N 0 0 273.298 3.870 50 0 CHAARN COCc1cccc(CNc2ncnc3c(F)cccc23)c1 ZINC000252482982 567058654 /nfs/dbraw/zinc/05/86/54/567058654.db2.gz DRQVXMMSOMJYOO-UHFFFAOYSA-N 0 0 297.333 3.527 50 0 CHAARN Cc1nc2ccccc2nc1CN(C#N)c1ccc(F)cc1 ZINC000252485600 567058680 /nfs/dbraw/zinc/05/86/80/567058680.db2.gz GZYOQMZDYYSCCE-UHFFFAOYSA-N 0 0 292.317 3.565 50 0 CHAARN O=C(NCCCCCOC1CCCCC1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000252511004 567060719 /nfs/dbraw/zinc/06/07/19/567060719.db2.gz CVJCDZVSYRHUJG-FVQHAEBGSA-N 0 0 293.451 3.668 50 0 CHAARN C[C@@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N[C@@H]1CC[C@@H](C)CC1 ZINC000252515372 567062725 /nfs/dbraw/zinc/06/27/25/567062725.db2.gz JBDXAQWWLGXLLM-QCODTGAPSA-N 0 0 281.440 3.665 50 0 CHAARN CN1CCC/C1=C1/C=Nc2ccc(Br)cc21 ZINC000101922057 567074585 /nfs/dbraw/zinc/07/45/85/567074585.db2.gz RLOQVYOHVPFHFT-ACCUITESSA-N 0 0 277.165 3.602 50 0 CHAARN C[C@]12CC[C@H](O)[C@@H]1[C@@H]1CC[C@H]3CCCC[C@]3(C)[C@H]1C[C@@H]2O ZINC000036370837 567088707 /nfs/dbraw/zinc/08/87/07/567088707.db2.gz UMFJXEJVAKBCPM-WLLVXSAASA-N 0 0 292.463 3.751 50 0 CHAARN C[C@]12CC=C3C4=C(CC[C@@H]3[C@@H]1CCC2=O)CC(=O)CC4 ZINC000039336244 567089074 /nfs/dbraw/zinc/08/90/74/567089074.db2.gz REHQUZZHQLORLC-BQFCYCMXSA-N 0 0 270.372 3.762 50 0 CHAARN C[C@@H](NC(=O)c1cncs1)c1ccc2c(c1)CCCC2 ZINC000009256088 567089335 /nfs/dbraw/zinc/08/93/35/567089335.db2.gz DXPXRKJTUBPCLQ-LLVKDONJSA-N 0 0 286.400 3.513 50 0 CHAARN O=C1CCC[C@@H]2[C@@H]1CCC[C@]2(O)CCc1ccccc1 ZINC000141147017 567093502 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567833936 /nfs/dbraw/zinc/83/39/36/567833936.db2.gz FBOBCUZXTZGRQW-UHFFFAOYSA-N 0 0 296.779 3.732 50 0 CHAARN O=C(/C=C/c1ccccc1Cl)N1CCc2ccccc21 ZINC000000579352 567834055 /nfs/dbraw/zinc/83/40/55/567834055.db2.gz UVGYLKSCKXSMSM-MDZDMXLPSA-N 0 0 283.758 3.943 50 0 CHAARN CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000000577331 567834167 /nfs/dbraw/zinc/83/41/67/567834167.db2.gz IXAOBVXPTKIAED-UHFFFAOYSA-N 0 0 297.379 3.665 50 0 CHAARN Clc1ccc(Nc2nc(-c3ccncc3)cs2)nc1 ZINC000000613108 567834189 /nfs/dbraw/zinc/83/41/89/567834189.db2.gz LWISJGQYFFFIIN-UHFFFAOYSA-N 0 0 288.763 3.997 50 0 CHAARN C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(Cl)cc1 ZINC000000616532 567834219 /nfs/dbraw/zinc/83/42/19/567834219.db2.gz RMNMEGDZHZQXBZ-SNVBAGLBSA-N 0 0 292.791 3.854 50 0 CHAARN Cc1cccnc1Nc1nc(-c2cccnc2)cs1 ZINC000000613425 567834352 /nfs/dbraw/zinc/83/43/52/567834352.db2.gz OPHSVDBEADSZFU-UHFFFAOYSA-N 0 0 268.345 3.652 50 0 CHAARN CCCC(CCC)C(=O)Nc1ccc2c(c1)OCO2 ZINC000000621071 567834616 /nfs/dbraw/zinc/83/46/16/567834616.db2.gz YNPBLENJPPGSBO-UHFFFAOYSA-N 0 0 263.337 3.570 50 0 CHAARN Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)no2)cc1 ZINC000000815077 567834896 /nfs/dbraw/zinc/83/48/96/567834896.db2.gz ONKNHKFXMQAULV-UHFFFAOYSA-N 0 0 284.359 3.522 50 0 CHAARN CC1C[C@H](C)N(C(=O)c2cc(-c3ccccc3)on2)[C@@H](C)C1 ZINC000000815050 567834898 /nfs/dbraw/zinc/83/48/98/567834898.db2.gz CITMQXUHLUOKSO-KBPBESRZSA-N 0 0 298.386 3.991 50 0 CHAARN Clc1ccc(CNCc2ccco2)c(Cl)c1 ZINC000000807671 567835016 /nfs/dbraw/zinc/83/50/16/567835016.db2.gz CVFILWUATHTGTH-UHFFFAOYSA-N 0 0 256.132 3.876 50 0 CHAARN O=C(Cc1noc2ccccc12)Nc1ccccc1Cl ZINC000001018166 567835781 /nfs/dbraw/zinc/83/57/81/567835781.db2.gz BNWZTOQDXSUCLS-UHFFFAOYSA-N 0 0 286.718 3.662 50 0 CHAARN O=C(Cc1noc2ccccc12)Nc1ccc(Cl)cc1 ZINC000001018165 567835820 /nfs/dbraw/zinc/83/58/20/567835820.db2.gz FWAHBBQYZNRCPK-UHFFFAOYSA-N 0 0 286.718 3.662 50 0 CHAARN O=C(N/C=C/c1ccccc1)NCc1ccc(Cl)cc1 ZINC000001388857 567836803 /nfs/dbraw/zinc/83/68/03/567836803.db2.gz XKOIGPNWWVCRSB-ZHACJKMWSA-N 0 0 286.762 3.810 50 0 CHAARN CC1=NN(C(=O)CCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000001443649 567837132 /nfs/dbraw/zinc/83/71/32/567837132.db2.gz RPKXMRBSVLTEJJ-GOSISDBHSA-N 0 0 292.382 3.969 50 0 CHAARN Cc1ccc(C2=NNC(=O)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000001397833 567837289 /nfs/dbraw/zinc/83/72/89/567837289.db2.gz ZOFIHPIYIHANKX-OAHLLOKOSA-N 0 0 298.773 3.656 50 0 CHAARN CNc1ncc(C(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000001399948 567837410 /nfs/dbraw/zinc/83/74/10/567837410.db2.gz XJMMGQRRJYYUJB-UHFFFAOYSA-N 0 0 287.171 3.723 50 0 CHAARN O=C(OCc1cncs1)c1ccc(C(F)(F)F)cc1 ZINC000001403723 567837421 /nfs/dbraw/zinc/83/74/21/567837421.db2.gz WCXLSFSOWNKJGL-UHFFFAOYSA-N 0 0 287.262 3.519 50 0 CHAARN COc1cccc(NC(=O)CCCOc2ccc(C)cc2)c1 ZINC000001773326 567843519 /nfs/dbraw/zinc/84/35/19/567843519.db2.gz FQFKKBBVUAMFNA-UHFFFAOYSA-N 0 0 299.370 3.801 50 0 CHAARN Cc1cc(C)cc(OCCNC(=O)/C=C/c2ccccc2)c1 ZINC000001770389 567843539 /nfs/dbraw/zinc/84/35/39/567843539.db2.gz MFSACCRFLZVJFT-CMDGGOBGSA-N 0 0 295.382 3.512 50 0 CHAARN CCn1c2ccccc2c2cc(NC(C)=O)ccc21 ZINC000001852215 567843800 /nfs/dbraw/zinc/84/38/00/567843800.db2.gz GLRJFMWWBYTJKW-UHFFFAOYSA-N 0 0 252.317 3.773 50 0 CHAARN C[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000002007530 567844072 /nfs/dbraw/zinc/84/40/72/567844072.db2.gz SATGIBNNISQKBG-SNVBAGLBSA-N 0 0 284.746 3.518 50 0 CHAARN CC1(C)CC(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)C1 ZINC000002157256 567844895 /nfs/dbraw/zinc/84/48/95/567844895.db2.gz WYCKEBPBGDQGOU-UHFFFAOYSA-N 0 0 286.158 3.673 50 0 CHAARN CCCCCc1c(C)nc(SCCCC)[nH]c1=O ZINC000002191065 567845167 /nfs/dbraw/zinc/84/51/67/567845167.db2.gz GEOQLHKANOUEFK-UHFFFAOYSA-N 0 0 268.426 3.703 50 0 CHAARN CCOC(=O)CCCCC(=O)c1ccc(Cl)cc1 ZINC000002378830 567845394 /nfs/dbraw/zinc/84/53/94/567845394.db2.gz XWCLGNIBLITULM-UHFFFAOYSA-N 0 0 268.740 3.646 50 0 CHAARN CCOC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002379002 567845440 /nfs/dbraw/zinc/84/54/40/567845440.db2.gz PMVQNZOSDZOHCO-UHFFFAOYSA-N 0 0 282.339 3.880 50 0 CHAARN CCOC(=O)CCCCCCC(=O)c1ccccc1OC ZINC000002378943 567845521 /nfs/dbraw/zinc/84/55/21/567845521.db2.gz CJYNQAUFUOYCFZ-UHFFFAOYSA-N 0 0 292.375 3.782 50 0 CHAARN Clc1ccccc1Nc1nnc(-c2ccncc2)s1 ZINC000002339055 567845650 /nfs/dbraw/zinc/84/56/50/567845650.db2.gz KYLJEAUZXBZHNF-UHFFFAOYSA-N 0 0 288.763 3.997 50 0 CHAARN O=C1C[C@H](c2ccco2)c2ccc3ccccc3c2N1 ZINC000002485919 567845988 /nfs/dbraw/zinc/84/59/88/567845988.db2.gz FDYILVGULSDTRL-AWEZNQCLSA-N 0 0 263.296 3.907 50 0 CHAARN O=C(c1ccc(Br)c(F)c1)C1CCCC1 ZINC000002514371 567846180 /nfs/dbraw/zinc/84/61/80/567846180.db2.gz WZTWBENFWHDUQL-UHFFFAOYSA-N 0 0 271.129 3.961 50 0 CHAARN Cc1cc(Br)c(Br)cc1F ZINC000002512495 567846362 /nfs/dbraw/zinc/84/63/62/567846362.db2.gz GJHJZTCWLKJMIG-UHFFFAOYSA-N 0 0 267.923 3.659 50 0 CHAARN COc1ccc(CCC(=O)c2cccc(C)c2)cc1 ZINC000002516543 567846695 /nfs/dbraw/zinc/84/66/95/567846695.db2.gz 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CCOc1ccccc1NC(=O)CCc1ccc(C)o1 ZINC000002708050 567849127 /nfs/dbraw/zinc/84/91/27/567849127.db2.gz FPMMPFCZBZTMOO-UHFFFAOYSA-N 0 0 273.332 3.558 50 0 CHAARN CCCCCC[C@@H](C)NC(=O)Cc1cccs1 ZINC000002727530 567849129 /nfs/dbraw/zinc/84/91/29/567849129.db2.gz PCSGYUBIVBTVBV-GFCCVEGCSA-N 0 0 253.411 3.766 50 0 CHAARN Cc1ccccc1CNC(=O)Nc1ccc(Cl)cc1 ZINC000002877124 567849944 /nfs/dbraw/zinc/84/99/44/567849944.db2.gz MWTVNEDENANVDU-UHFFFAOYSA-N 0 0 274.751 3.970 50 0 CHAARN CCCCOc1ccc(-c2nc(-c3cccnc3)no2)cc1 ZINC000002854876 567849947 /nfs/dbraw/zinc/84/99/47/567849947.db2.gz NAUYBPDIGLSRCN-UHFFFAOYSA-N 0 0 295.342 3.978 50 0 CHAARN CCOc1ccccc1-c1noc(-c2cccc(OC)c2)n1 ZINC000002890198 567850355 /nfs/dbraw/zinc/85/03/55/567850355.db2.gz LBXLTDVRLINYKI-UHFFFAOYSA-N 0 0 296.326 3.811 50 0 CHAARN COc1cc(C)ccc1OCCCOc1ccc(F)cc1 ZINC000002984811 567851013 /nfs/dbraw/zinc/85/10/13/567851013.db2.gz DGPIIIBXXHNWPM-UHFFFAOYSA-N 0 0 290.334 3.991 50 0 CHAARN CCc1cccc(CC)c1NC(=O)c1cccc(N)c1 ZINC000003005477 567851437 /nfs/dbraw/zinc/85/14/37/567851437.db2.gz UVELTHPUYZPJPI-UHFFFAOYSA-N 0 0 268.360 3.646 50 0 CHAARN CCCCc1ccc(C(=O)Nc2nccs2)cc1 ZINC000003062323 567851484 /nfs/dbraw/zinc/85/14/84/567851484.db2.gz CSNXTGWOHBXMIH-UHFFFAOYSA-N 0 0 260.362 3.738 50 0 CHAARN Cc1cccc(C(=O)c2c(N)sc3c2CCCC3)c1 ZINC000003338706 567852351 /nfs/dbraw/zinc/85/23/51/567852351.db2.gz ZPRLDCBLJUFUMQ-UHFFFAOYSA-N 0 0 271.385 3.749 50 0 CHAARN COc1ccc(CCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000003482394 567852624 /nfs/dbraw/zinc/85/26/24/567852624.db2.gz CAZAOYOPBMNKJB-UHFFFAOYSA-N 0 0 283.371 3.883 50 0 CHAARN CCc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1 ZINC000003399165 567852698 /nfs/dbraw/zinc/85/26/98/567852698.db2.gz FJEMXJKQJNWHPQ-UHFFFAOYSA-N 0 0 263.344 3.684 50 0 CHAARN Cc1cccc(NCc2nc(-c3ccccc3)no2)c1 ZINC000003628143 567853025 /nfs/dbraw/zinc/85/30/25/567853025.db2.gz UHTSAKDHQWTLNL-UHFFFAOYSA-N 0 0 265.316 3.657 50 0 aggregator CHAARN Cc1ccc(F)cc1NC(=O)c1ccc(Br)o1 ZINC000003566372 567853257 /nfs/dbraw/zinc/85/32/57/567853257.db2.gz WRWPEWMMGIROMS-UHFFFAOYSA-N 0 0 298.111 3.742 50 0 CHAARN C[C@@]12CC[C@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O ZINC000003830642 567853582 /nfs/dbraw/zinc/85/35/82/567853582.db2.gz FMGSKLZLMKYGDP-ANPSJLJUSA-N 0 0 288.431 3.879 50 0 CHAARN Cc1ccc(NN=C2C(=O)C=Cc3ccccc32)c(C)c1 ZINC000118615404 567853838 /nfs/dbraw/zinc/85/38/38/567853838.db2.gz YPXOPAFVVHXQDP-ZZEZOPTASA-N 0 0 276.339 3.716 50 0 CHAARN COc1ccc(C(=O)c2ccccc2Cl)cc1OC ZINC000003850625 567853892 /nfs/dbraw/zinc/85/38/92/567853892.db2.gz HZUYRIJHVQPPEK-UHFFFAOYSA-N 0 0 276.719 3.588 50 0 CHAARN Cc1cccc(-c2nn(-c3ccccc3)cc2C=O)c1 ZINC000003887993 567854191 /nfs/dbraw/zinc/85/41/91/567854191.db2.gz KNPCIOKCAGHMJQ-UHFFFAOYSA-N 0 0 262.312 3.660 50 0 CHAARN Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1 ZINC000003879098 567854361 /nfs/dbraw/zinc/85/43/61/567854361.db2.gz QBWPAMLNPUEMQM-UHFFFAOYSA-N 0 0 270.376 3.545 50 0 CHAARN COc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1O ZINC000003905830 567854506 /nfs/dbraw/zinc/85/45/06/567854506.db2.gz QDTNIMDVXGIDGA-PKNBQFBNSA-N 0 0 293.322 3.825 50 0 CHAARN CCCCSc1nc2sc(C)c(C)c2c(N)n1 ZINC000004117568 567855308 /nfs/dbraw/zinc/85/53/08/567855308.db2.gz NPIBZRQZDGFSJJ-UHFFFAOYSA-N 0 0 267.423 3.783 50 0 CHAARN COc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1O ZINC000003905828 567854639 /nfs/dbraw/zinc/85/46/39/567854639.db2.gz WXSCVYJSVRNEBH-VMPITWQZSA-N 0 0 293.322 3.825 50 0 biogenic CHAARN Cc1ccsc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004018949 567854727 /nfs/dbraw/zinc/85/47/27/567854727.db2.gz GUYFSZCAOLSBKV-UHFFFAOYSA-N 0 0 275.417 3.755 50 0 CHAARN O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCCCC1 ZINC000003908255 567854749 /nfs/dbraw/zinc/85/47/49/567854749.db2.gz PDSOSTLCJMOZQJ-UHFFFAOYSA-N 0 0 290.750 3.621 50 0 CHAARN Cc1nc2cc(C)ccn2c1C(=O)CSc1ccccc1 ZINC000004003152 567854789 /nfs/dbraw/zinc/85/47/89/567854789.db2.gz CDBQPALJQSMKSD-UHFFFAOYSA-N 0 0 296.395 3.926 50 0 CHAARN O=C(NCc1ccccc1-n1cccc1)Nc1ccccc1 ZINC000004054797 567854940 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CCCC[NH2+]Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000016552455 567872837 /nfs/dbraw/zinc/87/28/37/567872837.db2.gz AXXZORRDOSSXAR-UHFFFAOYSA-N 0 0 273.332 3.535 50 0 CHAARN Cc1ccc(C)c(NC(=O)c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000016578330 567873098 /nfs/dbraw/zinc/87/30/98/567873098.db2.gz CWLAYLPGKMMVNT-ZDUSSCGKSA-N 0 0 281.355 3.879 50 0 CHAARN CCOc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1 ZINC000016605226 567873335 /nfs/dbraw/zinc/87/33/35/567873335.db2.gz XETPIEAHGUGPMB-UHFFFAOYSA-N 0 0 288.347 3.623 50 0 CHAARN Cc1cccc(NS(=O)(=O)Cc2cccc(Cl)c2)c1 ZINC000016579089 567873346 /nfs/dbraw/zinc/87/33/46/567873346.db2.gz GYPXMYXIVRCETL-UHFFFAOYSA-N 0 0 295.791 3.590 50 0 CHAARN CCc1c(C)scc1C(=O)Nc1nc(C)cs1 ZINC000016580516 567873471 /nfs/dbraw/zinc/87/34/71/567873471.db2.gz GSSHMJDRGXNINS-UHFFFAOYSA-N 0 0 266.391 3.636 50 0 CHAARN c1ccc2oc(Cc3nc4ccccc4o3)nc2c1 ZINC000000208374 567874421 /nfs/dbraw/zinc/87/44/21/567874421.db2.gz HZCFBULZGPEMOB-UHFFFAOYSA-N 0 0 250.257 3.560 50 0 CHAARN S=C(Nc1cc(Cl)cc(Cl)c1)Nc1cnccn1 ZINC000017024681 567874530 /nfs/dbraw/zinc/87/45/30/567874530.db2.gz IICFEMKKVJQWCS-UHFFFAOYSA-N 0 0 299.186 3.592 50 0 CHAARN CCCCc1nnc(NC(=O)Nc2ccccc2F)s1 ZINC000017123532 567875042 /nfs/dbraw/zinc/87/50/42/567875042.db2.gz WDBWENCMJQTIFF-UHFFFAOYSA-N 0 0 294.355 3.664 50 0 CHAARN O=C1C(=C2SCCS2)CC/C1=C/c1ccco1 ZINC000000338650 567875188 /nfs/dbraw/zinc/87/51/88/567875188.db2.gz OPFICVSKLZYRML-HJWRWDBZSA-N 0 0 264.371 3.718 50 0 CHAARN O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000000314277 567875321 /nfs/dbraw/zinc/87/53/21/567875321.db2.gz YZLBFDGNVDNPIB-UHFFFAOYSA-N 0 0 299.717 3.642 50 0 CHAARN CCCC(=O)Nc1nn(CC)c2nc3ccc(C)cc3cc12 ZINC000017207189 567875458 /nfs/dbraw/zinc/87/54/58/567875458.db2.gz FWFLOTMHWFRSJM-UHFFFAOYSA-N 0 0 296.374 3.651 50 0 CHAARN Cc1ccc(-c2nnc(COc3ccccc3C)[nH]2)cc1 ZINC000017877591 567876044 /nfs/dbraw/zinc/87/60/44/567876044.db2.gz AFFBHQDDVMRLKE-UHFFFAOYSA-N 0 0 279.343 3.668 50 0 CHAARN CC(C)(C)[C@@H]1CCc2[nH]c3ccccc3c(=O)c2C1 ZINC000018121995 567876388 /nfs/dbraw/zinc/87/63/88/567876388.db2.gz PGCNUHPZARTKBM-LLVKDONJSA-N 0 0 255.361 3.679 50 0 CHAARN Cc1ccccc1CC(=O)Nc1cccc2ncccc21 ZINC000018823695 567876927 /nfs/dbraw/zinc/87/69/27/567876927.db2.gz YLHBLOQLBRDPKQ-UHFFFAOYSA-N 0 0 276.339 3.724 50 0 CHAARN O=c1cc(-c2ccccc2)nc(SCc2ccccc2)[nH]1 ZINC000018284418 567876967 /nfs/dbraw/zinc/87/69/67/567876967.db2.gz WRDMBAGAWMSBHV-UHFFFAOYSA-N 0 0 294.379 3.729 50 0 CHAARN CCOc1ccc(N2C(=S)N=NC2c2ccccc2)cc1 ZINC000018173497 567876980 /nfs/dbraw/zinc/87/69/80/567876980.db2.gz AMDQXOKCDLEHPS-UHFFFAOYSA-N 0 0 297.383 3.622 50 0 CHAARN [NH3+][C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000019429615 567878027 /nfs/dbraw/zinc/87/80/27/567878027.db2.gz PNSYMFALJUIRBH-LBPRGKRZSA-N 0 0 254.358 3.539 50 0 CHAARN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(N)c1C ZINC000019736302 567878344 /nfs/dbraw/zinc/87/83/44/567878344.db2.gz QJYYNOFUAIRWON-QGZVFWFLSA-N 0 0 298.386 3.682 50 0 CHAARN 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ZINC000048354577 567946451 /nfs/dbraw/zinc/94/64/51/567946451.db2.gz RKMNNQYQORMOGY-SCOAYWHSSA-N 0 0 282.343 3.597 50 0 CHAARN C[C@](O)(Cc1nc(C2CCCCC2)no1)c1ccccc1 ZINC000184362370 567946843 /nfs/dbraw/zinc/94/68/43/567946843.db2.gz UMJZTZDEGWSKGR-KRWDZBQOSA-N 0 0 286.375 3.568 50 0 CHAARN O=C(c1ccc(F)cc1)N1CCC(Oc2ccccc2)CC1 ZINC000049706031 567946856 /nfs/dbraw/zinc/94/68/56/567946856.db2.gz PPLUIHCBJFPISS-UHFFFAOYSA-N 0 0 299.345 3.509 50 0 CHAARN Cc1cc(CN(Cc2nccs2)Cc2ccccc2)on1 ZINC000216179545 567947633 /nfs/dbraw/zinc/94/76/33/567947633.db2.gz FVYSSIKPHMNZMG-UHFFFAOYSA-N 0 0 299.399 3.642 50 0 CHAARN Cc1n[nH]c(C)c1[C@H](C)N(C)Cc1c(F)ccc(F)c1F ZINC000216220356 567947699 /nfs/dbraw/zinc/94/76/99/567947699.db2.gz IHSNSLZIDQEPSS-JTQLQIEISA-N 0 0 297.324 3.637 50 0 CHAARN Cc1n[nH]c(C)c1[C@@H](C)N(C)Cc1c(F)ccc(F)c1F ZINC000216220315 567947757 /nfs/dbraw/zinc/94/77/57/567947757.db2.gz IHSNSLZIDQEPSS-SNVBAGLBSA-N 0 0 297.324 3.637 50 0 CHAARN Cc1ccc(OCc2ccc(C(=O)N3CCCC3)o2)cc1C 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ZINC000013945982 570222658 /nfs/dbraw/zinc/22/26/58/570222658.db2.gz SVDWQCUNQVQYOR-OAHLLOKOSA-N 0 0 297.398 3.755 50 0 CHAARN CCC[C@H](C)NC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000032795118 570223463 /nfs/dbraw/zinc/22/34/63/570223463.db2.gz UGGBRVZKTIFJEN-QWRGUYRKSA-N 0 0 268.788 3.889 50 0 CHAARN CCC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000032795117 570223480 /nfs/dbraw/zinc/22/34/80/570223480.db2.gz UGGBRVZKTIFJEN-MNOVXSKESA-N 0 0 268.788 3.889 50 0 CHAARN CC(C)c1ccc([C@H](C)NC(=O)NCc2ccco2)cc1 ZINC000032841302 570224657 /nfs/dbraw/zinc/22/46/57/570224657.db2.gz BJOBAMSMSUGHPJ-ZDUSSCGKSA-N 0 0 286.375 3.963 50 0 CHAARN Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)o1 ZINC000016990622 570225905 /nfs/dbraw/zinc/22/59/05/570225905.db2.gz NFMWRTSTDGZMMI-QWHCGFSZSA-N 0 0 263.381 3.923 50 0 CHAARN C[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(Cl)cc1 ZINC000024929228 570228441 /nfs/dbraw/zinc/22/84/41/570228441.db2.gz ZFOCBSCTYJKDMQ-WFASDCNBSA-N 0 0 294.826 3.760 50 0 CHAARN CC(=O)Nc1ccc(Sc2ncccc2Cl)cc1 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/nfs/dbraw/zinc/24/73/73/570247373.db2.gz KMVPDCJPUSFZNS-SNVBAGLBSA-N 0 0 286.400 3.829 50 0 CHAARN C[C@@H]1CCC[C@@H](NC(=O)Cn2ccc3ccccc32)[C@@H]1C ZINC000004676658 570247810 /nfs/dbraw/zinc/24/78/10/570247810.db2.gz IBVFHTJJEKWKLG-IIAWOOMASA-N 0 0 284.403 3.582 50 0 CHAARN Oc1c(-c2cc(C(F)(F)F)[nH]n2)ccc2ccccc12 ZINC000000061024 570251132 /nfs/dbraw/zinc/25/11/32/570251132.db2.gz UNXDMHYQIYIAMH-UHFFFAOYSA-N 0 0 278.233 3.954 50 0 CHAARN Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1Cl ZINC000000060772 570251260 /nfs/dbraw/zinc/25/12/60/570251260.db2.gz GRRAKROCURHRIV-UHFFFAOYSA-N 0 0 288.778 3.967 50 0 CHAARN CCc1c(N[C@@H](C)c2ccccn2)cnn1CC(C)C ZINC000097038715 570251534 /nfs/dbraw/zinc/25/15/34/570251534.db2.gz BQQYZWJAIWFPPI-ZDUSSCGKSA-N 0 0 272.396 3.670 50 0 CHAARN Fc1ccc(-c2noc(C3CCC3)n2)cc1Cl ZINC000725273720 570264007 /nfs/dbraw/zinc/26/40/07/570264007.db2.gz XPSVBPHLSLGFFC-UHFFFAOYSA-N 0 0 252.676 3.797 50 0 CHAARN COc1ccc(-c2csc(-n3nc(C)cc3C)n2)cc1 ZINC000000352209 570264829 /nfs/dbraw/zinc/26/48/29/570264829.db2.gz TYRGAFDFPYFMAA-UHFFFAOYSA-N 0 0 285.372 3.621 50 0 CHAARN CCOc1ccc(NCC2OCc3ccccc3CO2)cc1 ZINC000000377323 570266009 /nfs/dbraw/zinc/26/60/09/570266009.db2.gz CWBPZKUMAZHXAN-UHFFFAOYSA-N 0 0 299.370 3.570 50 0 CHAARN C[C@@H](c1nc(-c2cccs2)no1)N1CCc2ccccc21 ZINC000129919459 570269253 /nfs/dbraw/zinc/26/92/53/570269253.db2.gz DJRZEUZXPZUTTF-NSHDSACASA-N 0 0 297.383 3.922 50 0 CHAARN Cc1sc2nc(-c3ccccc3F)oc(=O)c2c1C ZINC000000445763 570271322 /nfs/dbraw/zinc/27/13/22/570271322.db2.gz ZVKGLFPBLOCIKU-UHFFFAOYSA-N 0 0 275.304 3.672 50 0 CHAARN Oc1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000001286889 570274650 /nfs/dbraw/zinc/27/46/50/570274650.db2.gz QQUQOCDTRITFQE-UHFFFAOYSA-N 0 0 263.300 3.593 50 0 CHAARN Cc1ccccc1COc1ccc2c(C)cc(=O)oc2c1 ZINC000003451245 570275145 /nfs/dbraw/zinc/27/51/45/570275145.db2.gz ROOBAKIXLJQBTB-UHFFFAOYSA-N 0 0 280.323 3.989 50 0 CHAARN CCCCC[C@@H](C)NC(=O)c1ccc(Br)o1 ZINC000002479908 570277612 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/nfs/dbraw/zinc/29/72/09/570297209.db2.gz XIZDRBZNHGOHRP-UHFFFAOYSA-N 0 0 275.367 3.554 50 0 CHAARN CC(C)c1ccc(OCCNC(=O)C[C@H]2C=CCC2)cc1 ZINC000048333606 570297221 /nfs/dbraw/zinc/29/72/21/570297221.db2.gz XUJKZICIBHFQRV-HNNXBMFYSA-N 0 0 287.403 3.661 50 0 CHAARN C(=C/c1ccccc1)\CSc1n[nH]c(-c2cccnc2)n1 ZINC000048339786 570297437 /nfs/dbraw/zinc/29/74/37/570297437.db2.gz BFMQZYOHBWBBRL-VMPITWQZSA-N 0 0 294.383 3.672 50 0 CHAARN Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)nc1 ZINC000048696944 570298927 /nfs/dbraw/zinc/29/89/27/570298927.db2.gz ZBMWYRQZONOBFE-MNOVXSKESA-N 0 0 286.297 3.697 50 0 CHAARN CSc1ccccc1NC(=O)CCCn1cccc1 ZINC000049030982 570299836 /nfs/dbraw/zinc/29/98/36/570299836.db2.gz YVXDOEPGCIBFIZ-UHFFFAOYSA-N 0 0 274.389 3.629 50 0 CHAARN CCc1cc2c(ncnc2Oc2ccc(C)nc2)s1 ZINC000049099798 570299889 /nfs/dbraw/zinc/29/98/89/570299889.db2.gz CIZCHVKOJKHTBB-UHFFFAOYSA-N 0 0 271.345 3.749 50 0 CHAARN O=C(NCc1ccccc1Cl)Nc1cccnc1Cl ZINC000049203994 570299916 /nfs/dbraw/zinc/29/99/16/570299916.db2.gz HZWFTVJNSJIJLT-UHFFFAOYSA-N 0 0 296.157 3.710 50 0 CHAARN CCN(C(=O)Nc1ccc(Cl)nc1)[C@H](C)C(C)C ZINC000049395624 570300360 /nfs/dbraw/zinc/30/03/60/570300360.db2.gz JJDMKNHRLFPUDI-SNVBAGLBSA-N 0 0 269.776 3.633 50 0 CHAARN Cc1ccc(-c2cccc(C[NH+]3CCSCC3)c2)o1 ZINC000215109226 570302279 /nfs/dbraw/zinc/30/22/79/570302279.db2.gz IXXRHNKYYORDJO-UHFFFAOYSA-N 0 0 273.401 3.804 50 0 CHAARN CSc1ccccc1-c1nccc(NC(C)C)n1 ZINC000215389503 570302773 /nfs/dbraw/zinc/30/27/73/570302773.db2.gz YDAMWANRBHLDJV-UHFFFAOYSA-N 0 0 259.378 3.686 50 0 CHAARN Cc1cccc(-c2ccc(Cn3ccnc3)cn2)c1C ZINC000216130218 570305201 /nfs/dbraw/zinc/30/52/01/570305201.db2.gz HKXXNFJGTOMUIW-UHFFFAOYSA-N 0 0 263.344 3.610 50 0 CHAARN CCN1C=C(c2csc(C)n2)[C@@H](c2ccccc2)NC1=O ZINC000012323462 570307611 /nfs/dbraw/zinc/30/76/11/570307611.db2.gz NFDVUUIMJUSTKA-OAHLLOKOSA-N 0 0 299.399 3.579 50 0 CHAARN Fc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000003175893 570308902 /nfs/dbraw/zinc/30/89/02/570308902.db2.gz HQNDUNAYTZLHDD-UHFFFAOYSA-N 0 0 250.276 3.950 50 0 CHAARN O=C(CC1CC1)N1CCCC[C@@H](c2ccccc2)C1 ZINC000390826616 570309815 /nfs/dbraw/zinc/30/98/15/570309815.db2.gz AVOOYKPKCORMOK-MRXNPFEDSA-N 0 0 257.377 3.583 50 0 CHAARN Cc1cc(CN(C)C(=O)c2ccc(Cl)cc2Cl)no1 ZINC000031658535 570310452 /nfs/dbraw/zinc/31/04/52/570310452.db2.gz XZARKWVYMMMXIV-UHFFFAOYSA-N 0 0 299.157 3.562 50 0 CHAARN CCSc1nsc(NC(=O)c2ccccc2Cl)n1 ZINC000033254483 570311718 /nfs/dbraw/zinc/31/17/18/570311718.db2.gz UTULTGWYAMWWBI-UHFFFAOYSA-N 0 0 299.808 3.556 50 0 CHAARN O=C(Nc1ccc(F)cc1F)C1C2CC3CC(C2)CC1C3 ZINC000024830364 570311955 /nfs/dbraw/zinc/31/19/55/570311955.db2.gz MFVBLKFZEVSOLK-UHFFFAOYSA-N 0 0 291.341 3.976 50 0 CHAARN CC(C)c1cc(CN(Cc2ccc(O)cc2)C2CC2)no1 ZINC000244734734 570321071 /nfs/dbraw/zinc/32/10/71/570321071.db2.gz NKYIOAHSVYCYEO-UHFFFAOYSA-N 0 0 286.375 3.668 50 0 CHAARN C[C@H](SC1CCCC1)C(=O)Nc1cccnc1Cl ZINC000068934936 570325870 /nfs/dbraw/zinc/32/58/70/570325870.db2.gz CVWJXNNFVRZQHD-VIFPVBQESA-N 0 0 284.812 3.738 50 0 CHAARN CC[C@@H](C)Nc1nc(-c2cccnc2)nc2ccccc21 ZINC000000892016 570322240 /nfs/dbraw/zinc/32/22/40/570322240.db2.gz ICHVUPHTLBHKJK-GFCCVEGCSA-N 0 0 278.359 3.902 50 0 CHAARN Cc1cc2c(s1)CC[C@H]1SC(Cl)C=C1C2=O ZINC000005926950 570325886 /nfs/dbraw/zinc/32/58/86/570325886.db2.gz FCXWGMSAKHCPHC-PSASIEDQSA-N 0 0 270.806 3.997 50 0 CHAARN O=C(C[C@@H]1C=CCC1)Nc1ccc(Br)cc1 ZINC000019676684 570324707 /nfs/dbraw/zinc/32/47/07/570324707.db2.gz KNZDWSZSUKWEKE-SNVBAGLBSA-N 0 0 280.165 3.744 50 0 CHAARN Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)nc1 ZINC000012511937 570326429 /nfs/dbraw/zinc/32/64/29/570326429.db2.gz CMYGGMOQKXSWSH-UHFFFAOYSA-N 0 0 296.248 3.541 50 0 CHAARN CCOc1ccc(OCc2ccc(-c3nnco3)cc2)cc1 ZINC000003256236 570327343 /nfs/dbraw/zinc/32/73/43/570327343.db2.gz CUMXMZRDKLQZRW-UHFFFAOYSA-N 0 0 296.326 3.714 50 0 CHAARN Cc1cc(NC(=O)c2cc3c(cccc3F)s2)no1 ZINC000012587357 570328462 /nfs/dbraw/zinc/32/84/62/570328462.db2.gz DFFDEODEVGNBDQ-UHFFFAOYSA-N 0 0 276.292 3.589 50 0 CHAARN CC(C)C(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000012597699 570328797 /nfs/dbraw/zinc/32/87/97/570328797.db2.gz VLXMDTFIWPHVGT-UHFFFAOYSA-N 0 0 286.400 3.968 50 0 CHAARN Cc1cc(NC(=O)[C@@H](C)Oc2cccc3ccccc32)no1 ZINC000012617881 570329821 /nfs/dbraw/zinc/32/98/21/570329821.db2.gz AILKDOKXBZKGQU-GFCCVEGCSA-N 0 0 296.326 3.542 50 0 CHAARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1CCC2=O ZINC000253497590 570333077 /nfs/dbraw/zinc/33/30/77/570333077.db2.gz QGXBDMJGAMFCBF-HBXFBLLUSA-N 0 0 290.447 3.959 50 0 biogenic,in-vitro CHAARN Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000002784022 570333738 /nfs/dbraw/zinc/33/37/38/570333738.db2.gz OAFGHYCNOPLOAQ-RYUDHWBXSA-N 0 0 281.281 3.852 50 0 CHAARN Cc1nn(-c2ccccc2)c(C)c1NCc1cscn1 ZINC000084017055 570334316 /nfs/dbraw/zinc/33/43/16/570334316.db2.gz KEERVDYRHJRWDH-UHFFFAOYSA-N 0 0 284.388 3.558 50 0 CHAARN C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000001420936 570335284 /nfs/dbraw/zinc/33/52/84/570335284.db2.gz XWQHNQKTYBQNKM-JTQLQIEISA-N 0 0 275.735 3.537 50 0 CHAARN O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CCCO1 ZINC000001422628 570335503 /nfs/dbraw/zinc/33/55/03/570335503.db2.gz NRFLMXDTABSKGN-HNNXBMFYSA-N 0 0 281.311 3.704 50 0 CHAARN Cc1cccn2cc(CNc3cccc(Cl)c3)nc12 ZINC000001430011 570335810 /nfs/dbraw/zinc/33/58/10/570335810.db2.gz BUHFBQSQFTZQLU-UHFFFAOYSA-N 0 0 271.751 3.908 50 0 CHAARN Cc1ncc(CN(C)C(=O)CCC2CCCCC2)s1 ZINC000046772312 570336394 /nfs/dbraw/zinc/33/63/94/570336394.db2.gz WRAGFZXNIBELNU-UHFFFAOYSA-N 0 0 280.437 3.770 50 0 CHAARN COC(C)(C)c1noc([C@@H]2C[C@@H]2c2ccccc2C)n1 ZINC000085237855 570337951 /nfs/dbraw/zinc/33/79/51/570337951.db2.gz VHYUZQQJXWAQAN-CHWSQXEVSA-N 0 0 272.348 3.531 50 0 CHAARN O=C(Nc1ccncc1)c1ccc(Cl)cc1Cl ZINC000000290615 570341911 /nfs/dbraw/zinc/34/19/11/570341911.db2.gz CNUMGKSMDVCODH-UHFFFAOYSA-N 0 0 267.115 3.641 50 0 CHAARN Fc1ccc(NC(=S)Nc2ccccc2F)c(F)c1 ZINC000000398770 570342937 /nfs/dbraw/zinc/34/29/37/570342937.db2.gz LABCXHGCVMRMIQ-UHFFFAOYSA-N 0 0 282.290 3.913 50 0 CHAARN Cc1ccc(-c2ccc(CCC(=O)N3CCCC3)o2)cc1 ZINC000015867453 570345302 /nfs/dbraw/zinc/34/53/02/570345302.db2.gz NFSLMRQBEDOKLI-UHFFFAOYSA-N 0 0 283.371 3.810 50 0 CHAARN CCCCNc1nnc(S[C@H]2CCCCCC2=O)s1 ZINC000012883038 570346243 /nfs/dbraw/zinc/34/62/43/570346243.db2.gz FZRDDEWFWXMJOD-NSHDSACASA-N 0 0 299.465 3.744 50 0 CHAARN CCN(CC)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012934146 570346932 /nfs/dbraw/zinc/34/69/32/570346932.db2.gz AYONRVCPZSLARF-UHFFFAOYSA-N 0 0 270.376 3.529 50 0 CHAARN Cc1nc(-c2ccc(CNC(=O)C3CCC3)cc2)cs1 ZINC000012937333 570347349 /nfs/dbraw/zinc/34/73/49/570347349.db2.gz NKFASOWGHFZBTK-UHFFFAOYSA-N 0 0 286.400 3.535 50 0 CHAARN CCOC(=O)Nc1cccc(OCc2nc(C)cs2)c1 ZINC000088508898 570347653 /nfs/dbraw/zinc/34/76/53/570347653.db2.gz GWRLHXVXFYXDFK-UHFFFAOYSA-N 0 0 292.360 3.599 50 0 CHAARN COc1ccc2c(c1)-c1ccccc1[C@@]2(O)c1ccccc1 ZINC000006182351 570347670 /nfs/dbraw/zinc/34/76/70/570347670.db2.gz MNZZNSMPTIWQMO-FQEVSTJZSA-N 0 0 288.346 3.960 50 0 CHAARN CCCCC(=O)N[C@H](C)c1cnn(-c2ccc(C)cc2)c1C ZINC000012941259 570347693 /nfs/dbraw/zinc/34/76/93/570347693.db2.gz CKUSGQKDQMDQHT-CQSZACIVSA-N 0 0 299.418 3.857 50 0 CHAARN COc1ccc2[nH]c(C(=O)Nc3cccc(F)c3C)cc2c1 ZINC000075337195 570348769 /nfs/dbraw/zinc/34/87/69/570348769.db2.gz YIXDNQWWTITNOO-UHFFFAOYSA-N 0 0 298.317 3.876 50 0 CHAARN Cc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 ZINC000006218432 570349726 /nfs/dbraw/zinc/34/97/26/570349726.db2.gz QRPCGZJYJCTGJA-UHFFFAOYSA-N 0 0 291.297 3.526 50 0 CHAARN C[C@@H](Cc1ccccc1)NC(=O)c1ccnc2ccccc21 ZINC000669369065 570350218 /nfs/dbraw/zinc/35/02/18/570350218.db2.gz YWEXRSHDLSLXPA-AWEZNQCLSA-N 0 0 290.366 3.596 50 0 CHAARN C[C@@]12CC[C@@H]3[C@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2O ZINC000253497551 570355664 /nfs/dbraw/zinc/35/56/64/570355664.db2.gz BTTWKVFKBPAFDK-XDQBVRMPSA-N 0 0 290.447 3.671 50 0 CHAARN COc1cccc(NC(=O)c2cc3ccccc3cc2O)c1 ZINC000016505232 570355880 /nfs/dbraw/zinc/35/58/80/570355880.db2.gz ZGZIWJXBOGSHNI-UHFFFAOYSA-N 0 0 293.322 3.806 50 0 CHAARN CC[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1 ZINC000000234725 570357195 /nfs/dbraw/zinc/35/71/95/570357195.db2.gz SYULUGXEZUGLET-KAUXGEHWSA-N 0 0 279.383 3.837 50 0 biogenic CHAARN O=C(Nc1cnc(-c2ccc(Cl)cc2)nc1)c1ccco1 ZINC000064542916 570358738 /nfs/dbraw/zinc/35/87/38/570358738.db2.gz YKVXDOAVPISDCG-UHFFFAOYSA-N 0 0 299.717 3.642 50 0 CHAARN CC(C)n1cc2cc(C(=O)NCc3cccnc3)sc2c1 ZINC000065285409 570361572 /nfs/dbraw/zinc/36/15/72/570361572.db2.gz WEVWJPFOESVPSQ-UHFFFAOYSA-N 0 0 299.399 3.609 50 0 CHAARN Fc1cccc(COc2ccc(-c3nnco3)cc2)c1F ZINC000065594905 570362571 /nfs/dbraw/zinc/36/25/71/570362571.db2.gz LLBBIUNKGOUXBH-UHFFFAOYSA-N 0 0 288.253 3.594 50 0 CHAARN CCN(CCC(F)(F)F)C(=O)c1ccc2ccccc2n1 ZINC000065593578 570362651 /nfs/dbraw/zinc/36/26/51/570362651.db2.gz JRZMWGNBRZHGRV-UHFFFAOYSA-N 0 0 296.292 3.649 50 0 CHAARN CCCNc1ccc(CNC(=O)c2cccs2)cc1 ZINC000170614793 570363068 /nfs/dbraw/zinc/36/30/68/570363068.db2.gz BTJYCKWIRCKIFA-UHFFFAOYSA-N 0 0 274.389 3.500 50 0 CHAARN CC(C)CNc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000170616015 570363095 /nfs/dbraw/zinc/36/30/95/570363095.db2.gz APOVJBGJUCJTIN-CQSZACIVSA-N 0 0 274.408 3.769 50 0 CHAARN CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(CC)cc1 ZINC000170615380 570363123 /nfs/dbraw/zinc/36/31/23/570363123.db2.gz WUSAZVNUGUENKB-INIZCTEOSA-N 0 0 296.370 3.930 50 0 CHAARN C[C@@H](Nc1cccc(-c2nccn2C)c1)C1CCC1 ZINC000170616071 570363230 /nfs/dbraw/zinc/36/32/30/570363230.db2.gz YRIUKLGQEGBNOR-GFCCVEGCSA-N 0 0 255.365 3.688 50 0 CHAARN O=C(NCc1ccsc1)c1ccc(C(F)(F)F)cc1 ZINC000013698098 570364196 /nfs/dbraw/zinc/36/41/96/570364196.db2.gz LXNZWEPWAVDZPM-UHFFFAOYSA-N 0 0 285.290 3.697 50 0 CHAARN CC[C@H](C)NC(=O)C1=Cc2sc(C)c(C)c2CS1 ZINC000009211358 570369851 /nfs/dbraw/zinc/36/98/51/570369851.db2.gz MKOVGCDBWKRLCK-QMMMGPOBSA-N 0 0 281.446 3.867 50 0 CHAARN CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1F ZINC000001059788 570370306 /nfs/dbraw/zinc/37/03/06/570370306.db2.gz ROFWDWBZKHHBRP-AWEZNQCLSA-N 0 0 271.335 3.577 50 0 CHAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(Cl)c1 ZINC000227222244 570372322 /nfs/dbraw/zinc/37/23/22/570372322.db2.gz JSTMSRZLHGFHHD-SNPRPXQTSA-N 0 0 293.794 3.558 50 0 CHAARN Cc1cc2oc(=O)cc(CNc3ccccc3F)c2cc1O ZINC000002118974 570373616 /nfs/dbraw/zinc/37/36/16/570373616.db2.gz JMDVYMMNBDRTBP-UHFFFAOYSA-N 0 0 299.301 3.558 50 0 biogenic CHAARN CC(C)(C)C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000054667402 570375095 /nfs/dbraw/zinc/37/50/95/570375095.db2.gz FNKFVKHGTLSIIL-UHFFFAOYSA-N 0 0 297.402 3.871 50 0 CHAARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]43)[C@H]1CCC2=O ZINC000003881953 570380152 /nfs/dbraw/zinc/38/01/52/570380152.db2.gz JRIZOGLBRPZBLQ-HBPKQKSZSA-N 0 0 272.388 3.697 50 0 CHAARN Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1C ZINC000000265820 570382766 /nfs/dbraw/zinc/38/27/66/570382766.db2.gz PXRUDTKTGZDJHY-UHFFFAOYSA-N 0 0 265.356 3.502 50 0 CHAARN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccoc2C2CC2)C1 ZINC000253396005 570384595 /nfs/dbraw/zinc/38/45/95/570384595.db2.gz WQYOUPWGEPJGSN-WBMJQRKESA-N 0 0 296.370 3.775 50 0 CHAARN Cc1ccccc1-n1cnnc1SCC1(C)CCC1 ZINC000253400456 570385002 /nfs/dbraw/zinc/38/50/02/570385002.db2.gz IQPYGYPSXHJCER-UHFFFAOYSA-N 0 0 273.405 3.858 50 0 CHAARN CCOP(=O)(OCC)[C@H](CC(C)=O)c1ccco1 ZINC000002294381 570385746 /nfs/dbraw/zinc/38/57/46/570385746.db2.gz DXJZKDZLNVZSCN-GFCCVEGCSA-N 0 0 274.253 3.566 50 0 CHAARN CC[C@@H](NC(=O)C1C(C)(C)C1(C)C)c1ccc(C)cn1 ZINC000584887369 570385777 /nfs/dbraw/zinc/38/57/77/570385777.db2.gz CZHXLEOGGHSVOJ-GFCCVEGCSA-N 0 0 274.408 3.640 50 0 CHAARN O=C1C=CC(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000012359921 570386342 /nfs/dbraw/zinc/38/63/42/570386342.db2.gz DVNPYLMPVFDKGZ-UHFFFAOYSA-N 0 0 277.283 3.531 50 0 CHAARN O=C(Nc1ccccn1)C(c1ccccc1)c1ccccc1 ZINC000000258685 570387591 /nfs/dbraw/zinc/38/75/91/570387591.db2.gz KFHRHCHIPAPKLI-UHFFFAOYSA-N 0 0 288.350 3.852 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ZINC000021671727 171318959 /nfs/dbraw/zinc/31/89/59/171318959.db2.gz JLVXVRFIMWYNAA-UHFFFAOYSA-N 0 0 296.370 3.638 50 0 CHAARN CC(C)c1cc([C@@H]2CCCN2Cc2ccc(O)cc2)no1 ZINC000021720648 171320419 /nfs/dbraw/zinc/32/04/19/171320419.db2.gz QVGRIZICSODTRH-INIZCTEOSA-N 0 0 286.375 3.841 50 0 CHAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC(C)C ZINC000021787066 171322399 /nfs/dbraw/zinc/32/23/99/171322399.db2.gz PLCOAQDMEMJWHA-INIZCTEOSA-N 0 0 299.418 3.766 50 0 CHAARN CC[C@H](C(=O)Nc1cccc2nsnc21)c1ccccc1 ZINC000021883193 171335777 /nfs/dbraw/zinc/33/57/77/171335777.db2.gz WOMMFNORKDJGEF-LBPRGKRZSA-N 0 0 297.383 3.824 50 0 CHAARN Cc1ccc(CN(C)C(=O)c2ccc3[nH]c(C)c(C)c3c2)o1 ZINC000021902885 171336495 /nfs/dbraw/zinc/33/64/95/171336495.db2.gz JSLPTHVRKVHWSZ-UHFFFAOYSA-N 0 0 296.370 3.958 50 0 CHAARN COc1ccc(C(=O)CSc2cccc(OC)c2)cc1 ZINC000021986363 171345288 /nfs/dbraw/zinc/34/52/88/171345288.db2.gz CXSKVBXJDSVPKS-UHFFFAOYSA-N 0 0 288.368 3.679 50 0 CHAARN CCn1c(C)cc(C(=O)Nc2ccccc2C)c1C ZINC000022006210 171348509 /nfs/dbraw/zinc/34/85/09/171348509.db2.gz FLLPEFXMQOOXFB-UHFFFAOYSA-N 0 0 256.349 3.686 50 0 CHAARN COc1ccccc1CNC(=O)/C=C/c1ccc(C)cc1C ZINC000022058926 171351648 /nfs/dbraw/zinc/35/16/48/171351648.db2.gz GCCXQWDVBHYHKI-ZHACJKMWSA-N 0 0 295.382 3.642 50 0 CHAARN CCN(C)C(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000022325802 171385034 /nfs/dbraw/zinc/38/50/34/171385034.db2.gz BSTBSQSSONYMPV-UHFFFAOYSA-N 0 0 286.375 3.731 50 0 CHAARN CCCCc1ccc(NC(=O)c2coc(C)n2)cc1 ZINC000022538394 171390469 /nfs/dbraw/zinc/39/04/69/171390469.db2.gz AINREYSEOIYAMV-UHFFFAOYSA-N 0 0 258.321 3.578 50 0 CHAARN Cc1cc(C)cc(C(=O)NCC2(c3cccs3)CC2)c1 ZINC000022680094 171395580 /nfs/dbraw/zinc/39/55/80/171395580.db2.gz ZSMHDGIFBKTDBC-UHFFFAOYSA-N 0 0 285.412 3.827 50 0 CHAARN CC(C)OC(=O)c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000023325658 171419805 /nfs/dbraw/zinc/41/98/05/171419805.db2.gz NLNFUSUTAHSPOV-CYBMUJFWSA-N 0 0 287.359 3.547 50 0 CHAARN C[C@H](Nc1cc(Cl)nc(N)n1)c1ccccc1Cl ZINC000024056451 171431301 /nfs/dbraw/zinc/43/13/01/171431301.db2.gz ZTRXYWDLBBBHKP-ZETCQYMHSA-N 0 0 283.162 3.539 50 0 CHAARN Cc1cn2c(CC(=O)Nc3cc(C)cc(C)c3)csc2n1 ZINC000025050487 171447739 /nfs/dbraw/zinc/44/77/39/171447739.db2.gz VLXAYBSOKNBNCU-UHFFFAOYSA-N 0 0 299.399 3.502 50 0 CHAARN O=C(c1ccccc1F)N1CCC[C@H]1c1ccc(F)cc1 ZINC000025534148 171460059 /nfs/dbraw/zinc/46/00/59/171460059.db2.gz AFCSSDUHYBDFLM-INIZCTEOSA-N 0 0 287.309 3.942 50 0 CHAARN CC(=O)c1c(=O)cc(C)oc1Nc1cc(C)ccc1C ZINC000027525506 171519730 /nfs/dbraw/zinc/51/97/30/171519730.db2.gz YVJNCVCCOCHWPK-UHFFFAOYSA-N 0 0 271.316 3.511 50 0 CHAARN C[C@@H](NC(=O)Nc1ccccc1Cl)c1ccncc1 ZINC000028579918 171566030 /nfs/dbraw/zinc/56/60/30/171566030.db2.gz JFYBJXJQYOLNCJ-SNVBAGLBSA-N 0 0 275.739 3.618 50 0 CHAARN Cc1cccc(C)c1NC(=O)/C=C\c1ccccc1 ZINC000031723327 171644744 /nfs/dbraw/zinc/64/47/44/171644744.db2.gz RGVUJGWQEVQKSO-QXMHVHEDSA-N 0 0 251.329 3.955 50 0 CHAARN Cc1nc(-c2c[nH]c(C(=O)NCCC(C)(C)C)c2)cs1 ZINC000031759495 171645485 /nfs/dbraw/zinc/64/54/85/171645485.db2.gz DBIVYOZJQOGHGL-UHFFFAOYSA-N 0 0 291.420 3.613 50 0 CHAARN O=C(Cn1ccc2ccc(Cl)cc21)N1CCCCCC1 ZINC000032074806 171695705 /nfs/dbraw/zinc/69/57/05/171695705.db2.gz QCCNJFBHSGSQCW-UHFFFAOYSA-N 0 0 290.794 3.697 50 0 CHAARN O=C(Cn1ccc2cc(Cl)ccc21)NCc1ccccc1 ZINC000032089454 171696130 /nfs/dbraw/zinc/69/61/30/171696130.db2.gz AUDBLFMFOQRFIB-UHFFFAOYSA-N 0 0 298.773 3.611 50 0 CHAARN Brc1ccnc2c(Br)cccc12 ZINC000032099842 171696754 /nfs/dbraw/zinc/69/67/54/171696754.db2.gz LNJMYWNYBSIPIS-UHFFFAOYSA-N 0 0 286.954 3.760 50 0 CHAARN CCCn1c(C)cc(/C=C/C(=O)Nc2ccncc2)c1C ZINC000032726116 171745670 /nfs/dbraw/zinc/74/56/70/171745670.db2.gz BIPWCPCCSFUZCF-AATRIKPKSA-N 0 0 283.375 3.562 50 0 CHAARN NC(=O)c1cccc(COc2cccc(Cl)c2Cl)c1 ZINC000032827025 171754012 /nfs/dbraw/zinc/75/40/12/171754012.db2.gz UIJGTTYZHTYOLY-UHFFFAOYSA-N 0 0 296.153 3.671 50 0 CHAARN C[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC=CCC1 ZINC000032930668 171763566 /nfs/dbraw/zinc/76/35/66/171763566.db2.gz LORLNTPBFBXZME-GXTWGEPZSA-N 0 0 277.795 3.744 50 0 CHAARN O=C(CC1CCCC1)N1CCC[C@@H]1c1cccs1 ZINC000033028516 171769187 /nfs/dbraw/zinc/76/91/87/171769187.db2.gz IUDCOGHTTYAZDU-CYBMUJFWSA-N 0 0 263.406 3.992 50 0 CHAARN Cc1nc(-c2ccc(C(=O)Nc3cccc(C)c3)cc2)no1 ZINC000033077064 171769823 /nfs/dbraw/zinc/76/98/23/171769823.db2.gz RXBLXSGEUMTTEH-UHFFFAOYSA-N 0 0 293.326 3.606 50 0 CHAARN Cc1ccc(-c2cc(C(=O)NCc3ccccc3)on2)cc1 ZINC000033145162 171771953 /nfs/dbraw/zinc/77/19/53/171771953.db2.gz HERQRKXPJLXXRO-UHFFFAOYSA-N 0 0 292.338 3.580 50 0 CHAARN CC(C)c1cc([C@H]2CCCN2C(=O)c2cccs2)on1 ZINC000033270046 171776178 /nfs/dbraw/zinc/77/61/78/171776178.db2.gz HAYHMRJKSYQKKO-GFCCVEGCSA-N 0 0 290.388 3.837 50 0 CHAARN C[C@@H](CCc1ccccc1)NC(=O)/C=C\c1cccs1 ZINC000033456486 171804330 /nfs/dbraw/zinc/80/43/30/171804330.db2.gz UFYPQMSYIGRYNO-NYHXXUGCSA-N 0 0 285.412 3.899 50 0 CHAARN CN(Cc1cccc(F)c1)C(=O)c1c[nH]c2ccccc12 ZINC000035134692 172001529 /nfs/dbraw/zinc/00/15/29/172001529.db2.gz JEWUZWMRIHTBBU-UHFFFAOYSA-N 0 0 282.318 3.579 50 0 CHAARN CN(Cc1ccsc1)C(=O)c1c[nH]c2ccccc21 ZINC000035137144 172004362 /nfs/dbraw/zinc/00/43/62/172004362.db2.gz CQIZMTPURXDUDI-UHFFFAOYSA-N 0 0 270.357 3.502 50 0 CHAARN CCOC(=O)c1sc(NC(=O)[C@H]2CC=CCC2)cc1C ZINC000035151809 172015306 /nfs/dbraw/zinc/01/53/06/172015306.db2.gz CUEYKVVKAFIPMV-NSHDSACASA-N 0 0 293.388 3.528 50 0 CHAARN C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCCO1 ZINC000035208020 172054018 /nfs/dbraw/zinc/05/40/18/172054018.db2.gz PYYQCBBQDMIHRR-XVKPBYJWSA-N 0 0 294.704 3.733 50 0 CHAARN C[C@H]1c2cc(Cl)ccc2O[C@@H]2c3ccccc3C(=O)N21 ZINC000035324755 172126952 /nfs/dbraw/zinc/12/69/52/172126952.db2.gz BTRYEPPEYIAAAB-XXFAHNHDSA-N 0 0 285.730 3.948 50 0 CHAARN Cc1nn(C(=O)Nc2ccc(F)cc2)c2ccccc12 ZINC000035422262 172190636 /nfs/dbraw/zinc/19/06/36/172190636.db2.gz BRGNSAIFCAIACU-UHFFFAOYSA-N 0 0 269.279 3.564 50 0 CHAARN CC[C@@H](C)NC(=O)c1cc2ccc3ccc(C)nc3c2[nH]1 ZINC000035477782 172221541 /nfs/dbraw/zinc/22/15/41/172221541.db2.gz WOOAUIZNJYHOEZ-SNVBAGLBSA-N 0 0 281.359 3.553 50 0 CHAARN Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000035503382 172237544 /nfs/dbraw/zinc/23/75/44/172237544.db2.gz CJTDWIABBZPMBD-UHFFFAOYSA-N 0 0 289.766 3.814 50 0 CHAARN Cc1cc([C@H]2CCCN2Cc2cc(F)ccc2F)on1 ZINC000035511236 172242362 /nfs/dbraw/zinc/24/23/62/172242362.db2.gz XGVUHKVTZSJGOZ-CQSZACIVSA-N 0 0 278.302 3.598 50 0 CHAARN CC[C@H](C)NC(=O)c1ccc(-c2ccc(C)cc2)nc1 ZINC000035514797 172242975 /nfs/dbraw/zinc/24/29/75/172242975.db2.gz VRJADQQTAQRDAS-ZDUSSCGKSA-N 0 0 268.360 3.585 50 0 CHAARN CC(=O)Nc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1 ZINC000035537808 172244075 /nfs/dbraw/zinc/24/40/75/172244075.db2.gz QDOQUOYEHPZUMZ-UHFFFAOYSA-N 0 0 293.326 3.670 50 0 CHAARN Cc1cccc(NC(=O)Cc2cn(C)c3ccccc23)c1C ZINC000035588298 172287228 /nfs/dbraw/zinc/28/72/28/172287228.db2.gz PHINBBNWAWSGPJ-UHFFFAOYSA-N 0 0 292.382 3.976 50 0 CHAARN Cc1ccc(C)c(C(=O)NC[C@@H](C)N(C)c2ccccc2)c1 ZINC000036390693 172629620 /nfs/dbraw/zinc/62/96/20/172629620.db2.gz DJTQUNQIMAJPIL-MRXNPFEDSA-N 0 0 296.414 3.558 50 0 CHAARN COc1cc(Cl)c(Cl)cc1Br ZINC000036532750 172638646 /nfs/dbraw/zinc/63/86/46/172638646.db2.gz IEZHVGNFWIYKRH-UHFFFAOYSA-N 0 0 255.926 3.765 50 0 CHAARN CCCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000036625145 172643071 /nfs/dbraw/zinc/64/30/71/172643071.db2.gz AGHRXECWULIGPF-LLVKDONJSA-N 0 0 269.797 3.793 50 0 CHAARN Cc1nc(CSc2ccc(-c3ccco3)nn2)cs1 ZINC000036652422 172644934 /nfs/dbraw/zinc/64/49/34/172644934.db2.gz HNCVHDZRPXAESW-UHFFFAOYSA-N 0 0 289.385 3.794 50 0 CHAARN Cc1noc(C)c1CSc1ccc(N)cc1Cl ZINC000037205000 173026647 /nfs/dbraw/zinc/02/66/47/173026647.db2.gz GFBMXJHIKMONJX-UHFFFAOYSA-N 0 0 268.769 3.819 50 0 CHAARN C[C@H]1C[C@@H](C(=O)NCC2CCCCC2)c2ccccc2N1 ZINC000037260070 173069790 /nfs/dbraw/zinc/06/97/90/173069790.db2.gz IBMRHXQNKOLFAK-XJKSGUPXSA-N 0 0 286.419 3.671 50 0 CHAARN Oc1cccc(OCc2cccc(C(F)(F)F)c2)c1 ZINC000037324291 173124921 /nfs/dbraw/zinc/12/49/21/173124921.db2.gz HWQRNZGCIDGVFW-UHFFFAOYSA-N 0 0 268.234 3.990 50 0 CHAARN COc1ncccc1CNc1ccnc2cc(Cl)ccc21 ZINC000037396835 173176759 /nfs/dbraw/zinc/17/67/59/173176759.db2.gz GIBLIYWCSVXOMH-UHFFFAOYSA-N 0 0 299.761 3.904 50 0 CHAARN CNc1ccc(Br)cc1C(F)(F)F ZINC000037461657 173224886 /nfs/dbraw/zinc/22/48/86/173224886.db2.gz YYJZCLAEDZIIRR-UHFFFAOYSA-N 0 0 254.049 3.510 50 0 CHAARN Cc1c(Cl)c(Br)cc2cccnc12 ZINC000038537061 174144644 /nfs/dbraw/zinc/14/46/44/174144644.db2.gz QWMCRDQMAVQABM-UHFFFAOYSA-N 0 0 256.530 3.959 50 0 CHAARN COC(=O)c1cc(Cl)c2ccc(Cl)c(C)c2n1 ZINC000038537288 174144946 /nfs/dbraw/zinc/14/49/46/174144946.db2.gz YCODGLFIKPZDTK-UHFFFAOYSA-N 0 0 270.115 3.637 50 0 CHAARN CCOc1cc(C)c2cc(Br)ccc2n1 ZINC000038537434 174145347 /nfs/dbraw/zinc/14/53/47/174145347.db2.gz RISONBQHKATDEZ-UHFFFAOYSA-N 0 0 266.138 3.704 50 0 CHAARN CC[C@@H](C(=O)NCc1ccsc1)c1ccccc1 ZINC000038586203 174148664 /nfs/dbraw/zinc/14/86/64/174148664.db2.gz LGCWQWKYMUVRNL-CQSZACIVSA-N 0 0 259.374 3.558 50 0 CHAARN CC(C)[C@H](C)NC(=O)Nc1ccc(Br)cc1 ZINC000040023864 174183034 /nfs/dbraw/zinc/18/30/34/174183034.db2.gz JTOXRPOHHVXJSU-VIFPVBQESA-N 0 0 285.185 3.615 50 0 CHAARN CCC[C@@H](C)NC(=O)Nc1ccc(F)c(Cl)c1 ZINC000040023790 174183270 /nfs/dbraw/zinc/18/32/70/174183270.db2.gz BFCHPTPWUBHWOH-MRVPVSSYSA-N 0 0 258.724 3.789 50 0 CHAARN Cc1ccc(C(=O)N(Cc2ccco2)C2CC2)cc1C ZINC000040060348 174185527 /nfs/dbraw/zinc/18/55/27/174185527.db2.gz RYHXFFIPCNEGJP-UHFFFAOYSA-N 0 0 269.344 3.701 50 0 CHAARN C[C@@H]1CCC[C@H](NC(=O)CSCc2cccs2)C1 ZINC000040069681 174186238 /nfs/dbraw/zinc/18/62/38/174186238.db2.gz CRYNPAGUYNLJCD-NEPJUHHUSA-N 0 0 283.462 3.676 50 0 CHAARN CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CCc1ccco1 ZINC000040069676 174186340 /nfs/dbraw/zinc/18/63/40/174186340.db2.gz YOUKBZMCKWXWQU-LSDHHAIUSA-N 0 0 277.408 3.933 50 0 CHAARN O=C(Nc1ccccc1Br)NC1CCCC1 ZINC000040095191 174189863 /nfs/dbraw/zinc/18/98/63/174189863.db2.gz SCABVWJSSIYBHA-UHFFFAOYSA-N 0 0 283.169 3.513 50 0 CHAARN CC(C)[C@@H](C)NC(=O)Nc1ccccc1C(F)(F)F ZINC000040096018 174189959 /nfs/dbraw/zinc/18/99/59/174189959.db2.gz CXCBQAWLCGGTBS-SECBINFHSA-N 0 0 274.286 3.871 50 0 CHAARN CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000040103359 174190491 /nfs/dbraw/zinc/19/04/91/174190491.db2.gz YLZJTBMMQDYCSU-UHFFFAOYSA-N 0 0 280.371 3.839 50 0 CHAARN CCOc1ccccc1NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000040098758 174190743 /nfs/dbraw/zinc/19/07/43/174190743.db2.gz UOBCFQVJANXFPI-LBPRGKRZSA-N 0 0 288.347 3.869 50 0 CHAARN O=C(NCCc1cccs1)Nc1ccc2c(c1)CCC2 ZINC000040103356 174190839 /nfs/dbraw/zinc/19/08/39/174190839.db2.gz BUKOZFFRKBUMDW-UHFFFAOYSA-N 0 0 286.400 3.601 50 0 CHAARN Cc1ccc(NC(=O)NCCc2ccccc2F)cc1F ZINC000040098014 174190890 /nfs/dbraw/zinc/19/08/90/174190890.db2.gz AAHASHDQJWXYKY-UHFFFAOYSA-N 0 0 290.313 3.637 50 0 CHAARN CC(C)Oc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 ZINC000040122333 174193431 /nfs/dbraw/zinc/19/34/31/174193431.db2.gz JIBIVPWCDCISOP-CYBMUJFWSA-N 0 0 259.349 3.769 50 0 CHAARN Oc1cccc2ccc(/C=C/c3cccc4c3OCO4)nc12 ZINC000040139761 174194155 /nfs/dbraw/zinc/19/41/55/174194155.db2.gz FGQXMYHRMCMJEM-CSKARUKUSA-N 0 0 291.306 3.840 50 0 CHAARN CC(C)(C)c1nc(CN2CCC(c3ccccc3)CC2)no1 ZINC000040153462 174194522 /nfs/dbraw/zinc/19/45/22/174194522.db2.gz HIMDNUATGWBORL-UHFFFAOYSA-N 0 0 299.418 3.747 50 0 CHAARN CCCCCN(C(=O)NCc1cccc(OC)c1)C(C)C ZINC000040150046 174195091 /nfs/dbraw/zinc/19/50/91/174195091.db2.gz HYJSZUZUOGTLBK-UHFFFAOYSA-N 0 0 292.423 3.805 50 0 CHAARN CCCN(Cc1ccccc1)C(=O)Cc1cccc(F)c1 ZINC000040160490 174195290 /nfs/dbraw/zinc/19/52/90/174195290.db2.gz NHXWTLNDOJNEBC-UHFFFAOYSA-N 0 0 285.362 3.807 50 0 CHAARN CC(C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000040159717 174195403 /nfs/dbraw/zinc/19/54/03/174195403.db2.gz DENPJWBNGFTZHC-MRVPVSSYSA-N 0 0 260.164 3.827 50 0 CHAARN O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CC=CCC1 ZINC000040159472 174195595 /nfs/dbraw/zinc/19/55/95/174195595.db2.gz DCSGQHIZXFMOGN-CYBMUJFWSA-N 0 0 297.320 3.720 50 0 CHAARN C[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1ccccn1 ZINC000040159800 174195639 /nfs/dbraw/zinc/19/56/39/174195639.db2.gz DTXAJMVTGJVCEP-LLVKDONJSA-N 0 0 286.400 3.513 50 0 CHAARN CC(C)OCCCNc1ncc(C(F)(F)F)cc1Cl ZINC000040160644 174195938 /nfs/dbraw/zinc/19/59/38/174195938.db2.gz AIZWBVCTVGRZAS-UHFFFAOYSA-N 0 0 296.720 3.981 50 0 CHAARN CC(C)(C)OC(=O)N1CCC(c2c(O)cccc2F)CC1 ZINC000040450096 174265980 /nfs/dbraw/zinc/26/59/80/174265980.db2.gz CMSDEXYWZHZUFX-UHFFFAOYSA-N 0 0 295.354 3.646 50 0 CHAARN CC[C@H]1c2ccsc2CCN1C(=O)C1CCCC1 ZINC000040467695 174276494 /nfs/dbraw/zinc/27/64/94/174276494.db2.gz WPMOTJPMXLTOMO-ZDUSSCGKSA-N 0 0 263.406 3.774 50 0 CHAARN C[C@H](NC(=O)N(C)Cc1ccsc1)c1ccccc1 ZINC000040477819 174283114 /nfs/dbraw/zinc/28/31/14/174283114.db2.gz JNMAECDXECIYGT-LBPRGKRZSA-N 0 0 274.389 3.651 50 0 CHAARN Clc1snnc1CSc1ncccc1Cl ZINC000040493683 174293391 /nfs/dbraw/zinc/29/33/91/174293391.db2.gz KUCIHCLGDHEGJL-UHFFFAOYSA-N 0 0 278.189 3.532 50 0 CHAARN O=C(C[C@@H]1C=CCC1)N(Cc1cccs1)C1CC1 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Cc1cccc(OCCCCC(=O)Nc2ncccc2C)c1 ZINC000057427172 175596263 /nfs/dbraw/zinc/59/62/63/175596263.db2.gz KQYKSGOLVROVDM-UHFFFAOYSA-N 0 0 298.386 3.886 50 0 CHAARN CCCCN1Cc2ccccc2C[C@H]1c1nnc(CC)o1 ZINC000058433524 175625075 /nfs/dbraw/zinc/62/50/75/175625075.db2.gz UBLLTNPPVOOXDH-HNNXBMFYSA-N 0 0 285.391 3.532 50 0 CHAARN Cc1ccsc1C(=O)N1CCC[C@H]1c1c(C)noc1C ZINC000064555722 175695838 /nfs/dbraw/zinc/69/58/38/175695838.db2.gz SLGXTUMQISHNMF-LBPRGKRZSA-N 0 0 290.388 3.639 50 0 CHAARN Cc1ccccc1NC(=O)c1ccc2c(c1)nnn2C(C)C ZINC000064818462 175698727 /nfs/dbraw/zinc/69/87/27/175698727.db2.gz FCHNTXAYGZECIX-UHFFFAOYSA-N 0 0 294.358 3.573 50 0 CHAARN Cc1oc(C(C)C)nc1C(=O)Nc1ccc(C)cc1C ZINC000065293434 175708730 /nfs/dbraw/zinc/70/87/30/175708730.db2.gz QZDBBYOSCRSHKK-UHFFFAOYSA-N 0 0 272.348 3.976 50 0 CHAARN Cc1ccc([C@@H]2CCCN2C(=O)NCCC(C)C)cc1 ZINC000065322523 175709043 /nfs/dbraw/zinc/70/90/43/175709043.db2.gz KWONCPWIGOCOGU-INIZCTEOSA-N 0 0 274.408 3.888 50 0 CHAARN CC(C)(C)[C@H]1COC(c2ccccc2Br)=N1 ZINC000065337226 175709525 /nfs/dbraw/zinc/70/95/25/175709525.db2.gz NJQJYOLYDOCZGX-LLVKDONJSA-N 0 0 282.181 3.641 50 0 CHAARN Cc1sc2ncnc(N[C@H](C)Cc3ccncc3)c2c1C ZINC000065506233 175744902 /nfs/dbraw/zinc/74/49/02/175744902.db2.gz WGNCDVRIIUYZTQ-SNVBAGLBSA-N 0 0 298.415 3.746 50 0 CHAARN CC(C)c1cc(-c2ccc(O)cc2)nc(C(F)(F)F)n1 ZINC000067561481 175777921 /nfs/dbraw/zinc/77/79/21/175777921.db2.gz KPVPURKZAPMYMZ-UHFFFAOYSA-N 0 0 282.265 3.991 50 0 CHAARN Cc1cccc(-c2cn([C@H]3CCCc4ccccc43)nn2)n1 ZINC000067691948 175784471 /nfs/dbraw/zinc/78/44/71/175784471.db2.gz AXBQVEDXAISUOO-SFHVURJKSA-N 0 0 290.370 3.574 50 0 CHAARN CC(C)[C@@H](C)CC(=O)N[C@@H](C)Cc1ccc(F)cc1 ZINC000067816329 175794268 /nfs/dbraw/zinc/79/42/68/175794268.db2.gz QECGDRKVKPHXAD-STQMWFEESA-N 0 0 265.372 3.555 50 0 CHAARN C[C@@H](O)CCn1ccnc1-c1cccc(-c2ccco2)c1 ZINC000067908520 175802008 /nfs/dbraw/zinc/80/20/08/175802008.db2.gz MZLOEMNOSUZMOM-CYBMUJFWSA-N 0 0 282.343 3.581 50 0 CHAARN 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RPINYBMINZTSNJ-UHFFFAOYSA-N 0 0 274.385 3.644 50 0 CHAARN CCCCOC(=O)CSCSC(=O)OCCCC ZINC000004582963 566911592 /nfs/dbraw/zinc/91/15/92/566911592.db2.gz UABCXZKMPOSKHD-UHFFFAOYSA-N 0 0 294.438 3.690 50 0 CHAARN COc1ccc(NC(=O)Oc2ccc(C(C)=O)cc2)cc1 ZINC000001751315 566912140 /nfs/dbraw/zinc/91/21/40/566912140.db2.gz PGFCROQFLRQPQJ-UHFFFAOYSA-N 0 0 285.299 3.509 50 0 CHAARN Nc1c2ccccc2sc1C(=O)c1ccccc1 ZINC000034459016 566914973 /nfs/dbraw/zinc/91/49/73/566914973.db2.gz PNQXXUJEXCCYND-UHFFFAOYSA-N 0 0 253.326 3.715 50 0 CHAARN Cc1ccc(Oc2ccc(-c3cc(CO)no3)cc2)cc1 ZINC000043573887 566917445 /nfs/dbraw/zinc/91/74/45/566917445.db2.gz ZNSTYYBMGQPQJE-UHFFFAOYSA-N 0 0 281.311 3.935 50 0 CHAARN CCn1ccc(=Nc2ccc(N(C)C)cc2)c2ccccc21 ZINC000254295198 566923438 /nfs/dbraw/zinc/92/34/38/566923438.db2.gz RCSVDCBTVSJBPQ-UHFFFAOYSA-N 0 0 291.398 3.960 50 0 CHAARN CCCCCNC(=O)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000012907881 566927891 /nfs/dbraw/zinc/92/78/91/566927891.db2.gz OTGABNARCQNLQJ-UHFFFAOYSA-N 0 0 290.407 3.591 50 0 CHAARN Cc1c(NC(=O)c2ccco2)cnn1-c1cc(C)ccc1C ZINC000151827672 566928165 /nfs/dbraw/zinc/92/81/65/566928165.db2.gz QGIRNQYFEGWFBN-UHFFFAOYSA-N 0 0 295.342 3.643 50 0 CHAARN Fc1ccc(Cc2nnc(Cl)c3c2CCCC3)cc1 ZINC000088261278 566929976 /nfs/dbraw/zinc/92/99/76/566929976.db2.gz HRPFZHIPDSVSIK-UHFFFAOYSA-N 0 0 276.742 3.739 50 0 CHAARN C[C@H](N(C)C(=O)c1cc(-c2ccccc2)on1)C1(C)CC1 ZINC000075108228 566935298 /nfs/dbraw/zinc/93/52/98/566935298.db2.gz FMYXAZUYKURYDB-LBPRGKRZSA-N 0 0 284.359 3.602 50 0 CHAARN CC(C)CC(C)(C)C(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000075108562 566936353 /nfs/dbraw/zinc/93/63/53/566936353.db2.gz XTJNCPHWADIBFA-LLVKDONJSA-N 0 0 295.427 3.617 50 0 CHAARN CN(Cc1cnn(-c2ccccc2)c1)c1ccncc1Cl ZINC000075103586 566936663 /nfs/dbraw/zinc/93/66/63/566936663.db2.gz PVUVJGRLLBEYGX-UHFFFAOYSA-N 0 0 298.777 3.557 50 0 CHAARN Cc1cc(-c2nnc(Nc3ccc(Cl)cc3)s2)no1 ZINC000075260297 566937571 /nfs/dbraw/zinc/93/75/71/566937571.db2.gz ROILFMAMIGRYTA-UHFFFAOYSA-N 0 0 292.751 3.899 50 0 CHAARN CC(=O)N1N=C(c2cccs2)C[C@H]1c1cscc1C ZINC000075149019 566938062 /nfs/dbraw/zinc/93/80/62/566938062.db2.gz QSTVITADOTZZHM-ZDUSSCGKSA-N 0 0 290.413 3.816 50 0 CHAARN C[C@@H]1CC(=O)c2ccc(C(=O)c3ccc(Cl)cc3)n21 ZINC000075260171 566938544 /nfs/dbraw/zinc/93/85/44/566938544.db2.gz FYNTYZNVFQFLLO-SECBINFHSA-N 0 0 273.719 3.520 50 0 CHAARN COc1ccc(CCCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000075284434 566939868 /nfs/dbraw/zinc/93/98/68/566939868.db2.gz IXYZJCUDPAWHPW-WMLDXEAASA-N 0 0 289.419 3.713 50 0 CHAARN CCOc1ccccc1C(=O)OC/C=C/c1ccccc1 ZINC000075273638 566940145 /nfs/dbraw/zinc/94/01/45/566940145.db2.gz WWIZMPLBUQRDRV-DHZHZOJOSA-N 0 0 282.339 3.956 50 0 CHAARN C[C@H]1S[C@@H](c2ccccc2)N(c2ccccc2)C1=O ZINC000001560292 566942046 /nfs/dbraw/zinc/94/20/46/566942046.db2.gz HMZGRFPANBVBFF-WBMJQRKESA-N 0 0 269.369 3.854 50 0 CHAARN C[C@H](Cc1csc2ccccc12)NC(=O)CC1CC1 ZINC000575606065 566944144 /nfs/dbraw/zinc/94/41/44/566944144.db2.gz JSBYVCWSTASIOX-LLVKDONJSA-N 0 0 273.401 3.749 50 0 CHAARN Cc1csc(C(=O)NCc2cncc(-c3ccoc3)c2)c1 ZINC000575620788 566948335 /nfs/dbraw/zinc/94/83/35/566948335.db2.gz QARCQFPJSRDELL-UHFFFAOYSA-N 0 0 298.367 3.642 50 0 CHAARN O=C(CCc1cccc2[nH]ccc21)NCc1cccc(F)c1 ZINC000075550421 566971083 /nfs/dbraw/zinc/97/10/83/566971083.db2.gz FOCTWYHCCLBXAD-UHFFFAOYSA-N 0 0 296.345 3.556 50 0 CHAARN Cc1ccc2c(c1)[C@H]1OCC[C@@H]1[C@H](c1ccco1)N2 ZINC000003905472 566974578 /nfs/dbraw/zinc/97/45/78/566974578.db2.gz JRMFPRLCQZRNAX-LYRGGWFBSA-N 0 0 255.317 3.832 50 0 CHAARN Cc1c(C)c2ccc(OC(=O)c3ccco3)c(C)c2oc1=O ZINC000000316974 566974685 /nfs/dbraw/zinc/97/46/85/566974685.db2.gz UEJFUAHBSHPZBD-UHFFFAOYSA-N 0 0 298.294 3.530 50 0 biogenic CHAARN Cc1c(C)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 ZINC000002126888 566975270 /nfs/dbraw/zinc/97/52/70/566975270.db2.gz FODKCDRLHQWYJR-UHFFFAOYSA-N 0 0 258.317 3.513 50 0 biogenic CHAARN Cc1ccc(-c2nnc(CO[C@@H]3CCC[C@@H](C)C3)o2)o1 ZINC000521393916 566976575 /nfs/dbraw/zinc/97/65/75/566976575.db2.gz DUIRTUCVOALGLO-ZYHUDNBSSA-N 0 0 276.336 3.733 50 0 CHAARN c1ccc([C@@H]2Nc3ccccc3[C@@H]3OCC[C@@H]32)cc1 ZINC000012661677 566977581 /nfs/dbraw/zinc/97/75/81/566977581.db2.gz LZVNOMSZAGXFQZ-PVAVHDDUSA-N 0 0 251.329 3.931 50 0 biogenic CHAARN CC[C@@H](NC(=O)CCC(C)(C)C)c1ccc(C)cn1 ZINC000426382587 566988663 /nfs/dbraw/zinc/98/86/63/566988663.db2.gz BXEYBQAXURNODY-CYBMUJFWSA-N 0 0 262.397 3.784 50 0 CHAARN Cc1ccc([C@H]2CCCN2C(=O)Cc2ccsc2)cc1 ZINC000064579848 566982134 /nfs/dbraw/zinc/98/21/34/566982134.db2.gz DCNNTZQZVIGKER-MRXNPFEDSA-N 0 0 285.412 3.963 50 0 CHAARN CCSc1nccn2nc(-c3cccc(OC)c3)cc12 ZINC000064580842 566982841 /nfs/dbraw/zinc/98/28/41/566982841.db2.gz HLTUZVFAWGGREL-UHFFFAOYSA-N 0 0 285.372 3.517 50 0 CHAARN CON(CCC(C)C)Cc1nc(-c2ccco2)oc1C ZINC000089548163 566985167 /nfs/dbraw/zinc/98/51/67/566985167.db2.gz AXXAVYLTASQIBO-UHFFFAOYSA-N 0 0 278.352 3.653 50 0 CHAARN Cc1ccc(NC(=O)Nc2ccccn2)cc1Cl ZINC000004542387 566986120 /nfs/dbraw/zinc/98/61/20/566986120.db2.gz ORPBERMLRZCXSU-UHFFFAOYSA-N 0 0 261.712 3.687 50 0 CHAARN Cn1ncc2cc(-c3ccc(F)c4cccnc43)ccc21 ZINC000426545392 566987947 /nfs/dbraw/zinc/98/79/47/566987947.db2.gz UDNNWZLVXGXGJV-UHFFFAOYSA-N 0 0 277.302 3.928 50 0 CHAARN Fc1ccc(-c2cccc3ccnn32)c2ncccc12 ZINC000426518346 566988179 /nfs/dbraw/zinc/98/81/79/566988179.db2.gz PWGOLXAIGCXSLT-UHFFFAOYSA-N 0 0 263.275 3.689 50 0 CHAARN CC(C)CCNC(=O)c1ccc(-c2cccc(F)c2)nc1 ZINC000064668981 566991498 /nfs/dbraw/zinc/99/14/98/566991498.db2.gz SAQGNRGDKZJLID-UHFFFAOYSA-N 0 0 286.350 3.664 50 0 CHAARN CCCCOc1ccc(C)cc1-c1cnc2nnc(C)n2c1 ZINC000426606835 566991790 /nfs/dbraw/zinc/99/17/90/566991790.db2.gz ZAMYGRDROSZFFW-UHFFFAOYSA-N 0 0 296.374 3.587 50 0 CHAARN CCc1nc(-c2ccc(C(=O)N[C@@H](C)CC)cc2)cs1 ZINC000064677404 566993097 /nfs/dbraw/zinc/99/30/97/566993097.db2.gz PUMFBGOPHUGDEE-NSHDSACASA-N 0 0 288.416 3.901 50 0 CHAARN CCOc1ccc(Nc2nc(C)nc3onc(CC)c32)cc1 ZINC000064837327 566994808 /nfs/dbraw/zinc/99/48/08/566994808.db2.gz YYWKOYDTCICDAU-UHFFFAOYSA-N 0 0 298.346 3.631 50 0 CHAARN CCOC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000001648327 566996040 /nfs/dbraw/zinc/99/60/40/566996040.db2.gz ATIPBKCFGLKIGH-UHFFFAOYSA-N 0 0 255.317 3.850 50 0 CHAARN CCN(CC)C(=O)c1cncc(-c2cc(F)cc(F)c2)c1 ZINC000036349025 566996794 /nfs/dbraw/zinc/99/67/94/566996794.db2.gz JOVXFEBCZVLVHD-UHFFFAOYSA-N 0 0 290.313 3.509 50 0 CHAARN COc1cccc(-c2cncc(C(=O)NCCC(C)C)c2)c1 ZINC000036346992 566997307 /nfs/dbraw/zinc/99/73/07/566997307.db2.gz UCZJIBCDMJCDKR-UHFFFAOYSA-N 0 0 298.386 3.533 50 0 CHAARN O=C(Nc1cccc(Cl)c1)N1CCOc2ccccc21 ZINC000006842483 566998234 /nfs/dbraw/zinc/99/82/34/566998234.db2.gz CWPDTMDHCBTOEQ-UHFFFAOYSA-N 0 0 288.734 3.771 50 0 CHAARN CCN(CC)C(=O)c1sc(-c2ccc(C)o2)nc1C ZINC000036397588 567001391 /nfs/dbraw/zinc/00/13/91/567001391.db2.gz HPXDUZUNNYSGLQ-UHFFFAOYSA-N 0 0 278.377 3.502 50 0 CHAARN Fc1ccc(-c2nc(CSc3ccccn3)no2)cc1 ZINC000036397617 567001488 /nfs/dbraw/zinc/00/14/88/567001488.db2.gz CUOJSQPZNNTGOF-UHFFFAOYSA-N 0 0 287.319 3.563 50 0 CHAARN O=C(Nc1ccc(F)cc1)N1CCSc2ccccc21 ZINC000006876871 567001613 /nfs/dbraw/zinc/00/16/13/567001613.db2.gz DJUZDMCOVJOTBZ-UHFFFAOYSA-N 0 0 288.347 3.970 50 0 CHAARN c1csc([C@H](N[C@H]2CCCc3occc32)C2CC2)n1 ZINC000192903842 567002364 /nfs/dbraw/zinc/00/23/64/567002364.db2.gz SICGSGZFDXLPNE-GXTWGEPZSA-N 0 0 274.389 3.854 50 0 CHAARN CC(C)SCC(=O)Nc1ncc(-c2ccccc2)s1 ZINC000036398063 567002404 /nfs/dbraw/zinc/00/24/04/567002404.db2.gz BMOKSCIGDCFWHA-UHFFFAOYSA-N 0 0 292.429 3.890 50 0 CHAARN C[C@@H](Nc1ccc(N2CCCC2=O)cn1)c1cccc(F)c1 ZINC000170067551 567005554 /nfs/dbraw/zinc/00/55/54/567005554.db2.gz TYIPDJNJOONSJT-GFCCVEGCSA-N 0 0 299.349 3.521 50 0 CHAARN Cc1ccc([C@H]2CCCN2C(=O)NCCC(C)C)cc1 ZINC000065322524 567006519 /nfs/dbraw/zinc/00/65/19/567006519.db2.gz KWONCPWIGOCOGU-MRXNPFEDSA-N 0 0 274.408 3.888 50 0 CHAARN Cc1ccc(F)cc1NC(=O)N(Cc1ccncc1)C1CC1 ZINC000065496168 567007441 /nfs/dbraw/zinc/00/74/41/567007441.db2.gz XFCZMRVCVWPGAV-UHFFFAOYSA-N 0 0 299.349 3.726 50 0 CHAARN O=C(N1CCC(=C2CC2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000238944103 567007917 /nfs/dbraw/zinc/00/79/17/567007917.db2.gz WGLTZYGKMMRDEL-UHFFFAOYSA-N 0 0 285.362 3.570 50 0 CHAARN CC(C)c1noc(CN[C@@H](c2cccs2)C(C)C)n1 ZINC000065554078 567009716 /nfs/dbraw/zinc/00/97/16/567009716.db2.gz CZAMUTVDHNVAAV-CYBMUJFWSA-N 0 0 279.409 3.741 50 0 CHAARN O=C(NCCC1=CCCCCC1)c1ccc2c(c1)CCO2 ZINC000170596746 567011528 /nfs/dbraw/zinc/01/15/28/567011528.db2.gz ORCBRTBVVVAIRE-UHFFFAOYSA-N 0 0 285.387 3.632 50 0 CHAARN CC(C)(CNc1cccc(-n2cnnc2)c1)c1ccccc1 ZINC000170591651 567011654 /nfs/dbraw/zinc/01/16/54/567011654.db2.gz IQIJTWNOKUHTBN-UHFFFAOYSA-N 0 0 292.386 3.657 50 0 CHAARN CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CC1CCCC1 ZINC000170599933 567011878 /nfs/dbraw/zinc/01/18/78/567011878.db2.gz UAPRKBALIAJFSB-CABCVRRESA-N 0 0 266.429 3.787 50 0 CHAARN CC(C)n1cc(NC(=O)c2ccc(C(F)(F)F)cc2)cn1 ZINC000065623049 567012134 /nfs/dbraw/zinc/01/21/34/567012134.db2.gz WQEVBGMPGCBPHU-UHFFFAOYSA-N 0 0 297.280 3.735 50 0 CHAARN Cc1ccc(C(C)C)cc1OCCn1nnc2ccccc21 ZINC000170594482 567012801 /nfs/dbraw/zinc/01/28/01/567012801.db2.gz ZPZXVLJEGNKUEC-UHFFFAOYSA-N 0 0 295.386 3.942 50 0 CHAARN CC(C)c1ncc(CN2CCOc3cc(F)ccc32)s1 ZINC000170606986 567014239 /nfs/dbraw/zinc/01/42/39/567014239.db2.gz JNNXYFCQUIXRGM-UHFFFAOYSA-N 0 0 292.379 3.805 50 0 CHAARN CCN(Cc1ccoc1)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000071185006 567016092 /nfs/dbraw/zinc/01/60/92/567016092.db2.gz DJEZPFOZERMUAI-UHFFFAOYSA-N 0 0 299.330 3.783 50 0 CHAARN C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NC1CCCCCC1 ZINC000170628929 567016237 /nfs/dbraw/zinc/01/62/37/567016237.db2.gz GIQUYTLZSGUQLU-YCPHGPKFSA-N 0 0 281.440 3.809 50 0 CHAARN Cc1nc(C)c(C(=O)NC(C)(C)CC(C)(C)C)s1 ZINC000042704647 567017023 /nfs/dbraw/zinc/01/70/23/567017023.db2.gz QDUWUCDPXLXGJW-UHFFFAOYSA-N 0 0 268.426 3.705 50 0 CHAARN Cc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C)cc1F ZINC000013320159 567017310 /nfs/dbraw/zinc/01/73/10/567017310.db2.gz KUZXKEFDNDUSAQ-RISCZKNCSA-N 0 0 264.344 3.834 50 0 CHAARN O=C(CCc1cccc(Cl)c1)NCc1ccsc1 ZINC000042930760 567018144 /nfs/dbraw/zinc/01/81/44/567018144.db2.gz BHBWEJXZLTWRLA-UHFFFAOYSA-N 0 0 279.792 3.651 50 0 CHAARN CSc1cccc(NC(=O)N2CCC[C@@H](C)C2)c1 ZINC000013737207 567021043 /nfs/dbraw/zinc/02/10/43/567021043.db2.gz GIDSVIDBZDGERN-LLVKDONJSA-N 0 0 264.394 3.672 50 0 CHAARN CC[C@H](C)NC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000013746379 567021111 /nfs/dbraw/zinc/02/11/11/567021111.db2.gz JRHMYBCSGUILSG-STQMWFEESA-N 0 0 270.376 3.999 50 0 CHAARN CCCOc1cccc([C@H](C)NC(=O)N[C@H](C)CC)c1 ZINC000013745943 567021243 /nfs/dbraw/zinc/02/12/43/567021243.db2.gz KBAIEACSPFXPMH-OLZOCXBDSA-N 0 0 278.396 3.634 50 0 CHAARN CC[C@H](C)NC(=O)N[C@@H](CC)c1ccc(C)cc1C ZINC000013745630 567021374 /nfs/dbraw/zinc/02/13/74/567021374.db2.gz AOKBCXSLXGRHMD-ZFWWWQNUSA-N 0 0 262.397 3.852 50 0 CHAARN C[C@H](NC(=O)Nc1ccccc1Cl)c1cccnc1 ZINC000013744348 567021393 /nfs/dbraw/zinc/02/13/93/567021393.db2.gz XUNWDFZBGJEOJV-JTQLQIEISA-N 0 0 275.739 3.618 50 0 CHAARN O=C1OC(c2cccs2)=N/C1=C\c1cc2ccccc2o1 ZINC000014185750 567022627 /nfs/dbraw/zinc/02/26/27/567022627.db2.gz DHWHQAQZIUFRLZ-XFXZXTDPSA-N 0 0 295.319 3.839 50 0 CHAARN CC(C)(C)C1=N/C(=C\c2ccccc2Cl)C(=O)O1 ZINC000014177338 567022839 /nfs/dbraw/zinc/02/28/39/567022839.db2.gz LZQFXFNHCZCSEE-FLIBITNWSA-N 0 0 263.724 3.682 50 0 CHAARN Cc1cc(C)c(C)c(Sc2ncnc3c2cnn3C)c1C ZINC000014216565 567022920 /nfs/dbraw/zinc/02/29/20/567022920.db2.gz XGEJIAAMBASEFZ-UHFFFAOYSA-N 0 0 298.415 3.748 50 0 CHAARN CC(C)(C)c1csc(Cn2ccnc2-c2ccccn2)n1 ZINC000089725252 567025405 /nfs/dbraw/zinc/02/54/05/567025405.db2.gz MGINJOPEZYGKMF-UHFFFAOYSA-N 0 0 298.415 3.747 50 0 CHAARN Cc1nc(C(C)(C)NCc2ncc(C(C)C)o2)sc1C ZINC000076091438 567029547 /nfs/dbraw/zinc/02/95/47/567029547.db2.gz QATGNUWKCAAWIV-UHFFFAOYSA-N 0 0 293.436 3.896 50 0 CHAARN CCC[C@@H]1SCCN1C(=O)/C=C/c1c(F)cccc1F ZINC000076017308 567028681 /nfs/dbraw/zinc/02/86/81/567028681.db2.gz PMMPAUCGCVNNPL-KIUWMYQTSA-N 0 0 297.370 3.680 50 0 CHAARN CCC(CC)n1ccc(C(=O)O[C@@H](C)c2ccccn2)n1 ZINC000089943256 567029595 /nfs/dbraw/zinc/02/95/95/567029595.db2.gz RCGDILYAZCALRE-LBPRGKRZSA-N 0 0 287.363 3.557 50 0 CHAARN COCCS[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000089913772 567030341 /nfs/dbraw/zinc/03/03/41/567030341.db2.gz OUDVRWAOZKHWRP-LLVKDONJSA-N 0 0 263.362 3.782 50 0 CHAARN CCCc1cc(C(=O)N[C@H](CC)[C@H]2CCCO2)sc1C ZINC000089960445 567033823 /nfs/dbraw/zinc/03/38/23/567033823.db2.gz DNOAOLNRBMLMCM-ZIAGYGMSSA-N 0 0 295.448 3.696 50 0 CHAARN Cc1cc(=O)oc2cc(OCc3ccccc3F)ccc12 ZINC000000038262 567034614 /nfs/dbraw/zinc/03/46/14/567034614.db2.gz UAOGUGZBMPTXGO-UHFFFAOYSA-N 0 0 284.286 3.820 50 0 biogenic,in-vitro CHAARN COc1ccc(-c2nc3ccccc3s2)cc1OC(C)=O ZINC000002874666 567036945 /nfs/dbraw/zinc/03/69/45/567036945.db2.gz ZVVMDEADDSEGDL-UHFFFAOYSA-N 0 0 299.351 3.897 50 0 CHAARN CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(C)c1 ZINC000002873943 567037326 /nfs/dbraw/zinc/03/73/26/567037326.db2.gz DPUHLSJUSLJJKJ-KRWDZBQOSA-N 0 0 267.372 3.746 50 0 CHAARN CN(C)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000027106142 567037387 /nfs/dbraw/zinc/03/73/87/567037387.db2.gz QJXCRGMUOGLQJP-UHFFFAOYSA-N 0 0 277.408 3.689 50 0 CHAARN CCn1cc(C(=O)Nc2c(C)ccc3ccccc32)cn1 ZINC000095417367 567039253 /nfs/dbraw/zinc/03/92/53/567039253.db2.gz YZVVOSMHVVNELE-UHFFFAOYSA-N 0 0 279.343 3.617 50 0 CHAARN COc1ccc([C@H]2CCCCN(C(=O)CC3CC3)C2)cc1 ZINC000208004351 567051182 /nfs/dbraw/zinc/05/11/82/567051182.db2.gz CHBQZVVJNBNTHI-INIZCTEOSA-N 0 0 287.403 3.591 50 0 CHAARN CCN1c2cc(NC(C)=O)ccc2[C@H](C)CC1(C)C ZINC000000173625 567054098 /nfs/dbraw/zinc/05/40/98/567054098.db2.gz SXPXTTKGVYQPAM-LLVKDONJSA-N 0 0 260.381 3.757 50 0 CHAARN CCCN(CCC)C(=O)Nc1ccccc1Cl ZINC000000396322 567054826 /nfs/dbraw/zinc/05/48/26/567054826.db2.gz MIUWTXDHBFQUEZ-UHFFFAOYSA-N 0 0 254.761 3.994 50 0 CHAARN CC(C)CC(=O)NCC[C@@H](c1ccco1)c1ccccc1 ZINC000002134521 567055829 /nfs/dbraw/zinc/05/58/29/567055829.db2.gz PVCSGVQIZWAYMV-MRXNPFEDSA-N 0 0 285.387 3.964 50 0 biogenic CHAARN C[C@@H](O)[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000003127990 567058420 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C[C@H](c1ccncc1)N(C)Cc1ccc(F)cc1F ZINC000067716154 567196396 /nfs/dbraw/zinc/19/63/96/567196396.db2.gz XTLCLGNQSDHOKD-LLVKDONJSA-N 0 0 262.303 3.553 50 0 CHAARN CCCNC(=O)/C=C/c1cc2cc(Cl)ccc2o1 ZINC000067339237 567197437 /nfs/dbraw/zinc/19/74/37/567197437.db2.gz BGZLWCDOFBSVGY-GQCTYLIASA-N 0 0 263.724 3.626 50 0 CHAARN CC[C@H](NC(=O)c1ccc2ncccc2c1)c1ccncc1 ZINC000172875980 567198617 /nfs/dbraw/zinc/19/86/17/567198617.db2.gz GTAGJZWBYLPPTH-INIZCTEOSA-N 0 0 291.354 3.511 50 0 CHAARN CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1nccs1 ZINC000069514831 567200416 /nfs/dbraw/zinc/20/04/16/567200416.db2.gz BDCFYHGNHAVRCR-NWDGAFQWSA-N 0 0 292.791 3.563 50 0 CHAARN CC(C)N(C(=O)C1CCOCC1)c1ccc(Cl)cc1 ZINC000069566090 567202123 /nfs/dbraw/zinc/20/21/23/567202123.db2.gz NAXOYDJKMDZIDX-UHFFFAOYSA-N 0 0 281.783 3.508 50 0 CHAARN C[C@H](NC(=O)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000023976003 567212631 /nfs/dbraw/zinc/21/26/31/567212631.db2.gz WABZUPKWSXVFII-ZETCQYMHSA-N 0 0 258.148 3.581 50 0 CHAARN O=C(c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000010382545 567205164 /nfs/dbraw/zinc/20/51/64/567205164.db2.gz PRRJCRTZIOAXCP-UHFFFAOYSA-N 0 0 290.244 3.813 50 0 CHAARN CCCCNC(=O)N(C)Cc1cccc2ccccc21 ZINC000042878173 567205305 /nfs/dbraw/zinc/20/53/05/567205305.db2.gz PQJXZEDYJJBXGJ-UHFFFAOYSA-N 0 0 270.376 3.781 50 0 CHAARN Cc1ccccc1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000010286489 567205609 /nfs/dbraw/zinc/20/56/09/567205609.db2.gz SDOWKZUXPCVTMG-UHFFFAOYSA-N 0 0 296.395 3.877 50 0 CHAARN Cc1ccnc(NC(=O)c2ccc(C)c(-n3cccc3)c2)c1 ZINC000010430620 567206166 /nfs/dbraw/zinc/20/61/66/567206166.db2.gz GKNHOQRUALWNGJ-UHFFFAOYSA-N 0 0 291.354 3.741 50 0 CHAARN Cc1ccoc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000024281929 567213316 /nfs/dbraw/zinc/21/33/16/567213316.db2.gz DQTUMILGUHPFIX-GFCCVEGCSA-N 0 0 273.357 3.555 50 0 CHAARN FC(F)(F)c1nnc(Nc2ccc(Cl)cc2)s1 ZINC000000073546 567817670 /nfs/dbraw/zinc/81/76/70/567817670.db2.gz JPHOMPNOKNRQQR-UHFFFAOYSA-N 0 0 279.674 3.954 50 0 CHAARN O=C(Cc1cccs1)N1CCC(Cc2ccccc2)CC1 ZINC000000030520 567816408 /nfs/dbraw/zinc/81/64/08/567816408.db2.gz VTVHFCONMFSZDV-UHFFFAOYSA-N 0 0 299.439 3.772 50 0 CHAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2Br)C1 ZINC000000029265 567816410 /nfs/dbraw/zinc/81/64/10/567816410.db2.gz UBEUGGBRYKZSOF-QWRGUYRKSA-N 0 0 296.208 3.567 50 0 CHAARN CC(=O)c1nnn(C2CCCCC2)c1NC1CCCCC1 ZINC000000027910 567816449 /nfs/dbraw/zinc/81/64/49/567816449.db2.gz GYIYGYKUXNZAOJ-UHFFFAOYSA-N 0 0 290.411 3.731 50 0 CHAARN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000000029961 567816454 /nfs/dbraw/zinc/81/64/54/567816454.db2.gz QSXMXGTYDKFLCS-CYBMUJFWSA-N 0 0 269.344 3.576 50 0 CHAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cccnc1 ZINC000000029315 567816527 /nfs/dbraw/zinc/81/65/27/567816527.db2.gz OSNIVPSEQOLUPZ-UHFFFAOYSA-N 0 0 267.115 3.641 50 0 CHAARN Cc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)sn1 ZINC000000016912 567816597 /nfs/dbraw/zinc/81/65/97/567816597.db2.gz USFUFHFQWXDVMH-UHFFFAOYSA-N 0 0 286.360 3.587 50 0 in-vitro CHAARN CSc1ccccc1C(=O)Nc1cccc([C@H](C)O)c1 ZINC000000035212 567816637 /nfs/dbraw/zinc/81/66/37/567816637.db2.gz ULNGVBWNGWYMAV-NSHDSACASA-N 0 0 287.384 3.714 50 0 CHAARN C[C@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000000032293 567816781 /nfs/dbraw/zinc/81/67/81/567816781.db2.gz IKDCVTBVOYCVLT-WBMJQRKESA-N 0 0 297.329 3.509 50 0 CHAARN CCOC(=O)c1c(C)oc2c1cc(O)c1ccccc21 ZINC000000042653 567816850 /nfs/dbraw/zinc/81/68/50/567816850.db2.gz NAYMIPUFIQUKOS-UHFFFAOYSA-N 0 0 270.284 3.777 50 0 aggregator CHAARN Cc1ccc(-c2nnc(NC(=O)c3ccccc3)s2)cc1 ZINC000000042307 567816894 /nfs/dbraw/zinc/81/68/94/567816894.db2.gz SIHYHKOFZPWMHZ-UHFFFAOYSA-N 0 0 295.367 3.766 50 0 CHAARN O=C(Nc1ccc(Oc2ccccc2)cc1)C(F)(F)F ZINC000000046433 567816918 /nfs/dbraw/zinc/81/69/18/567816918.db2.gz XLJTYOFRVPJNSS-UHFFFAOYSA-N 0 0 281.233 3.980 50 0 CHAARN COc1ccc([C@@H](C)NC(=O)CCc2ccccc2)cc1 ZINC000000050302 567817069 /nfs/dbraw/zinc/81/70/69/567817069.db2.gz KAXRUIICQCRWFA-CQSZACIVSA-N 0 0 283.371 3.505 50 0 biogenic CHAARN O=C(Nc1cccc2cccnc21)c1cccs1 ZINC000000049777 567817135 /nfs/dbraw/zinc/81/71/35/567817135.db2.gz PAKAVLGQSUYUBE-UHFFFAOYSA-N 0 0 254.314 3.549 50 0 CHAARN Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl ZINC000000056414 567817265 /nfs/dbraw/zinc/81/72/65/567817265.db2.gz IBOFVQJTBBUKMU-UHFFFAOYSA-N 0 0 267.159 3.749 50 0 in-vitro CHAARN Cc1cccc(N2C(=O)C=C(c3ccc(Cl)cc3)C2=O)c1 ZINC000000060398 567817317 /nfs/dbraw/zinc/81/73/17/567817317.db2.gz KWOMJDGWBKLPLO-UHFFFAOYSA-N 0 0 297.741 3.605 50 0 CHAARN CC(=O)c1oc2ccccc2c1NC(=O)Cc1ccccc1 ZINC000000061030 567817365 /nfs/dbraw/zinc/81/73/65/567817365.db2.gz WEVRIXBROVWQGY-UHFFFAOYSA-N 0 0 293.322 3.817 50 0 CHAARN CCc1ccc(OC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000000070803 567817561 /nfs/dbraw/zinc/81/75/61/567817561.db2.gz FQEMOVHNAPADBV-MDWZMJQESA-N 0 0 282.339 3.876 50 0 CHAARN O=C1CS[C@@H](c2ccccc2)N1c1ccc(F)cc1 ZINC000000067281 567817648 /nfs/dbraw/zinc/81/76/48/567817648.db2.gz POFKZEIHONYHRP-HNNXBMFYSA-N 0 0 273.332 3.604 50 0 CHAARN CC(C)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000000078875 567817889 /nfs/dbraw/zinc/81/78/89/567817889.db2.gz KHKFPOIIVHCHRW-UHFFFAOYSA-N 0 0 289.400 3.635 50 0 CHAARN O=C(c1ccccc1)c1cc(F)c(F)cc1Cl ZINC000000089421 567817962 /nfs/dbraw/zinc/81/79/62/567817962.db2.gz QRXJUNFEAMJIBJ-UHFFFAOYSA-N 0 0 252.647 3.849 50 0 CHAARN CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000000095135 567818049 /nfs/dbraw/zinc/81/80/49/567818049.db2.gz RFVBDBYICMFWTI-UHFFFAOYSA-N 0 0 252.745 3.604 50 0 CHAARN Cc1cc(C)cc(NC(=O)COc2cccc(Cl)c2)c1 ZINC000000094080 567818109 /nfs/dbraw/zinc/81/81/09/567818109.db2.gz QLPVAAATHPYMGM-UHFFFAOYSA-N 0 0 289.762 3.974 50 0 CHAARN COc1ccc(CC(=O)Nc2ccccc2Cl)cc1 ZINC000000101368 567818149 /nfs/dbraw/zinc/81/81/49/567818149.db2.gz KJRLKGASEBSMIU-UHFFFAOYSA-N 0 0 275.735 3.530 50 0 biogenic CHAARN Cc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 ZINC000000103471 567818200 /nfs/dbraw/zinc/81/82/00/567818200.db2.gz JCOGQGACDSMSOT-UHFFFAOYSA-N 0 0 298.367 3.867 50 0 CHAARN CC1=CC(=O)N(c2ccc(C3CCCCC3)cc2)C1=O ZINC000000100407 567818261 /nfs/dbraw/zinc/81/82/61/567818261.db2.gz LFBIENRIJJGHQO-UHFFFAOYSA-N 0 0 269.344 3.554 50 0 CHAARN CCOc1ccc2c(c1)occ(-c1ccccc1OC)c2=O ZINC000000101390 567818366 /nfs/dbraw/zinc/81/83/66/567818366.db2.gz ZLDNPPFBCBFEAD-UHFFFAOYSA-N 0 0 296.322 3.867 50 0 biogenic CHAARN O=C(Nc1ccccc1)c1ncoc1-c1ccccc1 ZINC000000107206 567818463 /nfs/dbraw/zinc/81/84/63/567818463.db2.gz QZHYXBRLJHISAC-UHFFFAOYSA-N 0 0 264.284 3.594 50 0 CHAARN CC(C)(C)c1cc2ncnc(N3CCCCC3)c2s1 ZINC000000117054 567818733 /nfs/dbraw/zinc/81/87/33/567818733.db2.gz DSNNQOCJABHCJV-UHFFFAOYSA-N 0 0 275.421 3.979 50 0 CHAARN Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000000115849 567818775 /nfs/dbraw/zinc/81/87/75/567818775.db2.gz WXXIGOUTTGOBQI-UHFFFAOYSA-N 0 0 259.161 3.623 50 0 CHAARN O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000000121318 567818869 /nfs/dbraw/zinc/81/88/69/567818869.db2.gz DHWRCPDVZHVFHM-UHFFFAOYSA-N 0 0 267.662 3.871 50 0 CHAARN COc1ccccc1CC(=O)Nc1ccccc1C(C)C ZINC000000121838 567819167 /nfs/dbraw/zinc/81/91/67/567819167.db2.gz BSAJMTZEZNRWPF-UHFFFAOYSA-N 0 0 283.371 4.000 50 0 CHAARN O=C(CSc1cccs1)Nc1ccc(F)cc1F ZINC000000125000 567819186 /nfs/dbraw/zinc/81/91/86/567819186.db2.gz NEKLHTOBPZMDFN-UHFFFAOYSA-N 0 0 285.340 3.757 50 0 CHAARN CCc1ccc(NC(=O)COc2ccccc2C)cc1 ZINC000000130095 567819291 /nfs/dbraw/zinc/81/92/91/567819291.db2.gz XVRJFRUPDXHBAU-UHFFFAOYSA-N 0 0 269.344 3.575 50 0 CHAARN Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000000133096 567819472 /nfs/dbraw/zinc/81/94/72/567819472.db2.gz GXIYCSNSKFMPFT-UHFFFAOYSA-N 0 0 251.285 3.994 50 0 CHAARN COc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000137690 567819770 /nfs/dbraw/zinc/81/97/70/567819770.db2.gz WXOLHSJCZPQNRX-UHFFFAOYSA-N 0 0 276.723 3.993 50 0 CHAARN O=C(Nc1ccccc1C(F)(F)F)c1ccco1 ZINC000000136925 567819855 /nfs/dbraw/zinc/81/98/55/567819855.db2.gz BXUIEAMWAIXJIY-UHFFFAOYSA-N 0 0 255.195 3.551 50 0 CHAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(O)cc1 ZINC000000145880 567820003 /nfs/dbraw/zinc/82/00/03/567820003.db2.gz ZSJWUXBVPSJEEO-UHFFFAOYSA-N 0 0 282.126 3.951 50 0 CHAARN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000000143564 567820064 /nfs/dbraw/zinc/82/00/64/567820064.db2.gz OQYSDZCKDSRSTB-UHFFFAOYSA-N 0 0 295.791 3.758 50 0 CHAARN O=C(CSCc1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000000148683 567820281 /nfs/dbraw/zinc/82/02/81/567820281.db2.gz BGLKOAALWDRLML-UHFFFAOYSA-N 0 0 293.338 3.837 50 0 CHAARN c1ccc(-c2nsc(NC3Cc4ccccc4C3)n2)cc1 ZINC000000146358 567820342 /nfs/dbraw/zinc/82/03/42/567820342.db2.gz QDYFSQAMADWDJR-UHFFFAOYSA-N 0 0 293.395 3.784 50 0 CHAARN CCCc1ccc(OC(=O)COc2ccccc2)cc1 ZINC000000148511 567820503 /nfs/dbraw/zinc/82/05/03/567820503.db2.gz QZCQFHGTUBGQLR-UHFFFAOYSA-N 0 0 270.328 3.624 50 0 CHAARN Cc1cc(C)c2c(n1)sc1c2ncnc1N1CCCCC1 ZINC000000159157 567820646 /nfs/dbraw/zinc/82/06/46/567820646.db2.gz YRGOHXYNKRJINZ-UHFFFAOYSA-N 0 0 298.415 3.847 50 0 CHAARN Cc1cc(C)c2c(N)c(C(=O)c3cccs3)sc2n1 ZINC000000159102 567820673 /nfs/dbraw/zinc/82/06/73/567820673.db2.gz SXMMJMHTTGSYLX-UHFFFAOYSA-N 0 0 288.397 3.788 50 0 CHAARN Cn1nc(-c2ccccc2)cc1NC(=O)Nc1cccs1 ZINC000000157333 567820731 /nfs/dbraw/zinc/82/07/31/567820731.db2.gz CCWDJJVTJQGBHQ-UHFFFAOYSA-N 0 0 298.371 3.793 50 0 CHAARN Nc1c(=O)c2ccccc2oc1-c1ccc(Cl)cc1 ZINC000000161728 567820779 /nfs/dbraw/zinc/82/07/79/567820779.db2.gz XSMVRGLTOKZIEM-UHFFFAOYSA-N 0 0 271.703 3.696 50 0 CHAARN C[C@H](O)Cn1c2ccccc2c2cc(Cl)ccc21 ZINC000000161277 567820799 /nfs/dbraw/zinc/82/07/99/567820799.db2.gz HDRKRXOQDXXAMB-JTQLQIEISA-N 0 0 259.736 3.829 50 0 CHAARN Clc1nc2ccccc2nc1Cc1ccccc1 ZINC000000168391 567820972 /nfs/dbraw/zinc/82/09/72/567820972.db2.gz WOXFHFKGZGPZBI-UHFFFAOYSA-N 0 0 254.720 3.874 50 0 CHAARN Cn1c2ccccc2c(C=O)c1Oc1ccccc1 ZINC000000168724 567820962 /nfs/dbraw/zinc/82/09/62/567820962.db2.gz QGCSITWXJMWQDS-UHFFFAOYSA-N 0 0 251.285 3.783 50 0 CHAARN CCOC(=O)c1c(N)[nH]cc1-c1ccc2ccccc2c1 ZINC000000168347 567821113 /nfs/dbraw/zinc/82/11/13/567821113.db2.gz XECMUZLIYVINON-UHFFFAOYSA-N 0 0 280.327 3.594 50 0 CHAARN O=C(Oc1ccnc2cc(Cl)ccc21)N1CCCCC1 ZINC000000197395 567822106 /nfs/dbraw/zinc/82/21/06/567822106.db2.gz UHMZALZVTWPKDP-UHFFFAOYSA-N 0 0 290.750 3.873 50 0 CHAARN C[C@@H]1S[C@H](c2ccccc2)N(Cc2ccccc2)C1=O ZINC000000208570 567822144 /nfs/dbraw/zinc/82/21/44/567822144.db2.gz XCLUQWGMVIXYIU-SUMWQHHRSA-N 0 0 283.396 3.849 50 0 CHAARN CC(C)(C)c1ccc(Cn2c3ccccc3nc2CO)cc1 ZINC000000210213 567822506 /nfs/dbraw/zinc/82/25/06/567822506.db2.gz WGOCHUHUERGLRP-UHFFFAOYSA-N 0 0 294.398 3.874 50 0 CHAARN COc1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000000226903 567822541 /nfs/dbraw/zinc/82/25/41/567822541.db2.gz JUEXEMAUTCYMMV-KPKJPENVSA-N 0 0 267.328 3.656 50 0 biogenic CHAARN CCOc1ccccc1NC(=O)c1cccc(C)c1 ZINC000000219033 567822563 /nfs/dbraw/zinc/82/25/63/567822563.db2.gz WVKNKVSKPRDADI-UHFFFAOYSA-N 0 0 255.317 3.646 50 0 CHAARN CCOC(=O)c1c(N)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000000218458 567822641 /nfs/dbraw/zinc/82/26/41/567822641.db2.gz WQXAUZCQEXYAOJ-VIFPVBQESA-N 0 0 281.421 3.658 50 0 CHAARN Oc1ccc(Cl)cc1-c1cc(C(F)(F)F)on1 ZINC000000237599 567822740 /nfs/dbraw/zinc/82/27/40/567822740.db2.gz KEMDXDPWPFAJBO-UHFFFAOYSA-N 0 0 263.602 3.719 50 0 CHAARN COc1ccc(NC(=O)Cc2cccs2)cc1Cl ZINC000000235824 567822761 /nfs/dbraw/zinc/82/27/61/567822761.db2.gz UYJGCODYBCVKLX-UHFFFAOYSA-N 0 0 281.764 3.591 50 0 CHAARN Cc1nc2ccc(Br)cc2c2c1C[C@@H](C)O2 ZINC000000247886 567822813 /nfs/dbraw/zinc/82/28/13/567822813.db2.gz HFSXFXXXGXEDJT-SSDOTTSWSA-N 0 0 278.149 3.629 50 0 biogenic CHAARN O=C(c1ccc(Cl)cc1)N1C(=O)CC[C@@H]1c1ccccc1 ZINC000000245985 567822824 /nfs/dbraw/zinc/82/28/24/567822824.db2.gz JWYWOZSXXJIVTQ-OAHLLOKOSA-N 0 0 299.757 3.844 50 0 CHAARN CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000000237329 567822972 /nfs/dbraw/zinc/82/29/72/567822972.db2.gz RFDJOCFNBKDUQI-UHFFFAOYSA-N 0 0 288.734 3.551 50 0 CHAARN Cc1csc(NC(=O)c2ccc3ccccc3c2)n1 ZINC000000253245 567823113 /nfs/dbraw/zinc/82/31/13/567823113.db2.gz 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CC[C@@H](C(=O)NCCc1ccc(F)cc1)c1ccccc1 ZINC000000302968 567824746 /nfs/dbraw/zinc/82/47/46/567824746.db2.gz WFXOOOVREPLERX-QGZVFWFLSA-N 0 0 285.362 3.678 50 0 CHAARN C[C@H](NC(=O)C1CCCC1)c1ccc(Br)cc1 ZINC000000306703 567824758 /nfs/dbraw/zinc/82/47/58/567824758.db2.gz UDJWMOZVZIAVLX-JTQLQIEISA-N 0 0 296.208 3.817 50 0 CHAARN CCN(CC)C(=O)c1cc(Br)c(C)c(C)c1C ZINC000000308873 567825061 /nfs/dbraw/zinc/82/50/61/567825061.db2.gz GAENYCGEHSFZMQ-UHFFFAOYSA-N 0 0 298.224 3.856 50 0 CHAARN Cc1sc2nc(-c3cccs3)oc(=O)c2c1C ZINC000000314527 567825015 /nfs/dbraw/zinc/82/50/15/567825015.db2.gz CGBFTRSRTDRGBV-UHFFFAOYSA-N 0 0 263.343 3.595 50 0 CHAARN Cc1cccc(OCCC(=O)Nc2ccc(C)c(F)c2)c1 ZINC000000319233 567825279 /nfs/dbraw/zinc/82/52/79/567825279.db2.gz VTOJCQZWWXKGFH-UHFFFAOYSA-N 0 0 287.334 3.850 50 0 CHAARN CCCc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12 ZINC000000317541 567825380 /nfs/dbraw/zinc/82/53/80/567825380.db2.gz TYQNRPUGELYFGR-UHFFFAOYSA-N 0 0 298.294 3.558 50 0 CHAARN Cc1c(C=O)c2ccccc2n1Cc1ccc(F)cc1 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/nfs/dbraw/zinc/44/42/23/171444223.db2.gz ZFOCBSCTYJKDMQ-DOMZBBRYSA-N 0 0 294.826 3.760 50 0 CHAARN O=C(c1cccc(F)c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000025534355 171460088 /nfs/dbraw/zinc/46/00/88/171460088.db2.gz ZXPVBNJRRGPTHU-MRXNPFEDSA-N 0 0 287.309 3.942 50 0 CHAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccco2)on1 ZINC000025586000 171461627 /nfs/dbraw/zinc/46/16/27/171461627.db2.gz GJRVKIBQJYBANS-LLVKDONJSA-N 0 0 294.310 3.526 50 0 CHAARN CC(C)NC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000025992392 171469591 /nfs/dbraw/zinc/46/95/91/171469591.db2.gz OSRQYPWDHGGQGQ-MRVPVSSYSA-N 0 0 275.179 3.762 50 0 CHAARN CCOC(=O)Nc1c(-c2cccs2)nc2ccccn21 ZINC000026963129 171504071 /nfs/dbraw/zinc/50/40/71/171504071.db2.gz AEIVETDGHMWTRN-UHFFFAOYSA-N 0 0 287.344 3.631 50 0 CHAARN Cc1ccc2cccc(OCC(=O)c3ccccc3)c2n1 ZINC000028047699 171545912 /nfs/dbraw/zinc/54/59/12/171545912.db2.gz ZQHGBZXOSRHFSI-UHFFFAOYSA-N 0 0 277.323 3.805 50 0 CHAARN CCCCNC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000029513884 171601646 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/nfs/dbraw/zinc/75/71/46/171757146.db2.gz SXTRNNCLCKHUSC-CQSZACIVSA-N 0 0 290.366 3.655 50 0 CHAARN COc1ccc(CC(=O)O[C@@H]2CCCc3ccccc32)cc1 ZINC000032902314 171759005 /nfs/dbraw/zinc/75/90/05/171759005.db2.gz UHQNUSOYWJUPFX-GOSISDBHSA-N 0 0 296.366 3.859 50 0 CHAARN CN(C(=O)N1CC[C@H]2CCCC[C@H]2C1)c1ccccc1 ZINC000032925332 171763221 /nfs/dbraw/zinc/76/32/21/171763221.db2.gz ZAMWVOHBPWWSGD-CABCVRRESA-N 0 0 272.392 3.755 50 0 CHAARN C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 ZINC000032978366 171765862 /nfs/dbraw/zinc/76/58/62/171765862.db2.gz RRFBOSYOUDJSBL-KDOFPFPSSA-N 0 0 295.382 3.710 50 0 CHAARN Cc1nc(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)no1 ZINC000033077070 171769871 /nfs/dbraw/zinc/76/98/71/171769871.db2.gz KJHQMWIEXBMPJB-UHFFFAOYSA-N 0 0 293.326 3.606 50 0 CHAARN Cc1cc(NC(=O)/C=C\c2ccc(C(C)(C)C)cc2)no1 ZINC000033316694 171782436 /nfs/dbraw/zinc/78/24/36/171782436.db2.gz QXZKTKHUBSFQLG-YFHOEESVSA-N 0 0 284.359 3.932 50 0 CHAARN O=C(/C=C\c1ccc(C(F)(F)F)cc1)NCc1ccco1 ZINC000033463115 171804505 /nfs/dbraw/zinc/80/45/05/171804505.db2.gz CRHSNYHRUBVPMH-YVMONPNESA-N 0 0 295.260 3.628 50 0 CHAARN COc1cc(Cl)c(C)cc1NC(=O)/C=C\c1ccco1 ZINC000033469831 171804937 /nfs/dbraw/zinc/80/49/37/171804937.db2.gz GAKGNMAPGCLZAZ-WAYWQWQTSA-N 0 0 291.734 3.902 50 0 CHAARN CCOC(=O)C=C(Nc1ccc(OC)cc1)c1ccccc1 ZINC000034530564 171843182 /nfs/dbraw/zinc/84/31/82/171843182.db2.gz DHXAYWXTHOTACD-GHRIWEEISA-N 0 0 297.354 3.711 50 0 CHAARN COc1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1 ZINC000034615286 171845617 /nfs/dbraw/zinc/84/56/17/171845617.db2.gz RWLGLRBFZUOAGT-UHFFFAOYSA-N 0 0 252.317 3.532 50 0 CHAARN CC(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC000035182762 172035944 /nfs/dbraw/zinc/03/59/44/172035944.db2.gz GRGPYUUHCZUIMU-QMMMGPOBSA-N 0 0 259.168 3.519 50 0 CHAARN C[C@H]1c2cc(Cl)ccc2O[C@H]2c3ccccc3C(=O)N21 ZINC000035324749 172126981 /nfs/dbraw/zinc/12/69/81/172126981.db2.gz BTRYEPPEYIAAAB-FVMDXXJSSA-N 0 0 285.730 3.948 50 0 CHAARN Cn1cnc2cc(-c3noc(C4CCCCC4)n3)ccc21 ZINC000035453272 172205989 /nfs/dbraw/zinc/20/59/89/172205989.db2.gz NBONNBDJNGLDRE-UHFFFAOYSA-N 0 0 282.347 3.671 50 0 CHAARN Cc1ccccc1[C@@H]1CCCN1C(=O)NC1CCCC1 ZINC000035476505 172221542 /nfs/dbraw/zinc/22/15/42/172221542.db2.gz HLHAAHZZICABPC-INIZCTEOSA-N 0 0 272.392 3.784 50 0 CHAARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccccc2)no1 ZINC000035511329 172242395 /nfs/dbraw/zinc/24/23/95/172242395.db2.gz AXCSDRFMTHIATR-INIZCTEOSA-N 0 0 299.374 3.996 50 0 CHAARN Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(C)cn1 ZINC000036398391 172634971 /nfs/dbraw/zinc/63/49/71/172634971.db2.gz UUMOAOJZFCRLBZ-UHFFFAOYSA-N 0 0 299.355 3.667 50 0 CHAARN O=C(c1cccc(F)c1)N1CCC[C@@H]1c1ccccc1F ZINC000036619690 172642082 /nfs/dbraw/zinc/64/20/82/172642082.db2.gz SVQMXQDOBFGUJX-MRXNPFEDSA-N 0 0 287.309 3.942 50 0 CHAARN Cc1cc(C)n(-c2ccccc2NC(=O)c2cccs2)n1 ZINC000036748342 172675610 /nfs/dbraw/zinc/67/56/10/172675610.db2.gz SALLNYTVACOQKV-UHFFFAOYSA-N 0 0 297.383 3.803 50 0 CHAARN Cc1noc(C)c1CNc1cccc(-c2ccnc(C)n2)c1 ZINC000036764388 172683699 /nfs/dbraw/zinc/68/36/99/172683699.db2.gz KZNUTKNFLLIBTN-UHFFFAOYSA-N 0 0 294.358 3.669 50 0 CHAARN O=C(c1ccc(Br)cc1)c1ccccc1F ZINC000036941806 172818121 /nfs/dbraw/zinc/81/81/21/172818121.db2.gz BNJKHOYHQYYFGU-UHFFFAOYSA-N 0 0 279.108 3.819 50 0 CHAARN CC(=O)Nc1ccc(N[C@H]2CCc3ccccc3C2)cc1 ZINC000037187599 173018595 /nfs/dbraw/zinc/01/85/95/173018595.db2.gz WZQXFKYEAGBJHY-SFHVURJKSA-N 0 0 280.371 3.614 50 0 CHAARN Cc1ccc(C(=O)c2ccc(F)c(F)c2)cc1F ZINC000037357818 173147732 /nfs/dbraw/zinc/14/77/32/173147732.db2.gz JUTADGRVVRFGDZ-UHFFFAOYSA-N 0 0 250.219 3.643 50 0 CHAARN Cc1nc2ccccc2n1Cc1cc(N)ccc1Cl ZINC000037403132 173179735 /nfs/dbraw/zinc/17/97/35/173179735.db2.gz KXRLDAQDFLIDQT-UHFFFAOYSA-N 0 0 271.751 3.629 50 0 CHAARN Cc1ccccc1[C@@H](O)c1ccc(Br)cc1 ZINC000037464425 173225432 /nfs/dbraw/zinc/22/54/32/173225432.db2.gz ZSFDPTJAQOQSJI-AWEZNQCLSA-N 0 0 277.161 3.839 50 0 CHAARN CC(C)(C)OC(=O)Cn1c2ccccc2c2cc(N)ccc21 ZINC000038478277 174142223 /nfs/dbraw/zinc/14/22/23/174142223.db2.gz LHTXTTOUBQINDT-UHFFFAOYSA-N 0 0 296.370 3.718 50 0 CHAARN Brc1cccc(NC2CCCCC2)n1 ZINC000038537532 174145531 /nfs/dbraw/zinc/14/55/31/174145531.db2.gz DIJHZVWZOQTRNL-UHFFFAOYSA-N 0 0 255.159 3.589 50 0 CHAARN Cc1cccc(CC(=O)N2CC[C@H](c3ccccc3)C2)c1 ZINC000038566912 174146966 /nfs/dbraw/zinc/14/69/66/174146966.db2.gz ROHQRMYPMYHZHO-SFHVURJKSA-N 0 0 279.383 3.554 50 0 CHAARN COc1ccc2oc(C)c(C(=O)NCc3ccccc3)c2c1 ZINC000039702311 174171748 /nfs/dbraw/zinc/17/17/48/174171748.db2.gz UDCUZTAAHFUEMQ-UHFFFAOYSA-N 0 0 295.338 3.680 50 0 CHAARN Cc1ccc([C@H](C)NC(=O)c2cc(C)c(C)s2)o1 ZINC000039975819 174180287 /nfs/dbraw/zinc/18/02/87/174180287.db2.gz SSORRIABWNYNLD-JTQLQIEISA-N 0 0 263.362 3.757 50 0 CHAARN Cc1ccc(N[C@@H](C(=O)N(C)C)c2ccccc2)c(C)c1 ZINC000039982327 174180923 /nfs/dbraw/zinc/18/09/23/174180923.db2.gz YLDPWOVNFJJGIY-QGZVFWFLSA-N 0 0 282.387 3.545 50 0 CHAARN Cc1ccccc1-c1nnc(SCCc2ccccn2)o1 ZINC000039985715 174181811 /nfs/dbraw/zinc/18/18/11/174181811.db2.gz QOVHFLWATSNVGG-UHFFFAOYSA-N 0 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3.679 50 0 CHAARN CC(C)c1ccc2cc(C(=O)N3CCCCC3)[nH]c2c1 ZINC000040069948 174186377 /nfs/dbraw/zinc/18/63/77/174186377.db2.gz ANRHDUHUSGYMQH-UHFFFAOYSA-N 0 0 270.376 3.917 50 0 CHAARN CC(C)c1ccc2cc(C(=O)Nc3ccccn3)[nH]c2c1 ZINC000040070171 174186427 /nfs/dbraw/zinc/18/64/27/174186427.db2.gz SAZKDGCCWIDZDF-UHFFFAOYSA-N 0 0 279.343 3.939 50 0 CHAARN CCc1ccc(C(=O)NCc2sccc2C)s1 ZINC000040070960 174186443 /nfs/dbraw/zinc/18/64/43/174186443.db2.gz HGKQZDRJGOZJLV-UHFFFAOYSA-N 0 0 265.403 3.610 50 0 CHAARN CC(C)CC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000040071845 174186782 /nfs/dbraw/zinc/18/67/82/174186782.db2.gz IBDDAWQOYSRFFI-SNVBAGLBSA-N 0 0 273.298 3.929 50 0 CHAARN CSCc1nnc(SCc2ncc(C(C)(C)C)o2)o1 ZINC000040074069 174186935 /nfs/dbraw/zinc/18/69/35/174186935.db2.gz HGXYWMHTNBMWNK-UHFFFAOYSA-N 0 0 299.421 3.510 50 0 CHAARN C[C@H](NC(=O)CC[C@H]1CCCO1)c1ccc(Cl)s1 ZINC000040074603 174187206 /nfs/dbraw/zinc/18/72/06/174187206.db2.gz GFHZMNAHFBXZJL-VHSXEESVSA-N 0 0 287.812 3.538 50 0 CHAARN CC(=O)c1sc(Cc2cccc(Cl)c2)nc1C ZINC000040086293 174187260 /nfs/dbraw/zinc/18/72/60/174187260.db2.gz JGSIDVFFWIUVPH-UHFFFAOYSA-N 0 0 265.765 3.898 50 0 CHAARN C[C@@H](NC(=O)Nc1cccnc1)c1ccc(Cl)s1 ZINC000040086412 174188116 /nfs/dbraw/zinc/18/81/16/174188116.db2.gz CJSJKFNTLAWDLA-MRVPVSSYSA-N 0 0 281.768 3.679 50 0 CHAARN Cc1ccc([C@@H](C)NC(=O)Nc2cccc(F)c2)o1 ZINC000040095867 174190005 /nfs/dbraw/zinc/19/00/05/174190005.db2.gz LRJPWNYFTMDGIC-SNVBAGLBSA-N 0 0 262.284 3.610 50 0 CHAARN C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccc3cccnc32)C1 ZINC000040103878 174191614 /nfs/dbraw/zinc/19/16/14/174191614.db2.gz MIVPBPSFNHKMPJ-CHWSQXEVSA-N 0 0 283.375 3.745 50 0 CHAARN CCc1nc(NC(=O)c2ccc3ccccc3n2)sc1C ZINC000040118956 174193047 /nfs/dbraw/zinc/19/30/47/174193047.db2.gz CBIFETWVCNEHQF-UHFFFAOYSA-N 0 0 297.383 3.814 50 0 CHAARN COC(=O)c1ccc(C(=O)N(c2ccccc2)C(C)C)cc1 ZINC000040150721 174194933 /nfs/dbraw/zinc/19/49/33/174194933.db2.gz VNCLOEBBGWWVLQ-UHFFFAOYSA-N 0 0 297.354 3.528 50 0 CHAARN 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CC(C)n1cnnc1S[C@@H](C)c1ccc(F)cc1 ZINC000040456779 174267463 /nfs/dbraw/zinc/26/74/63/174267463.db2.gz VREYAPJPVDIXOQ-JTQLQIEISA-N 0 0 265.357 3.851 50 0 CHAARN CN(C)C(=O)c1ccccc1SCc1cccs1 ZINC000040472881 174281063 /nfs/dbraw/zinc/28/10/63/174281063.db2.gz ZUDOMUAIKWJDIH-UHFFFAOYSA-N 0 0 277.414 3.742 50 0 CHAARN O=C(Nc1cccnc1)N1CCC[C@H]1c1cccs1 ZINC000040474193 174282336 /nfs/dbraw/zinc/28/23/36/174282336.db2.gz GQOZCIHLRJOOFN-LBPRGKRZSA-N 0 0 273.361 3.512 50 0 CHAARN CC(C)c1noc(CN(C)[C@@H](C)c2ccc(F)cc2)n1 ZINC000040489643 174291039 /nfs/dbraw/zinc/29/10/39/174291039.db2.gz HLONPDKWWHCJSF-NSHDSACASA-N 0 0 277.343 3.525 50 0 CHAARN CCCc1noc([C@@H](C)Nc2ccc3oc(C)nc3c2)n1 ZINC000040511389 174305211 /nfs/dbraw/zinc/30/52/11/174305211.db2.gz XIDONPULAGNYLD-SECBINFHSA-N 0 0 286.335 3.645 50 0 CHAARN Cc1csc(CNC(=O)Nc2ccc(Cl)cc2C)n1 ZINC000040525596 174313655 /nfs/dbraw/zinc/31/36/55/174313655.db2.gz WCGALGPTHKQDQB-UHFFFAOYSA-N 0 0 295.795 3.735 50 0 CHAARN COc1cnc(-c2cc(Cl)ccc2F)nc1Cl 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Cc1nc(C2(NCc3ccccc3)CCCCCC2)no1 ZINC000078393971 177337232 /nfs/dbraw/zinc/33/72/32/177337232.db2.gz GDQXGBPOHWVDPM-UHFFFAOYSA-N 0 0 285.391 3.717 50 0 CHAARN COc1cccc(C[S@@](=O)[C@H](C)c2ccccc2F)c1 ZINC000078556251 177353750 /nfs/dbraw/zinc/35/37/50/177353750.db2.gz GHPZPTGGKDRUBW-ODXCJYRJSA-N 0 0 292.375 3.844 50 0 CHAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000005121379 260017012 /nfs/dbraw/zinc/01/70/12/260017012.db2.gz YIEZWMBEYJPCRZ-UHFFFAOYSA-N 0 0 293.363 3.750 50 0 CHAARN COc1ccc(C)cc1NC(=S)N1CCc2ccccc21 ZINC000006965098 260024598 /nfs/dbraw/zinc/02/45/98/260024598.db2.gz ACWGAAVAJAGJHW-UHFFFAOYSA-N 0 0 298.411 3.763 50 0 CHAARN O=C(Nc1ccc(Cl)cc1)c1csc(Cl)n1 ZINC000019910235 260115369 /nfs/dbraw/zinc/11/53/69/260115369.db2.gz OJLJUNKUBCJIGA-UHFFFAOYSA-N 0 0 273.144 3.702 50 0 CHAARN Cc1ccccc1CC(=O)N[C@@H](c1ncccc1C)C1CC1 ZINC000534589078 328316986 /nfs/dbraw/zinc/31/69/86/328316986.db2.gz IPANZHVFUFHMEX-LJQANCHMSA-N 0 0 294.398 3.508 50 0 CHAARN 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567923770 /nfs/dbraw/zinc/92/37/70/567923770.db2.gz SVAYTUAYBODSFR-UHFFFAOYSA-N 0 0 291.310 3.689 50 0 CHAARN COc1ccc(NC(=O)c2scc3c2CCCC3)cc1 ZINC000000141043 567923792 /nfs/dbraw/zinc/92/37/92/567923792.db2.gz SQHKZGZADHBSPK-UHFFFAOYSA-N 0 0 287.384 3.888 50 0 CHAARN Cc1ccc(O)c(C(=O)N(C)Cc2ccccc2Cl)c1 ZINC000023491684 567923887 /nfs/dbraw/zinc/92/38/87/567923887.db2.gz QBLANTNSMWCLFZ-UHFFFAOYSA-N 0 0 289.762 3.626 50 0 CHAARN CCOC(COc1ccc(Cl)c(Cl)c1)OCC ZINC000000163068 567924152 /nfs/dbraw/zinc/92/41/52/567924152.db2.gz LVANXKPFPPBKDQ-UHFFFAOYSA-N 0 0 279.163 3.771 50 0 CHAARN O=C(O[C@H]1CCSC1)c1ccc(Cl)cc1Cl ZINC000000159621 567924180 /nfs/dbraw/zinc/92/41/80/567924180.db2.gz OZPSBZVNYWWSKR-QMMMGPOBSA-N 0 0 277.172 3.656 50 0 CHAARN O=C1CS[C@H](c2ccccc2)N1C1CCCCC1 ZINC000000179892 567924315 /nfs/dbraw/zinc/92/43/15/567924315.db2.gz OULICINYPCYJOF-OAHLLOKOSA-N 0 0 261.390 3.593 50 0 CHAARN COc1ccc(Cl)cc1Cc1nc(C)cc(Cl)n1 ZINC000000186944 567924858 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DRKLWLHKFMISGB-UHFFFAOYSA-N 0 0 282.318 3.878 50 0 CHAARN CCOc1nc(C)ccc1-c1noc(-c2cccs2)n1 ZINC000000387924 567927815 /nfs/dbraw/zinc/92/78/15/567927815.db2.gz KTZVGAFMHVUBHJ-UHFFFAOYSA-N 0 0 287.344 3.567 50 0 CHAARN CSC1=NC(C)(C)C[C@]2(C)Nc3ccccc3N12 ZINC000000387807 567927824 /nfs/dbraw/zinc/92/78/24/567927824.db2.gz AUIBALSAXQVABA-CQSZACIVSA-N 0 0 261.394 3.536 50 0 CHAARN CCN(C)c1cccc(NC(=O)N2C[C@@H]3CC=CC[C@H]3C2)c1 ZINC000257366233 567927828 /nfs/dbraw/zinc/92/78/28/567927828.db2.gz OPZGGFMKPBBETI-GJZGRUSLSA-N 0 0 299.418 3.573 50 0 CHAARN COc1ccc([C@H]2CC(C)=Nc3nc4ccccc4n32)cc1 ZINC000100673213 567928414 /nfs/dbraw/zinc/92/84/14/567928414.db2.gz AALMRCUSSDYMBE-QGZVFWFLSA-N 0 0 291.354 3.964 50 0 CHAARN CC(C)(C)OC(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000146122659 567928748 /nfs/dbraw/zinc/92/87/48/567928748.db2.gz UASWAQXJHNSVQO-CQSZACIVSA-N 0 0 261.365 3.801 50 0 CHAARN Cc1ccc2c(c1)s/c(=N/C(=O)c1ccccc1C)n2C ZINC000100812024 567928789 /nfs/dbraw/zinc/92/87/89/567928789.db2.gz CDCGXUKDKUXJLV-ISLYRVAYSA-N 0 0 296.395 3.598 50 0 CHAARN O=C(N[C@@H](c1nccs1)C1CC1)NC1CCCCCC1 ZINC000073434140 567928817 /nfs/dbraw/zinc/92/88/17/567928817.db2.gz GOYJWMJGAAEINP-CYBMUJFWSA-N 0 0 293.436 3.616 50 0 CHAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(F)(F)F ZINC000002143458 567929385 /nfs/dbraw/zinc/92/93/85/567929385.db2.gz ATXCXBAHNZQECW-OPRDCNLKSA-N 0 0 252.276 3.553 50 0 CHAARN COc1ccc(C)cc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000000414139 567930272 /nfs/dbraw/zinc/93/02/72/567930272.db2.gz GACIULGXFRPHCQ-UHFFFAOYSA-N 0 0 294.354 3.666 50 0 biogenic CHAARN CC(=O)c1c(F)cccc1N1Cc2ccccc2C1 ZINC000050911437 567930442 /nfs/dbraw/zinc/93/04/42/567930442.db2.gz VBCLTLVDLWJNNL-UHFFFAOYSA-N 0 0 255.292 3.549 50 0 CHAARN Cc1cc(C)cc(C(=O)NCCn2ccc3ccccc32)c1 ZINC000000427823 567930517 /nfs/dbraw/zinc/93/05/17/567930517.db2.gz FSNHCGDGLYZFNG-UHFFFAOYSA-N 0 0 292.382 3.688 50 0 CHAARN CSc1ccccc1NC(=O)c1noc2c1CCCC2 ZINC000000426347 567930562 /nfs/dbraw/zinc/93/05/62/567930562.db2.gz CMUZXJHXNZZQDP-UHFFFAOYSA-N 0 0 288.372 3.528 50 0 CHAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cccc(F)c1 ZINC000005528175 567932381 /nfs/dbraw/zinc/93/23/81/567932381.db2.gz FHLYFTUCMKYAMS-LLVKDONJSA-N 0 0 287.309 3.946 50 0 CHAARN Nn1cc(-c2ccccc2)nc1SCc1ccc(F)cc1 ZINC000004406104 567932574 /nfs/dbraw/zinc/93/25/74/567932574.db2.gz ZVXYLIANVGVIQQ-UHFFFAOYSA-N 0 0 299.374 3.695 50 0 CHAARN c1nc2ccccn2c1COCc1nc2ccccc2s1 ZINC000005387743 567932748 /nfs/dbraw/zinc/93/27/48/567932748.db2.gz JEQWEXDWLNEKOY-UHFFFAOYSA-N 0 0 295.367 3.661 50 0 CHAARN CC[C@@H]1CCc2nc3sc(C(C)=O)c(N)c3cc2C1 ZINC000016527387 567933251 /nfs/dbraw/zinc/93/32/51/567933251.db2.gz FLKYKFJOLJUNRG-SECBINFHSA-N 0 0 274.389 3.596 50 0 CHAARN OCc1ccccc1OCc1cccc2ccccc21 ZINC000000475139 567934339 /nfs/dbraw/zinc/93/43/39/567934339.db2.gz XXTGMFCPSCXYFU-UHFFFAOYSA-N 0 0 264.324 3.911 50 0 CHAARN C[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000017323625 567935095 /nfs/dbraw/zinc/93/50/95/567935095.db2.gz UCTUCVISRDTLRK-JTQLQIEISA-N 0 0 277.726 3.970 50 0 CHAARN COc1ccc(Cl)cc1NC(=O)NC1CCCCC1 ZINC000000182088 567935435 /nfs/dbraw/zinc/93/54/35/567935435.db2.gz WZTFOWGWZGQLEM-UHFFFAOYSA-N 0 0 282.771 3.803 50 0 aggregator CHAARN Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1C ZINC000000122262 567935469 /nfs/dbraw/zinc/93/54/69/567935469.db2.gz NEZZERRSIFUQCD-UHFFFAOYSA-N 0 0 289.762 3.974 50 0 CHAARN CNc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000000175376 567935514 /nfs/dbraw/zinc/93/55/14/567935514.db2.gz GGXGYHHFHCBDOO-UHFFFAOYSA-N 0 0 261.328 3.852 50 0 CHAARN S=C1N=NC(Nc2cccc(Cl)c2Cl)S1 ZINC000000097981 567935649 /nfs/dbraw/zinc/93/56/49/567935649.db2.gz WEDOLFCPURYALV-UHFFFAOYSA-N 0 0 278.189 3.877 50 0 CHAARN O=C(CSCc1ccc(F)cc1)NC1CCCCC1 ZINC000000262680 567935710 /nfs/dbraw/zinc/93/57/10/567935710.db2.gz VYVZOWJPQHQYAG-UHFFFAOYSA-N 0 0 281.396 3.508 50 0 CHAARN Cc1nn(C)c(C)c1Sc1ccc(Br)cc1 ZINC000000083108 567935758 /nfs/dbraw/zinc/93/57/58/567935758.db2.gz OBAPCALKAKTEGI-UHFFFAOYSA-N 0 0 297.221 3.951 50 0 CHAARN CC[C@H](C(=O)Nc1ccc(C)c(O)c1)c1ccccc1 ZINC000000365445 567935823 /nfs/dbraw/zinc/93/58/23/567935823.db2.gz PYDNFXCEWDUZDQ-HNNXBMFYSA-N 0 0 269.344 3.833 50 0 CHAARN CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000000369210 567935840 /nfs/dbraw/zinc/93/58/40/567935840.db2.gz VUJUXUVDGRJDLR-IAGOWNOFSA-N 0 0 279.339 3.631 50 0 CHAARN O=C(c1cccs1)N1CCC(Cc2ccccc2)CC1 ZINC000000272346 567935848 /nfs/dbraw/zinc/93/58/48/567935848.db2.gz WQEXXRHQNSFQCS-UHFFFAOYSA-N 0 0 285.412 3.843 50 0 CHAARN CCOC(=O)c1ccc(NC(=O)CC2CCCCC2)cc1 ZINC000000316866 567935859 /nfs/dbraw/zinc/93/58/59/567935859.db2.gz MQBAYDRDGKMVKJ-UHFFFAOYSA-N 0 0 289.375 3.772 50 0 CHAARN O=C(Nc1cccc(O)c1)c1cccc2ccccc21 ZINC000000364229 567935906 /nfs/dbraw/zinc/93/59/06/567935906.db2.gz POXUNCDWYCKYPQ-UHFFFAOYSA-N 0 0 263.296 3.798 50 0 CHAARN O=C(Cc1cccs1)Nc1ccccc1Br ZINC000000363073 567935999 /nfs/dbraw/zinc/93/59/99/567935999.db2.gz GHNNLFWOPNLVFP-UHFFFAOYSA-N 0 0 296.189 3.692 50 0 CHAARN O=C(Oc1cncc(Cl)c1)c1sccc1Cl ZINC000000480176 567936219 /nfs/dbraw/zinc/93/62/19/567936219.db2.gz XXVXZFGPKATXGX-UHFFFAOYSA-N 0 0 274.128 3.669 50 0 CHAARN COc1ccc([C@@](C)(O)CCc2ccccc2)cc1 ZINC000000401236 567936224 /nfs/dbraw/zinc/93/62/24/567936224.db2.gz NNCNGEKNKYUWLB-KRWDZBQOSA-N 0 0 256.345 3.536 50 0 CHAARN C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)c1ccccc1 ZINC000000407422 567936286 /nfs/dbraw/zinc/93/62/86/567936286.db2.gz FPNRSHVORWTZFP-LLVKDONJSA-N 0 0 282.368 3.926 50 0 CHAARN Cc1ccc(NC(=O)c2ccc(OC3CSC3)cc2)cc1 ZINC000000445084 567936330 /nfs/dbraw/zinc/93/63/30/567936330.db2.gz GZZXJEYGTVNBBB-UHFFFAOYSA-N 0 0 299.395 3.742 50 0 CHAARN CCOc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2)cc1 ZINC000001184234 567937089 /nfs/dbraw/zinc/93/70/89/567937089.db2.gz UJHXEZUFUFAHOG-GFCCVEGCSA-N 0 0 287.334 3.715 50 0 CHAARN CCCC[C@@H](CC)C(=O)Nc1ccccc1C(=O)OC ZINC000002061895 567937655 /nfs/dbraw/zinc/93/76/55/567937655.db2.gz XATGWJPPEPEQCX-GFCCVEGCSA-N 0 0 277.364 3.628 50 0 CHAARN CCCCCNC(=O)c1ccc(Cl)cc1Cl ZINC000001867056 567937674 /nfs/dbraw/zinc/93/76/74/567937674.db2.gz QLFOKAOJSCZXRM-UHFFFAOYSA-N 0 0 260.164 3.913 50 0 CHAARN O=C(Nc1cccc(OC(F)F)c1)c1ccccc1F ZINC000002889957 567937879 /nfs/dbraw/zinc/93/78/79/567937879.db2.gz YWJOMXUMUMMQLR-UHFFFAOYSA-N 0 0 281.233 3.679 50 0 CHAARN C[C@@H](NC(=O)c1ccc(N)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000003878759 567938051 /nfs/dbraw/zinc/93/80/51/567938051.db2.gz VWSYHOSYSDENOF-XUXNNNHQSA-N 0 0 298.430 3.604 50 0 CHAARN COc1ccc2[nH]c(SCC(=O)c3ccccc3)nc2c1 ZINC000004274665 567938063 /nfs/dbraw/zinc/93/80/63/567938063.db2.gz GMRDBISCNZMIKX-UHFFFAOYSA-N 0 0 298.367 3.547 50 0 CHAARN Cc1c(N[C@@H](C)c2ccccn2)cnn1-c1ccccc1 ZINC000181233419 567938075 /nfs/dbraw/zinc/93/80/75/567938075.db2.gz OZSLXTHUFOPYQY-ZDUSSCGKSA-N 0 0 278.359 3.749 50 0 CHAARN C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](C)O2)c1ccccc1 ZINC000016577890 567938433 /nfs/dbraw/zinc/93/84/33/567938433.db2.gz BTXPPVBODNRCMI-CHWSQXEVSA-N 0 0 281.355 3.501 50 0 CHAARN Cc1ccc(C(=O)Nc2ccc(Cl)cc2)c(C)n1 ZINC000000481149 567938814 /nfs/dbraw/zinc/93/88/14/567938814.db2.gz PVCUWIFTANTAEI-UHFFFAOYSA-N 0 0 260.724 3.604 50 0 CHAARN Cc1ccc([C@@H]2CC(c3cccs3)=Nc3ncnn32)cc1 ZINC000100834939 567939142 /nfs/dbraw/zinc/93/91/42/567939142.db2.gz LGZGQHCFEMPBPN-AWEZNQCLSA-N 0 0 294.383 3.704 50 0 CHAARN C[C@H](SCc1ccco1)c1ccc(S(C)(=O)=O)cc1 ZINC000189770674 567939158 /nfs/dbraw/zinc/93/91/58/567939158.db2.gz LKBSMNOPEVBRNV-NSHDSACASA-N 0 0 296.413 3.678 50 0 CHAARN COc1ccc([C@H](O)c2coc3ccc(OC)cc32)cc1 ZINC000000489859 567939650 /nfs/dbraw/zinc/93/96/50/567939650.db2.gz WVKKPNQRAKDHIU-KRWDZBQOSA-N 0 0 284.311 3.532 50 0 biogenic CHAARN O=C(C[C@@H](Cc1ccccc1)c1ccco1)N1CCCC1 ZINC000000488835 567939716 /nfs/dbraw/zinc/93/97/16/567939716.db2.gz JROCYBGKCQAODK-MRXNPFEDSA-N 0 0 283.371 3.618 50 0 biogenic CHAARN CCOc1nc(C)ccc1-c1noc(-c2ccccc2)n1 ZINC000000498698 567940007 /nfs/dbraw/zinc/94/00/07/567940007.db2.gz AVRXKKYZYLWMGP-UHFFFAOYSA-N 0 0 281.315 3.506 50 0 CHAARN CCCN1C(=O)N(c2cccc(C)c2)[C@@](C)(O)CC1(C)C ZINC000000500770 567940608 /nfs/dbraw/zinc/94/06/08/567940608.db2.gz FOTASIVLDPUVDI-KRWDZBQOSA-N 0 0 290.407 3.524 50 0 CHAARN CCC(=O)C1N(C)c2cccc3cccc(c32)N1C ZINC000000506940 567941277 /nfs/dbraw/zinc/94/12/77/567941277.db2.gz OIUYIYOBDLPBFU-UHFFFAOYSA-N 0 0 254.333 3.863 50 0 CHAARN COc1ccc(OCc2nc(-c3ccccc3C)no2)cc1 ZINC000000516053 567941775 /nfs/dbraw/zinc/94/17/75/567941775.db2.gz MGPCFALJVPHVRT-UHFFFAOYSA-N 0 0 296.326 3.633 50 0 CHAARN CC(=O)OC[C@]12COC[C@H](C3=CCCC(C)(C)[C@@H]3C1)[C@H]2C ZINC000000517226 567941819 /nfs/dbraw/zinc/94/18/19/567941819.db2.gz AOWHBUFUMSNEAB-BUIXCFAXSA-N 0 0 292.419 3.585 50 0 biogenic CHAARN C[C@@H]1Cc2ccccc2N1C(=O)Cc1c[nH]c2ccccc12 ZINC000014095711 567942554 /nfs/dbraw/zinc/94/25/54/567942554.db2.gz NUGLXHJJCUFEHB-CYBMUJFWSA-N 0 0 290.366 3.688 50 0 CHAARN Cc1ccc2c(c1)[nH]c1c2ncnc1N1C[C@H](C)C[C@@H](C)C1 ZINC000000544388 567942747 /nfs/dbraw/zinc/94/27/47/567942747.db2.gz MJNFFGIXKKHGTG-CHWSQXEVSA-N 0 0 294.402 3.902 50 0 CHAARN CCOc1ccc(NC(=O)CCc2ccc(CC)o2)cc1 ZINC000000543950 567942783 /nfs/dbraw/zinc/94/27/83/567942783.db2.gz DBTLREPCUFOZLT-UHFFFAOYSA-N 0 0 287.359 3.812 50 0 CHAARN Cc1c2c(c(C)n1-c1ccc(N)c(C)c1)c(C)nnc2C ZINC000000536277 567942819 /nfs/dbraw/zinc/94/28/19/567942819.db2.gz KPNYFNONTDYBPQ-UHFFFAOYSA-N 0 0 280.375 3.545 50 0 CHAARN COc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000000557750 567943281 /nfs/dbraw/zinc/94/32/81/567943281.db2.gz RXWKRTGGOVFHIS-UHFFFAOYSA-N 0 0 293.269 3.549 50 0 CHAARN CC[C@H](Oc1ccccc1)C(=O)N1CCCc2ccccc21 ZINC000000579850 567943912 /nfs/dbraw/zinc/94/39/12/567943912.db2.gz DQSQYYDQCHLBJL-SFHVURJKSA-N 0 0 295.382 3.823 50 0 CHAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cccnc1Cl ZINC000000579876 567944093 /nfs/dbraw/zinc/94/40/93/567944093.db2.gz JLINVMJHQABVAX-ZDUSSCGKSA-N 0 0 290.750 3.531 50 0 CHAARN Cc1ccc(O)c(C(=O)N[C@H](C)c2cccc(Cl)c2)c1 ZINC000016018034 567944194 /nfs/dbraw/zinc/94/41/94/567944194.db2.gz AEJAGBPAMSWZRJ-LLVKDONJSA-N 0 0 289.762 3.845 50 0 CHAARN Cc1nc(C)c(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000297129003 567945724 /nfs/dbraw/zinc/94/57/24/567945724.db2.gz HLPVBPFHTVNTCW-HZPDHXFCSA-N 0 0 298.386 3.700 50 0 CHAARN O=C(c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000012215451 567945787 /nfs/dbraw/zinc/94/57/87/567945787.db2.gz YFBHECOBNHNMPW-UHFFFAOYSA-N 0 0 277.776 3.600 50 0 CHAARN CCCN1C(=O)c2ccccc2N[C@H]1/C=C/c1ccco1 ZINC000048354576 567946450 /nfs/dbraw/zinc/94/64/50/567946450.db2.gz RKMNNQYQORMOGY-ZNFPLGDCSA-N 0 0 282.343 3.597 50 0 CHAARN Cc1cc(NC(=O)CS[C@@H](C)c2ccc(F)cc2)on1 ZINC000049462472 567946864 /nfs/dbraw/zinc/94/68/64/567946864.db2.gz RFSSODCLSICHJO-JTQLQIEISA-N 0 0 294.351 3.555 50 0 CHAARN C[C@@H](NC(=O)c1scc2c1CCCC2)c1nccs1 ZINC000214958033 567947101 /nfs/dbraw/zinc/94/71/01/567947101.db2.gz FWNGGPVHFYFFFR-SECBINFHSA-N 0 0 292.429 3.574 50 0 CHAARN CCc1nccc(CN2CCCC[C@@H]2c2cccc(F)c2)n1 ZINC000216280222 567947604 /nfs/dbraw/zinc/94/76/04/567947604.db2.gz LSLGCNCCHTXPLF-QGZVFWFLSA-N 0 0 299.393 3.905 50 0 CHAARN Cc1cc2sc(NC(=O)C3CC=CC3)nc2s1 ZINC000081636082 567948036 /nfs/dbraw/zinc/94/80/36/567948036.db2.gz AJLOTXJSZKLFHR-UHFFFAOYSA-N 0 0 264.375 3.571 50 0 CHAARN CCOC(=O)c1cnc2cc(Cl)ccc2c1Cl ZINC000032500189 567948557 /nfs/dbraw/zinc/94/85/57/567948557.db2.gz KWYQZEQRIMVMTH-UHFFFAOYSA-N 0 0 270.115 3.718 50 0 CHAARN O=C(COC(=O)c1ccccc1)c1ccc2ccccc2c1 ZINC000000460832 567950100 /nfs/dbraw/zinc/95/01/00/567950100.db2.gz CJNYHSNSXHZVSA-UHFFFAOYSA-N 0 0 290.318 3.880 50 0 CHAARN CCC[C@](C)(CC)C(=O)NC[C@H](C)Nc1ccccc1 ZINC000225458827 567953727 /nfs/dbraw/zinc/95/37/27/567953727.db2.gz BVNHPDREWBJRKX-YOEHRIQHSA-N 0 0 276.424 3.820 50 0 CHAARN Cc1cccc(NCC(=O)c2ccc(Cl)cc2)c1 ZINC000000245510 570218465 /nfs/dbraw/zinc/21/84/65/570218465.db2.gz JZWPVCSOQAGYEG-UHFFFAOYSA-N 0 0 259.736 3.943 50 0 CHAARN Clc1cccc(Br)c1Br ZINC000066055344 570245041 /nfs/dbraw/zinc/24/50/41/570245041.db2.gz BDMRCAWYRXJKLK-UHFFFAOYSA-N 0 0 270.351 3.865 50 0 CHAARN O=C(c1cc(F)cc(Cl)c1)N1CCC2(CCCC2)C1 ZINC000584901704 570215178 /nfs/dbraw/zinc/21/51/78/570215178.db2.gz RPQWMOZTYQHCCT-UHFFFAOYSA-N 0 0 281.758 3.885 50 0 CHAARN COc1ccccc1CC(=O)N1CCCc2cc(C)ccc21 ZINC000006730974 570217813 /nfs/dbraw/zinc/21/78/13/570217813.db2.gz VXTPQWOPSULFTM-UHFFFAOYSA-N 0 0 295.382 3.526 50 0 CHAARN O=C(NC1CCCCCC1)c1ccc(Cl)cc1 ZINC000000311796 570218603 /nfs/dbraw/zinc/21/86/03/570218603.db2.gz SJQLKBAAGMSVGW-UHFFFAOYSA-N 0 0 251.757 3.793 50 0 CHAARN C[C@H](NCc1ncc(-c2cccc(F)c2)o1)c1ccncc1 ZINC000097370692 570218714 /nfs/dbraw/zinc/21/87/14/570218714.db2.gz IKJQPTZKQQONJG-LBPRGKRZSA-N 0 0 297.333 3.727 50 0 CHAARN Cc1ccc(OCC(=O)Nc2cccc3c2CCCC3)cc1 ZINC000003058115 570219185 /nfs/dbraw/zinc/21/91/85/570219185.db2.gz GSDXHRDHVYXICT-UHFFFAOYSA-N 0 0 295.382 3.891 50 0 CHAARN C[C@@H]1CCCCN1c1nc(Cl)nc2ccccc21 ZINC000011756894 570220247 /nfs/dbraw/zinc/22/02/47/570220247.db2.gz JQLXXFZWEZHAIS-SNVBAGLBSA-N 0 0 261.756 3.662 50 0 CHAARN O=C(c1cc2sc3ccccc3c2s1)N1CCC1 ZINC000032780949 570222605 /nfs/dbraw/zinc/22/26/05/570222605.db2.gz XXGCPLLFIPJQJP-UHFFFAOYSA-N 0 0 273.382 3.962 50 0 CHAARN Cc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)no1 ZINC000004538722 570224461 /nfs/dbraw/zinc/22/44/61/570224461.db2.gz NCOATAKBMVZADI-UHFFFAOYSA-N 0 0 286.262 3.634 50 0 CHAARN CCCCCNC(=O)Nc1ccc(F)cc1Cl ZINC000032862278 570224826 /nfs/dbraw/zinc/22/48/26/570224826.db2.gz IXAJNTCJAOMGCL-UHFFFAOYSA-N 0 0 258.724 3.791 50 0 CHAARN Cc1occc1C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000016990599 570226057 /nfs/dbraw/zinc/22/60/57/570226057.db2.gz VSTNGXCYHCGKLZ-KBPBESRZSA-N 0 0 263.381 3.923 50 0 CHAARN Cc1nc2ccccc2c(C)c1CC(=O)N(C)[C@H](C)C1CC1 ZINC000025715701 570230940 /nfs/dbraw/zinc/23/09/40/570230940.db2.gz WGZYEHNAZMBQCT-CQSZACIVSA-N 0 0 296.414 3.651 50 0 CHAARN CC(C)NC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000025992383 570231699 /nfs/dbraw/zinc/23/16/99/570231699.db2.gz OSRQYPWDHGGQGQ-QMMMGPOBSA-N 0 0 275.179 3.762 50 0 CHAARN COc1ccc(-c2c[nH]c(=S)n2CC(C)C)cc1 ZINC000026424341 570231893 /nfs/dbraw/zinc/23/18/93/570231893.db2.gz HKUOPKLMZARTGI-UHFFFAOYSA-N 0 0 262.378 3.877 50 0 CHAARN COc1ccc(Oc2ccc(C=O)c(Cl)c2)cc1 ZINC000026509345 570232261 /nfs/dbraw/zinc/23/22/61/570232261.db2.gz JZYNFVURVANVFC-UHFFFAOYSA-N 0 0 262.692 3.953 50 0 CHAARN CC(C)(C(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000036047865 570233388 /nfs/dbraw/zinc/23/33/88/570233388.db2.gz YWSSFERUKPEABW-UHFFFAOYSA-N 0 0 257.308 3.742 50 0 CHAARN CC(C)OC(=O)[C@@H](C[NH2+]Cc1ccccc1)c1ccccc1 ZINC000071772775 570234058 /nfs/dbraw/zinc/23/40/58/570234058.db2.gz YKXHQDXZXHMPTN-SFHVURJKSA-N 0 0 297.398 3.512 50 0 CHAARN Cc1ccc(-c2ncc(NC(=O)C3CCCCC3)cn2)cc1 ZINC000097938503 570235100 /nfs/dbraw/zinc/23/51/00/570235100.db2.gz ZOBWEQVRWRGUQI-UHFFFAOYSA-N 0 0 295.386 3.971 50 0 CHAARN CC(=O)c1sc(SC/C=C(/C)Cl)nc1C ZINC000071772529 570236758 /nfs/dbraw/zinc/23/67/58/570236758.db2.gz GZJIKUVUXWLJLR-XQRVVYSFSA-N 0 0 261.799 3.889 50 0 CHAARN O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC(c2ccccc2)CC1 ZINC000071835056 570236881 /nfs/dbraw/zinc/23/68/81/570236881.db2.gz WTKJTMTWCBYQCL-DLBZAZTESA-N 0 0 295.382 3.789 50 0 CHAARN Cc1cc([C@H]2CCCN2C(=O)Nc2cc(C)ccc2C)on1 ZINC000047319485 570237119 /nfs/dbraw/zinc/23/71/19/570237119.db2.gz IAHSFLJCKIFHIN-OAHLLOKOSA-N 0 0 299.374 3.969 50 0 CHAARN Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(C)c(C)c2)on1 ZINC000047322518 570237248 /nfs/dbraw/zinc/23/72/48/570237248.db2.gz YWVZICIUBAONAG-OAHLLOKOSA-N 0 0 299.374 3.969 50 0 CHAARN CC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000047822406 570237857 /nfs/dbraw/zinc/23/78/57/570237857.db2.gz IFARMRBFYYTWCS-UHFFFAOYSA-N 0 0 279.133 3.570 50 0 CHAARN CC[C@@H](C)N(Cc1cccnc1)C(=O)c1ccsc1 ZINC000055182947 570241005 /nfs/dbraw/zinc/24/10/05/570241005.db2.gz DPQVTJCIJQVMAB-GFCCVEGCSA-N 0 0 274.389 3.584 50 0 CHAARN CC(C)CC[C@@H](c1ccccc1)N(C)C(=O)Cc1cnc[nH]1 ZINC000055283922 570241746 /nfs/dbraw/zinc/24/17/46/570241746.db2.gz WAJVMMQWOOFDLG-KRWDZBQOSA-N 0 0 299.418 3.588 50 0 CHAARN CN(CCCc1ccccc1)C(=O)CCc1cccs1 ZINC000060440241 570247308 /nfs/dbraw/zinc/24/73/08/570247308.db2.gz IPNWAOPAWXXKPS-UHFFFAOYSA-N 0 0 287.428 3.772 50 0 CHAARN COc1ccc(F)cc1-c1ccnc(C(F)F)c1 ZINC000725273590 570264008 /nfs/dbraw/zinc/26/40/08/570264008.db2.gz MYNFGCWJBDCUCY-UHFFFAOYSA-N 0 0 253.223 3.834 50 0 CHAARN C[NH+]1[C@@H](c2ccccc2)CC(O)C[C@@H]1c1ccccc1 ZINC000000353982 570264986 /nfs/dbraw/zinc/26/49/86/570264986.db2.gz CVCRCZBXPUGBNK-QZTJIDSGSA-N 0 0 267.372 3.556 50 0 CHAARN CC(C)C(=O)Nc1cccc(-c2cn3ccccc3n2)c1 ZINC000000379118 570266172 /nfs/dbraw/zinc/26/61/72/570266172.db2.gz YBXQUQZIYFPVLW-UHFFFAOYSA-N 0 0 279.343 3.596 50 0 CHAARN CC(C)CCNC(=O)/C=C\c1ccc(Br)cc1 ZINC000033455960 570266977 /nfs/dbraw/zinc/26/69/77/570266977.db2.gz DMKFYOCGPVCMJC-YVMONPNESA-N 0 0 296.208 3.625 50 0 CHAARN Fc1ccc(-c2csc([C@H]3CCCO3)n2)c(F)c1 ZINC000136493789 570275186 /nfs/dbraw/zinc/27/51/86/570275186.db2.gz RALPLXVGIKVZSU-GFCCVEGCSA-N 0 0 267.300 3.940 50 0 CHAARN CCCCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000002745982 570278013 /nfs/dbraw/zinc/27/80/13/570278013.db2.gz ZSQMZQCQQBWFBC-GFCCVEGCSA-N 0 0 283.799 3.722 50 0 CHAARN Cc1cc(C)c2sc(NC(=O)c3ccccc3C)nc2n1 ZINC000011666324 570282726 /nfs/dbraw/zinc/28/27/26/570282726.db2.gz NARRHLUIFKOSLV-UHFFFAOYSA-N 0 0 297.383 3.869 50 0 CHAARN COc1cccc(-c2nc(-c3ccc(C)cc3)no2)c1OC ZINC000000496437 570283315 /nfs/dbraw/zinc/28/33/15/570283315.db2.gz MMROPRFCDCJQQM-UHFFFAOYSA-N 0 0 296.326 3.729 50 0 CHAARN CC[C@@H](C)[C@@H](C)NC(=O)c1cc(F)c(F)cc1Cl ZINC000048331650 570297482 /nfs/dbraw/zinc/29/74/82/570297482.db2.gz VCXUSMYUAMIPIS-HTQZYQBOSA-N 0 0 275.726 3.783 50 0 CHAARN CC[C@H](C)Nc1nc(-c2ccccn2)nc2ccccc21 ZINC000000533453 570286898 /nfs/dbraw/zinc/28/68/98/570286898.db2.gz UKHAMZBIMNTOHU-LBPRGKRZSA-N 0 0 278.359 3.902 50 0 CHAARN C[C@@H](NC(=O)c1ccccc1)c1cc2ccccc2o1 ZINC000014245498 570287097 /nfs/dbraw/zinc/28/70/97/570287097.db2.gz BYDVMTHWYYBYCE-GFCCVEGCSA-N 0 0 265.312 3.924 50 0 CHAARN Cc1cccc2[nH]c3c(ncnc3N3CCC[C@H](C)C3)c21 ZINC000000534747 570287159 /nfs/dbraw/zinc/28/71/59/570287159.db2.gz BJOIXVYXCGJAJL-NSHDSACASA-N 0 0 280.375 3.656 50 0 CHAARN COC(=O)N1[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000017921091 570289732 /nfs/dbraw/zinc/28/97/32/570289732.db2.gz RCDUNEOSRBMNMC-FKEKPDDDSA-N 0 0 253.301 3.551 50 0 CHAARN O=Cc1c(Cl)cccc1Oc1cnc2ccccc2n1 ZINC000019815760 570291807 /nfs/dbraw/zinc/29/18/07/570291807.db2.gz QRXJLWZGVSJETJ-UHFFFAOYSA-N 0 0 284.702 3.888 50 0 CHAARN C[C@@H]1CCC[C@H](NC(=S)NCc2ccc(F)cc2)[C@H]1C ZINC000108970138 570295058 /nfs/dbraw/zinc/29/50/58/570295058.db2.gz YFBJGYBZUDJHJR-XUJVJEKNSA-N 0 0 294.439 3.615 50 0 CHAARN COCc1ccccc1NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000046032985 570295716 /nfs/dbraw/zinc/29/57/16/570295716.db2.gz YBTWYPKDECWMCW-GFCCVEGCSA-N 0 0 288.347 3.617 50 0 CHAARN C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1-n1cccn1 ZINC000048152355 570296161 /nfs/dbraw/zinc/29/61/61/570296161.db2.gz BLLBGXZTFZPATB-KGLIPLIRSA-N 0 0 298.390 3.573 50 0 CHAARN Cc1nc(C)c([C@H](C)NC(=O)N[C@@H]2CCC[C@H](C)C2)s1 ZINC000049242250 570300407 /nfs/dbraw/zinc/30/04/07/570300407.db2.gz NCDDVHJAMPYCQG-XHVZSJERSA-N 0 0 295.452 3.699 50 0 CHAARN Cc1cc(C)cc(NC(=O)c2ccc3nnsc3c2)c1 ZINC000012274818 570301722 /nfs/dbraw/zinc/30/17/22/570301722.db2.gz GMJGIBODWFBQHQ-UHFFFAOYSA-N 0 0 283.356 3.560 50 0 CHAARN COc1cccc([C@H]2CCN2Cc2ccnc(C(C)C)n2)c1 ZINC000215436878 570302782 /nfs/dbraw/zinc/30/27/82/570302782.db2.gz YMIDCMWSIDDWOF-QGZVFWFLSA-N 0 0 297.402 3.556 50 0 CHAARN Nc1c(-c2ccc(F)cc2)cnn1-c1ccc(Cl)cc1 ZINC000215852209 570304507 /nfs/dbraw/zinc/30/45/07/570304507.db2.gz KVLWWWVLKAPADS-UHFFFAOYSA-N 0 0 287.725 3.914 50 0 CHAARN Cc1ccc(OCn2c3ccccc3sc2=O)cc1C ZINC000000715834 570305478 /nfs/dbraw/zinc/30/54/78/570305478.db2.gz NMWPVDOTCNNUIR-UHFFFAOYSA-N 0 0 285.368 3.716 50 0 CHAARN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1c(F)cccc1F ZINC000024891815 570311885 /nfs/dbraw/zinc/31/18/85/570311885.db2.gz OKVLPCVSKAPMTJ-UHFFFAOYSA-N 0 0 299.280 3.607 50 0 CHAARN Cc1csc(-c2nc(=O)c3c(C(C)C)csc3[nH]2)n1 ZINC000095939841 570311970 /nfs/dbraw/zinc/31/19/70/570311970.db2.gz RCXLHZPPGWMTSC-UHFFFAOYSA-N 0 0 291.401 3.952 50 0 CHAARN CC(C)[C@@H](NC(=O)c1ccc2c[nH]nc2c1)c1cccs1 ZINC000025060051 570312543 /nfs/dbraw/zinc/31/25/43/570312543.db2.gz KCNIAMFGSVCWFY-OAHLLOKOSA-N 0 0 299.399 3.752 50 0 CHAARN COc1ccccc1/C=C\c1nc2ccccc2[nH]1 ZINC000033448215 570312554 /nfs/dbraw/zinc/31/25/54/570312554.db2.gz PMAUBGABAFCIRA-KHPPLWFESA-N 0 0 250.301 3.742 50 0 CHAARN Cc1cc2c([nH]c([C@@H]3C[C@H]3c3ccccc3)nc2=O)s1 ZINC000685940774 570318473 /nfs/dbraw/zinc/31/84/73/570318473.db2.gz UMOCGQXJPIFMFB-NWDGAFQWSA-N 0 0 282.368 3.976 50 0 CHAARN CC(C)c1cc(CN2CCC[C@H]2c2nccs2)no1 ZINC000244873164 570321070 /nfs/dbraw/zinc/32/10/70/570321070.db2.gz WLDKAAIQQDQDIG-LBPRGKRZSA-N 0 0 277.393 3.592 50 0 CHAARN CN(CCSc1ccccc1)Cc1cc(C2CC2)on1 ZINC000244735106 570321079 /nfs/dbraw/zinc/32/10/79/570321079.db2.gz NTBRHVPHKVWRMR-UHFFFAOYSA-N 0 0 288.416 3.776 50 0 CHAARN Cc1nc2ncnc(N[C@@H](C)CCCC(C)C)c2nc1C ZINC000222286176 570322260 /nfs/dbraw/zinc/32/22/60/570322260.db2.gz IINOGKQBFRPVID-NSHDSACASA-N 0 0 287.411 3.663 50 0 CHAARN 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190071059 /nfs/dbraw/zinc/07/10/59/190071059.db2.gz OUHKRIYIPQKMEW-UHFFFAOYSA-N 0 0 274.467 3.704 50 0 CHAARN CCNc1ncnc2sc(-c3ccccc3)cc21 ZINC000002646777 169817969 /nfs/dbraw/zinc/81/79/69/169817969.db2.gz CCBOJZOBIXOMKP-UHFFFAOYSA-N 0 0 255.346 3.790 50 0 CHAARN COc1cccc(-c2csc(-c3cccnc3)n2)c1 ZINC000000003451 169504057 /nfs/dbraw/zinc/50/40/57/169504057.db2.gz GXVKYXHKQYNGHM-UHFFFAOYSA-N 0 0 268.341 3.881 50 0 CHAARN COC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000000021747 169507056 /nfs/dbraw/zinc/50/70/56/169507056.db2.gz VXLRTPFHYDFGCD-UHFFFAOYSA-N 0 0 298.367 3.642 50 0 CHAARN Brc1ccc(-c2cn3ccsc3n2)cc1 ZINC000000023690 169507592 /nfs/dbraw/zinc/50/75/92/169507592.db2.gz GIARQEDFNKBIQY-UHFFFAOYSA-N 0 0 279.162 3.825 50 0 CHAARN O=C(Nc1cccc2ccccc21)OCC(F)(F)F ZINC000000047011 169516425 /nfs/dbraw/zinc/51/64/25/169516425.db2.gz PMOZNNRVDHIFKO-UHFFFAOYSA-N 0 0 269.222 3.951 50 0 CHAARN O=[N+]([O-])/C=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000000063302 169523276 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/nfs/dbraw/zinc/53/65/43/169536543.db2.gz AXNCKNJBQBJPCR-UHFFFAOYSA-N 0 0 255.317 3.564 50 0 CHAARN Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000000123025 169543910 /nfs/dbraw/zinc/54/39/10/169543910.db2.gz AONYSDWJNLNHHQ-UHFFFAOYSA-N 0 0 289.132 3.840 50 0 CHAARN CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000000124796 169544798 /nfs/dbraw/zinc/54/47/98/169544798.db2.gz PAKRAHUFFMXUFR-UHFFFAOYSA-N 0 0 267.357 3.656 50 0 CHAARN Cc1cc(C)cc(OCC(=O)Nc2cccc(Cl)c2)c1 ZINC000000128627 169546433 /nfs/dbraw/zinc/54/64/33/169546433.db2.gz UWHKSSVUYNPWED-UHFFFAOYSA-N 0 0 289.762 3.974 50 0 CHAARN Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(C)c1 ZINC000000130238 169547327 /nfs/dbraw/zinc/54/73/27/169547327.db2.gz YIJSSWZCBJHMEO-UHFFFAOYSA-N 0 0 293.322 3.662 50 0 CHAARN CCOc1ccc(/C=C/C(=O)Oc2ccc(OC)cc2)cc1 ZINC000000144492 169552810 /nfs/dbraw/zinc/55/28/10/169552810.db2.gz GUVDRWVFEPJWLX-AWNIVKPZSA-N 0 0 298.338 3.713 50 0 CHAARN CCOc1ccccc1NC(=O)COc1cccc(CC)c1 ZINC000000145567 169553105 /nfs/dbraw/zinc/55/31/05/169553105.db2.gz LJHHBSFHVSEYRD-UHFFFAOYSA-N 0 0 299.370 3.665 50 0 CHAARN CCn1cnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000000148084 169554402 /nfs/dbraw/zinc/55/44/02/169554402.db2.gz AJLQAGKYEPWVGP-JTQLQIEISA-N 0 0 290.432 3.629 50 0 CHAARN CC(=O)c1sc2nc(-c3ccccc3)cn2c1C ZINC000000151893 169556024 /nfs/dbraw/zinc/55/60/24/169556024.db2.gz JWKVDHGCRFTUBH-UHFFFAOYSA-N 0 0 256.330 3.574 50 0 CHAARN Cc1cc2[nH]c(C(=O)NC3CCCCC3)cc2c(C)c1 ZINC000000171618 169563018 /nfs/dbraw/zinc/56/30/18/169563018.db2.gz HVSCDVSEALONKG-UHFFFAOYSA-N 0 0 270.376 3.847 50 0 CHAARN Cc1cc2[nH]c(C(=O)Nc3cccc(C)n3)cc2c(C)c1 ZINC000000171560 169563100 /nfs/dbraw/zinc/56/31/00/169563100.db2.gz SGNVPEDKINPLCU-UHFFFAOYSA-N 0 0 279.343 3.740 50 0 CHAARN Cc1ccc(SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000000172882 169563716 /nfs/dbraw/zinc/56/37/16/169563716.db2.gz SJEOIAIZOQWPPM-UHFFFAOYSA-N 0 0 275.348 3.865 50 0 CHAARN O=C(NCc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000000183672 169566792 /nfs/dbraw/zinc/56/67/92/169566792.db2.gz LJQHFPZMQPQTEZ-UHFFFAOYSA-N 0 0 270.115 3.516 50 0 CHAARN Cc1ccc(Nc2nc3ccccc3c(=O)s2)cc1 ZINC000000180609 169565894 /nfs/dbraw/zinc/56/58/94/169565894.db2.gz XCUHWYYHTLENLP-UHFFFAOYSA-N 0 0 268.341 3.709 50 0 CHAARN COc1ccc2c(c1)nc(SCc1ccccc1)n2C ZINC000000186911 169568323 /nfs/dbraw/zinc/56/83/23/169568323.db2.gz JILHGFPTXHNEIO-UHFFFAOYSA-N 0 0 284.384 3.874 50 0 CHAARN COc1ccc2c(c1)occ(Oc1ccccc1)c2=O ZINC000000189781 169568998 /nfs/dbraw/zinc/56/89/98/169568998.db2.gz ZGTJGDONIKWWKA-UHFFFAOYSA-N 0 0 268.268 3.594 50 0 biogenic CHAARN COc1ccc2occ([C@H](O)c3ccccc3)c2c1 ZINC000000196649 169571119 /nfs/dbraw/zinc/57/11/19/169571119.db2.gz HQFREHMRVQXXRY-MRXNPFEDSA-N 0 0 254.285 3.523 50 0 CHAARN O=C(Nc1ccccc1)N1CCCC[C@@H]1c1cccnc1 ZINC000000205579 169574222 /nfs/dbraw/zinc/57/42/22/169574222.db2.gz VEOMAYPGEUGWOU-MRXNPFEDSA-N 0 0 281.359 3.841 50 0 biogenic CHAARN CC(C)(C)c1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC=O ZINC000000206987 169574722 /nfs/dbraw/zinc/57/47/22/169574722.db2.gz HKWMHZGILCXXHJ-HNNXBMFYSA-N 0 0 270.376 3.589 50 0 CHAARN COc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000000236014 169582169 /nfs/dbraw/zinc/58/21/69/169582169.db2.gz DKBGDVKITVBKPN-LBPRGKRZSA-N 0 0 270.332 3.578 50 0 CHAARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccccc1Cl ZINC000000231477 169581349 /nfs/dbraw/zinc/58/13/49/169581349.db2.gz XNIGRPFCTCGOCF-UHFFFAOYSA-N 0 0 289.806 3.895 50 0 CHAARN CC(C)[C@@H](C(=O)Nc1nccs1)c1ccccc1 ZINC000000249468 169587110 /nfs/dbraw/zinc/58/71/10/169587110.db2.gz KRDWLOVJYLFTGK-GFCCVEGCSA-N 0 0 260.362 3.521 50 0 CHAARN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1C ZINC000000240622 169583933 /nfs/dbraw/zinc/58/39/33/169583933.db2.gz IZQIQRCBLPNYEN-AWEZNQCLSA-N 0 0 253.345 3.794 50 0 CHAARN Cc1nn(-c2cccc3ccccc32)c2oc(=O)cc(C)c12 ZINC000000262812 169590735 /nfs/dbraw/zinc/59/07/35/169590735.db2.gz JNZGPBRYMRCZOO-UHFFFAOYSA-N 0 0 290.322 3.749 50 0 CHAARN CC(C)COc1ccc([C@@H](O)c2ccccc2)cc1 ZINC000000284546 169596891 /nfs/dbraw/zinc/59/68/91/169596891.db2.gz OKODQRDLCOIERQ-KRWDZBQOSA-N 0 0 256.345 3.803 50 0 CHAARN C[C@@H](CC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000000296990 169600464 /nfs/dbraw/zinc/60/04/64/169600464.db2.gz JEPMPPZEWSYCGJ-ZDUSSCGKSA-N 0 0 282.339 3.834 50 0 CHAARN COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000000299505 169601651 /nfs/dbraw/zinc/60/16/51/169601651.db2.gz BYAVOGOYLDTGLL-UHFFFAOYSA-N 0 0 275.735 3.909 50 0 CHAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CC=CCC1 ZINC000000301357 169602013 /nfs/dbraw/zinc/60/20/13/169602013.db2.gz FBGGOVMWWLQSIM-UHFFFAOYSA-N 0 0 271.147 3.787 50 0 CHAARN COc1ccccc1OCC(=O)Sc1ccc(C)cc1 ZINC000000306937 169604098 /nfs/dbraw/zinc/60/40/98/169604098.db2.gz IQMBLFGTCSGJOW-UHFFFAOYSA-N 0 0 288.368 3.701 50 0 CHAARN CC[C@H](C(=O)Nc1cc(OC)cc(OC)c1)c1ccccc1 ZINC000000312218 169605588 /nfs/dbraw/zinc/60/55/88/169605588.db2.gz ILJICNIDVTVYPT-KRWDZBQOSA-N 0 0 299.370 3.836 50 0 CHAARN Cc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1Cl ZINC000000317747 169606950 /nfs/dbraw/zinc/60/69/50/169606950.db2.gz FYADFYXNFHKCBK-UHFFFAOYSA-N 0 0 288.778 3.967 50 0 CHAARN Cc1cc(OCC(=O)N(C(C)C)C(C)C)cc(C)c1Cl ZINC000000318859 169607507 /nfs/dbraw/zinc/60/75/07/169607507.db2.gz UKCZOLRCDJGLMO-UHFFFAOYSA-N 0 0 297.826 3.981 50 0 CHAARN Cc1sc2nc(-c3ccccc3C)oc(=O)c2c1C ZINC000000314372 169606161 /nfs/dbraw/zinc/60/61/61/169606161.db2.gz JRTBODMKJIMMOP-UHFFFAOYSA-N 0 0 271.341 3.842 50 0 CHAARN O=c1c2ccccc2ncn1-c1c(Cl)cccc1Cl ZINC000000341541 169611718 /nfs/dbraw/zinc/61/17/18/169611718.db2.gz ANQZAFLNVNGSFZ-UHFFFAOYSA-N 0 0 291.137 3.693 50 0 CHAARN Nc1ccccc1Sc1cc(Cl)nnc1Cl ZINC000000337138 169610446 /nfs/dbraw/zinc/61/04/46/169610446.db2.gz MHBYRKMAOVBKEN-UHFFFAOYSA-N 0 0 272.160 3.517 50 0 CHAARN CCc1ccccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C ZINC000000352730 169614858 /nfs/dbraw/zinc/61/48/58/169614858.db2.gz UOAQTVXDFNJWIG-RBUKOAKNSA-N 0 0 299.414 3.973 50 0 CHAARN CC1(C)C(=O)[C@]2(C(=O)Nc3cccc(Cl)c3)CC[C@H]1C2 ZINC000000352944 169614977 /nfs/dbraw/zinc/61/49/77/169614977.db2.gz AYQHCBUMVMKAFK-QFYYESIMSA-N 0 0 291.778 3.674 50 0 CHAARN CC1(C)C(=O)[C@@]2(C(=O)Nc3ccc(Cl)cc3)CC[C@@H]1C2 ZINC000000352952 169615138 /nfs/dbraw/zinc/61/51/38/169615138.db2.gz MOTMTBSQXPJLGU-QLJPJBMISA-N 0 0 291.778 3.674 50 0 CHAARN O=C(/C=C/c1ccco1)Nc1ccc(OC(F)(F)F)cc1 ZINC000000359356 169616457 /nfs/dbraw/zinc/61/64/57/169616457.db2.gz RUMDKWBJRWKDRM-BQYQJAHWSA-N 0 0 297.232 3.830 50 0 CHAARN COc1ccccc1-c1nnc(-c2ccc(F)cc2)o1 ZINC000000359810 169616770 /nfs/dbraw/zinc/61/67/70/169616770.db2.gz GGXKELFEJRJDKV-UHFFFAOYSA-N 0 0 270.263 3.551 50 0 CHAARN COc1ccccc1C(=O)Nc1cc(Cl)ccc1C ZINC000000361828 169617287 /nfs/dbraw/zinc/61/72/87/169617287.db2.gz GCGOIFUXEFSHON-UHFFFAOYSA-N 0 0 275.735 3.909 50 0 CHAARN Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000000362287 169617629 /nfs/dbraw/zinc/61/76/29/169617629.db2.gz BNKVSZYKHXJNGB-UHFFFAOYSA-N 0 0 289.762 3.974 50 0 CHAARN Cc1ccccc1NC(=O)[C@H](C)Oc1ccccc1C ZINC000000364696 169619120 /nfs/dbraw/zinc/61/91/20/169619120.db2.gz CKNRGDXBFAAGKM-AWEZNQCLSA-N 0 0 269.344 3.709 50 0 CHAARN CCSc1nnc(NC(=O)CCC2CCCC2)s1 ZINC000000371993 169621093 /nfs/dbraw/zinc/62/10/93/169621093.db2.gz GSOQNCDVRIXAMA-UHFFFAOYSA-N 0 0 285.438 3.559 50 0 CHAARN C(C1SCCCS1)C1SCCCS1 ZINC000000392961 169628234 /nfs/dbraw/zinc/62/82/34/169628234.db2.gz DCJKPLNHQJEQOL-UHFFFAOYSA-N 0 0 252.495 3.769 50 0 in-vitro CHAARN COc1cc(Br)c(C)c(Br)c1 ZINC000000393249 169628580 /nfs/dbraw/zinc/62/85/80/169628580.db2.gz BZRKRRXRNGVEIZ-UHFFFAOYSA-N 0 0 279.959 3.529 50 0 CHAARN Cc1ccccc1C(=O)N[C@H](C)CCc1ccccc1 ZINC000000406456 169632281 /nfs/dbraw/zinc/63/22/81/169632281.db2.gz FDGTVZWTGMUYFL-OAHLLOKOSA-N 0 0 267.372 3.746 50 0 CHAARN COc1cccc(CNc2ccc(Cl)cc2)c1OC ZINC000000410033 169633747 /nfs/dbraw/zinc/63/37/47/169633747.db2.gz HUGMEOFRWGRYBI-UHFFFAOYSA-N 0 0 277.751 3.969 50 0 CHAARN CC(C)(C)c1csc(NC(=O)C2CCCCC2)n1 ZINC000000413617 169634588 /nfs/dbraw/zinc/63/45/88/169634588.db2.gz IRWLQYROJKUQOP-UHFFFAOYSA-N 0 0 266.410 3.959 50 0 CHAARN O=C1CS[C@H](c2ccccc2)N1c1ccc(F)cc1F ZINC000000424033 169637083 /nfs/dbraw/zinc/63/70/83/169637083.db2.gz RJCMQNMCNWXAED-OAHLLOKOSA-N 0 0 291.322 3.743 50 0 CHAARN CCOc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000000438085 169640386 /nfs/dbraw/zinc/64/03/86/169640386.db2.gz BJIDTUNMZVTQSM-UHFFFAOYSA-N 0 0 283.327 3.540 50 0 CHAARN COC(=O)c1c(N)sc(C)c1-c1ccc(Cl)cc1 ZINC000000442762 169641900 /nfs/dbraw/zinc/64/19/00/169641900.db2.gz YDTXFIUCMWUHLI-UHFFFAOYSA-N 0 0 281.764 3.746 50 0 CHAARN Cc1ccc(OCC(=O)NC2CCCCCCC2)c(C)c1 ZINC000000444746 169642712 /nfs/dbraw/zinc/64/27/12/169642712.db2.gz IDRWBGMAZKJRGB-UHFFFAOYSA-N 0 0 289.419 3.911 50 0 CHAARN CCOc1ccc(NC(=O)c2ccc3ccccc3n2)cc1 ZINC000000447780 169643283 /nfs/dbraw/zinc/64/32/83/169643283.db2.gz VSFWYUITZFXCCA-UHFFFAOYSA-N 0 0 292.338 3.886 50 0 CHAARN COc1ccc([C@@H](C)NC(=O)c2ccc(C)cc2)cc1OC ZINC000000450982 169643927 /nfs/dbraw/zinc/64/39/27/169643927.db2.gz FJFGWPLIVWWMJK-CYBMUJFWSA-N 0 0 299.370 3.503 50 0 CHAARN CO[C@@H](C(=O)Nc1cc(Cl)ccc1C)c1ccccc1 ZINC000000453564 169644453 /nfs/dbraw/zinc/64/44/53/169644453.db2.gz LIXNPDJPMCSMCY-OAHLLOKOSA-N 0 0 289.762 3.975 50 0 CHAARN Cc1cccc(OCc2nc(-c3ccccc3)no2)c1 ZINC000000459440 169646403 /nfs/dbraw/zinc/64/64/03/169646403.db2.gz WNYMBWBZTZONFD-UHFFFAOYSA-N 0 0 266.300 3.624 50 0 CHAARN CC(C)c1ccc(-n2cnc3ccccc3c2=O)cc1 ZINC000000462454 169647249 /nfs/dbraw/zinc/64/72/49/169647249.db2.gz MRVOXKCICYBVHD-UHFFFAOYSA-N 0 0 264.328 3.509 50 0 CHAARN Cc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1 ZINC000000463277 169647382 /nfs/dbraw/zinc/64/73/82/169647382.db2.gz NFWSXQWSKKNVNL-UHFFFAOYSA-N 0 0 282.368 3.786 50 0 CHAARN CCCC(=O)Nc1sc(C)c(CC)c1C(=O)OCC ZINC000000474878 169650375 /nfs/dbraw/zinc/65/03/75/169650375.db2.gz PUMXCNAXCDZHDG-UHFFFAOYSA-N 0 0 283.393 3.534 50 0 CHAARN Cc1cc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)no1 ZINC000000474441 169650440 /nfs/dbraw/zinc/65/04/40/169650440.db2.gz DRPGUDBOSBSLBA-HWKANZROSA-N 0 0 297.141 3.942 50 0 CHAARN O=C(Nc1ccc2c(c1)CCC2)c1ccccc1F ZINC000002648921 184528198 /nfs/dbraw/zinc/52/81/98/184528198.db2.gz UTGKVWWQUXHNRC-UHFFFAOYSA-N 0 0 255.292 3.567 50 0 CHAARN C[C@@H](c1ccccc1)N1c2ccccc2N[C@H](C)CC1=O ZINC000021793489 184536212 /nfs/dbraw/zinc/53/62/12/184536212.db2.gz OHQJISVYTMUQDN-KGLIPLIRSA-N 0 0 280.371 3.985 50 0 CHAARN CC[C@H](C)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000000473458 169649889 /nfs/dbraw/zinc/64/98/89/169649889.db2.gz WMHSFCNWWYFBSS-IWGCBNPKSA-N 0 0 272.175 3.921 50 0 CHAARN COc1ccc(C(=O)CSc2nc3ccccc3[nH]2)cc1 ZINC000000499693 169657174 /nfs/dbraw/zinc/65/71/74/169657174.db2.gz FPGBMTGFXJAICB-UHFFFAOYSA-N 0 0 298.367 3.547 50 0 CHAARN O=C(NCc1ccncc1)Nc1cccc2ccccc21 ZINC000000500519 169657266 /nfs/dbraw/zinc/65/72/66/169657266.db2.gz SERMPYKLNZZZQM-UHFFFAOYSA-N 0 0 277.327 3.557 50 0 CHAARN CC(=O)OC[C@]12COC[C@H](C3=CCCC(C)(C)[C@@H]3C1)[C@@H]2C ZINC000000517225 169660427 /nfs/dbraw/zinc/66/04/27/169660427.db2.gz AOWHBUFUMSNEAB-BWUSGFMJSA-N 0 0 292.419 3.585 50 0 biogenic CHAARN CN(C)C(=O)Cc1ccc(/C=C/C2CCCCC2)cc1 ZINC000096138041 256883749 /nfs/dbraw/zinc/88/37/49/256883749.db2.gz ZLJIJEFKYDOZRW-CMDGGOBGSA-N 0 0 271.404 3.911 50 0 CHAARN CC(C)Oc1cccc(-c2ccc(C(=O)N(C)C)cc2)c1 ZINC000096154048 256884855 /nfs/dbraw/zinc/88/48/55/256884855.db2.gz ZSCXOCSSQWYWQX-UHFFFAOYSA-N 0 0 283.371 3.843 50 0 CHAARN CC1CCC(C(=O)c2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000080340461 177644240 /nfs/dbraw/zinc/64/42/40/177644240.db2.gz KGZBNHUIYWPLIM-UHFFFAOYSA-N 0 0 299.414 3.932 50 0 CHAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(-c2ccccc2)on1 ZINC000000815032 169680635 /nfs/dbraw/zinc/68/06/35/169680635.db2.gz ZLVKFBHADIKPPB-STQMWFEESA-N 0 0 284.359 3.745 50 0 CHAARN COc1ccc2[nH]c3c(ncnc3NCCC(C)C)c2c1 ZINC000000538311 169664591 /nfs/dbraw/zinc/66/45/91/169664591.db2.gz WTBXQVPSESVXGD-UHFFFAOYSA-N 0 0 284.363 3.578 50 0 CHAARN Cc1ccc(C(=O)NCCc2ccccc2)cc1Cl ZINC000000859509 169681299 /nfs/dbraw/zinc/68/12/99/169681299.db2.gz FZBVRUKHPLRJSI-UHFFFAOYSA-N 0 0 273.763 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O=C1S/C(=C\c2ccccc2)C(=O)N1c1cccc(O)c1 ZINC000001235757 169692460 /nfs/dbraw/zinc/69/24/60/169692460.db2.gz HEWHAAULXJBWPJ-ZROIWOOFSA-N 0 0 297.335 3.633 50 0 CHAARN CCCOc1ccccc1[C@@H](C)Nc1nnc(C2CC2)o1 ZINC000095383686 184960434 /nfs/dbraw/zinc/96/04/34/184960434.db2.gz QCZGLZOWRVJSEW-LLVKDONJSA-N 0 0 287.363 3.909 50 0 CHAARN Cc1ccc([C@@H](C)[C@@H](O)C(=O)Nc2cccc(C)c2C)cc1 ZINC000095449980 184989758 /nfs/dbraw/zinc/98/97/58/184989758.db2.gz PHFCNMHYVURLJJ-CRAIPNDOSA-N 0 0 297.398 3.715 50 0 CHAARN O=C(Nc1nccs1)N1CCCC[C@H]2CCCC[C@@H]21 ZINC000095457603 184992637 /nfs/dbraw/zinc/99/26/37/184992637.db2.gz VQOQDXCGJZKHTC-NEPJUHHUSA-N 0 0 279.409 3.720 50 0 CHAARN C[C@@H]1C[C@H](C(=O)OCC2=CC[C@H]3C[C@@H]2C3(C)C)CCC1=O ZINC000095461506 184993534 /nfs/dbraw/zinc/99/35/34/184993534.db2.gz RLYIJPZIICZOPK-UXOAXIEHSA-N 0 0 290.403 3.527 50 0 CHAARN COc1ccc([C@@H](O)Cc2ccc3ccccc3n2)cc1 ZINC000001494990 169709433 /nfs/dbraw/zinc/70/94/33/169709433.db2.gz FBZNXNGYOHLNQT-SFHVURJKSA-N 0 0 279.339 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O=C1O[C@H]2CCCCCC2=NN1c1ccc(Cl)cc1 ZINC000085389248 135036464 /nfs/dbraw/zinc/03/64/64/135036464.db2.gz PHSUJYNXPYQMJY-ZDUSSCGKSA-N 0 0 278.739 3.985 50 0 CHAARN O=C1O[C@@H]2CCCCCC2=NN1c1ccc(Cl)cc1 ZINC000085389243 135036611 /nfs/dbraw/zinc/03/66/11/135036611.db2.gz PHSUJYNXPYQMJY-CYBMUJFWSA-N 0 0 278.739 3.985 50 0 CHAARN Cc1ncsc1C(=O)N1C[C@@H](C)Sc2ccccc21 ZINC000088221192 135053235 /nfs/dbraw/zinc/05/32/35/135053235.db2.gz RFYRRNNQRARLPG-SECBINFHSA-N 0 0 290.413 3.593 50 0 CHAARN CCCC[C@H](CC)C(=O)NCc1ccccc1OC ZINC000002064682 169773403 /nfs/dbraw/zinc/77/34/03/169773403.db2.gz DGHXBLQDTBOMPC-ZDUSSCGKSA-N 0 0 263.381 3.528 50 0 biogenic CHAARN CCCS[C@@H](NC(=O)OCC)C(Cl)(Cl)Cl ZINC000002141202 169776276 /nfs/dbraw/zinc/77/62/76/169776276.db2.gz UQDYKVHYXWKDIR-ZCFIWIBFSA-N 0 0 294.631 3.572 50 0 CHAARN CCOC(=O)c1ccc(-c2ccc(OC)cc2)s1 ZINC000002385704 169789868 /nfs/dbraw/zinc/78/98/68/169789868.db2.gz YUXBXDQIEMWBMS-UHFFFAOYSA-N 0 0 262.330 3.600 50 0 CHAARN Cc1cc2c3nnc(SC(C)C)nc3[nH]c2c(C)c1 ZINC000002482011 169794306 /nfs/dbraw/zinc/79/43/06/169794306.db2.gz BUSGDGAECMZWBM-UHFFFAOYSA-N 0 0 272.377 3.623 50 0 CHAARN Cc1n[nH]c(C)c1CCCCOc1ccc(F)cc1 ZINC000002484813 169794726 /nfs/dbraw/zinc/79/47/26/169794726.db2.gz DKLQEUBYAKTIKE-UHFFFAOYSA-N 0 0 262.328 3.567 50 0 CHAARN O=Cc1c(SCc2ccccc2)nc2sccn12 ZINC000002508414 169796848 /nfs/dbraw/zinc/79/68/48/169796848.db2.gz QXLSEUVUODMJTO-UHFFFAOYSA-N 0 0 274.370 3.501 50 0 CHAARN COc1ccccc1CCC(=O)c1ccccc1F ZINC000002516471 169799289 /nfs/dbraw/zinc/79/92/89/169799289.db2.gz ARGNQSDXKPZXDC-UHFFFAOYSA-N 0 0 258.292 3.650 50 0 CHAARN CC[C@@H](NC(=O)Cc1ccc(OC)cc1)c1ccc(C)cc1 ZINC000002762480 169826626 /nfs/dbraw/zinc/82/66/26/169826626.db2.gz UQOXQWCKPZEKNJ-GOSISDBHSA-N 0 0 297.398 3.814 50 0 CHAARN O=C(Nc1ccc(Cl)cn1)c1cc(-c2ccccc2)on1 ZINC000002791272 169831637 /nfs/dbraw/zinc/83/16/37/169831637.db2.gz JLXPAMWBJXPSSO-UHFFFAOYSA-N 0 0 299.717 3.642 50 0 CHAARN CCCOc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1 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/nfs/dbraw/zinc/85/15/24/169851524.db2.gz LHHAMCVPALNXOF-UHFFFAOYSA-N 0 0 267.115 3.641 50 0 CHAARN Cc1sc(NC(=O)C(C)C)nc1-c1ccccc1 ZINC000003107717 169856902 /nfs/dbraw/zinc/85/69/02/169856902.db2.gz AVWCZBKPYLLEPE-UHFFFAOYSA-N 0 0 260.362 3.713 50 0 CHAARN CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000003157983 169862115 /nfs/dbraw/zinc/86/21/15/169862115.db2.gz WGKCQOGABDWBHK-UHFFFAOYSA-N 0 0 295.791 3.703 50 0 CHAARN Cc1nc(CSc2nc3ccccc3o2)cs1 ZINC000003194645 169867013 /nfs/dbraw/zinc/86/70/13/169867013.db2.gz RKMNIFYHPQJRBP-UHFFFAOYSA-N 0 0 262.359 3.885 50 0 CHAARN Fc1ccc(F)c(NC(=S)NC2CCCCC2)c1 ZINC000003233580 169870255 /nfs/dbraw/zinc/87/02/55/169870255.db2.gz GPBOPFSYLRMHDX-UHFFFAOYSA-N 0 0 270.348 3.584 50 0 CHAARN Cc1ccc(CNc2nc3c(s2)CCCC3)cc1 ZINC000003328478 169879651 /nfs/dbraw/zinc/87/96/51/169879651.db2.gz MEIDONXOYINWQA-UHFFFAOYSA-N 0 0 258.390 3.942 50 0 CHAARN CC[C@H](C(=O)Nc1ncc(C)s1)c1ccccc1 ZINC000003333535 169880081 /nfs/dbraw/zinc/88/00/81/169880081.db2.gz 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275.348 3.945 50 0 CHAARN CC[C@@H](C)NC(=O)c1ccccc1-c1nc2ccccc2[nH]1 ZINC000003901903 169922622 /nfs/dbraw/zinc/92/26/22/169922622.db2.gz RGWARTPRUCFZCR-GFCCVEGCSA-N 0 0 293.370 3.758 50 0 CHAARN CCOC(=O)c1sc(Nc2ccccc2C)nc1C ZINC000004245077 169948214 /nfs/dbraw/zinc/94/82/14/169948214.db2.gz OXDYMCUBIHPMGB-UHFFFAOYSA-N 0 0 276.361 3.680 50 0 CHAARN CC1(C)C(c2cccs2)=N[C@H](c2ccccc2)N1O ZINC000004339132 169958922 /nfs/dbraw/zinc/95/89/22/169958922.db2.gz BYBIZRSWXIIGTB-AWEZNQCLSA-N 0 0 272.373 3.719 50 0 CHAARN c1ccc(Cn2c3ccccc3nc2[C@@H]2CCCO2)cc1 ZINC000004386847 169963858 /nfs/dbraw/zinc/96/38/58/169963858.db2.gz ARJRVNGLTCECOM-KRWDZBQOSA-N 0 0 278.355 3.936 50 0 CHAARN c1ccc(CSc2ccc(-c3ccncc3)nn2)cc1 ZINC000004391868 169964626 /nfs/dbraw/zinc/96/46/26/169964626.db2.gz DULSYOWVMZLJEW-UHFFFAOYSA-N 0 0 279.368 3.831 50 0 CHAARN Cc1ccc(CN2c3ccc(Cl)cc3C(=O)C2=O)c(C)c1 ZINC000004554730 169983360 /nfs/dbraw/zinc/98/33/60/169983360.db2.gz USKXRCSMYOLFDJ-UHFFFAOYSA-N 0 0 299.757 3.686 50 0 CHAARN CCCCc1c2c(nn1-c1ccccc1F)CCCC2=O ZINC000004593571 169987842 /nfs/dbraw/zinc/98/78/42/169987842.db2.gz PDOLBTLKGQBVNB-UHFFFAOYSA-N 0 0 286.350 3.873 50 0 CHAARN NC(=O)c1c(N)sc2c1CCCCCCCCCC2 ZINC000004651416 169992760 /nfs/dbraw/zinc/99/27/60/169992760.db2.gz ZWYJGZBVZUJYQE-UHFFFAOYSA-N 0 0 280.437 3.649 50 0 CHAARN CCCNC(=O)c1ccccc1Oc1ccccc1 ZINC000004690578 169999419 /nfs/dbraw/zinc/99/94/19/169999419.db2.gz VTWIVKLUSAFJEO-UHFFFAOYSA-N 0 0 255.317 3.619 50 0 CHAARN Clc1cccc(CNCc2ccco2)c1Cl ZINC000004700494 170001338 /nfs/dbraw/zinc/00/13/38/170001338.db2.gz FBEQKFVSCUFOJC-UHFFFAOYSA-N 0 0 256.132 3.876 50 0 CHAARN COc1cccc2c1ncc1c2Nc2ccccc2NC1=O ZINC000004708255 170003069 /nfs/dbraw/zinc/00/30/69/170003069.db2.gz HFQFWHYQOCXLLW-UHFFFAOYSA-N 0 0 291.310 3.553 50 0 CHAARN CC(C)n1cc(NC(=O)c2cc(F)c(F)cc2Cl)cn1 ZINC000004721616 170005040 /nfs/dbraw/zinc/00/50/40/170005040.db2.gz MNOXHORUQWRYNH-UHFFFAOYSA-N 0 0 299.708 3.648 50 0 CHAARN CCC(CC)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000004723573 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/nfs/dbraw/zinc/08/15/05/172081505.db2.gz MGVYUJNPGPBJFI-UHFFFAOYSA-N 0 0 272.295 3.643 50 0 CHAARN Cc1noc2nc(C)nc(Nc3cc(C)cc(C)c3)c12 ZINC000035479095 172221561 /nfs/dbraw/zinc/22/15/61/172221561.db2.gz ZXRXOJDAPZRYMM-UHFFFAOYSA-N 0 0 268.320 3.595 50 0 CHAARN CC(C)c1cc([C@H]2CCCN2Cc2ccncc2)on1 ZINC000035511306 172242050 /nfs/dbraw/zinc/24/20/50/172242050.db2.gz SPMRBQXZXZSKBL-OAHLLOKOSA-N 0 0 271.364 3.530 50 0 CHAARN CCc1noc2ncnc(Nc3ccc(C)c(C)c3)c12 ZINC000035528791 172243411 /nfs/dbraw/zinc/24/34/11/172243411.db2.gz MCBZUHQYVHUJBY-UHFFFAOYSA-N 0 0 268.320 3.541 50 0 CHAARN CCOc1ccccc1Nc1nc(C)nc2onc(CC)c21 ZINC000035528830 172243524 /nfs/dbraw/zinc/24/35/24/172243524.db2.gz DUNLANJIANGOSZ-UHFFFAOYSA-N 0 0 298.346 3.631 50 0 CHAARN CCc1noc2nc(C)nc(NC3CCCCCC3)c12 ZINC000035537929 172244400 /nfs/dbraw/zinc/24/44/00/172244400.db2.gz XEMIEJISGAHNPJ-UHFFFAOYSA-N 0 0 274.368 3.623 50 0 CHAARN Cc1nc(-c2cccc(NC(=O)c3ccccc3C)c2)no1 ZINC000035539515 172245348 /nfs/dbraw/zinc/24/53/48/172245348.db2.gz UGTBJDRUYMQTCE-UHFFFAOYSA-N 0 0 293.326 3.606 50 0 CHAARN Cc1cccc(CO[C@@H]2CCCN(C(=O)CC(C)C)C2)c1 ZINC000036314786 172600512 /nfs/dbraw/zinc/60/05/12/172600512.db2.gz ACNKIEIRSPCMFB-QGZVFWFLSA-N 0 0 289.419 3.549 50 0 CHAARN Cc1ccccc1OCCC(=O)NC[C@H](C)c1ccccc1 ZINC000036396158 172633345 /nfs/dbraw/zinc/63/33/45/172633345.db2.gz CQGJKEAFMVBLSE-INIZCTEOSA-N 0 0 297.398 3.684 50 0 CHAARN COC(=O)c1ccc(-c2ccnc(Cl)c2Cl)cc1 ZINC000036532806 172638708 /nfs/dbraw/zinc/63/87/08/172638708.db2.gz ZLDDFNXHJWLKEI-UHFFFAOYSA-N 0 0 282.126 3.842 50 0 CHAARN O=C(c1ccc(F)cc1)N1CCC[C@H]1c1ccccc1F ZINC000036620787 172642232 /nfs/dbraw/zinc/64/22/32/172642232.db2.gz GOFJDYDNVMXTLL-INIZCTEOSA-N 0 0 287.309 3.942 50 0 CHAARN CCOc1ccc2nc(NCc3ccncc3)sc2c1 ZINC000036657598 172644929 /nfs/dbraw/zinc/64/49/29/172644929.db2.gz DGNFHEDWULDGKK-UHFFFAOYSA-N 0 0 285.372 3.702 50 0 CHAARN CCOC(=O)Nc1ccc(N[C@H](C)c2ccccn2)cc1 ZINC000037018839 172881454 /nfs/dbraw/zinc/88/14/54/172881454.db2.gz RRYWPWQMHICUGD-GFCCVEGCSA-N 0 0 285.347 3.823 50 0 CHAARN CC(C)(C)n1cc(C=O)c(-c2ccc(F)c(Cl)c2)n1 ZINC000037311332 173113646 /nfs/dbraw/zinc/11/36/46/173113646.db2.gz MRGISKBCYAKMGX-UHFFFAOYSA-N 0 0 280.730 3.910 50 0 CHAARN Nc1cccc(Sc2ccc(C(F)(F)F)cn2)c1 ZINC000037668131 173610075 /nfs/dbraw/zinc/61/00/75/173610075.db2.gz WGWPZKYOMMUAFC-UHFFFAOYSA-N 0 0 270.279 3.834 50 0 CHAARN Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1C ZINC000037947597 173888872 /nfs/dbraw/zinc/88/88/72/173888872.db2.gz OMVATZCWHRWFGZ-UHFFFAOYSA-N 0 0 265.312 3.937 50 0 CHAARN Cc1csc(CN[C@@H](C)c2ccccc2Cl)n1 ZINC000038090742 174103769 /nfs/dbraw/zinc/10/37/69/174103769.db2.gz XFJDXCAHPUSFJP-JTQLQIEISA-N 0 0 266.797 3.956 50 0 CHAARN COc1ccc(COc2ccc(C(F)(F)F)cn2)cc1 ZINC000038537014 174144776 /nfs/dbraw/zinc/14/47/76/174144776.db2.gz ACZASXZHQDCDLJ-UHFFFAOYSA-N 0 0 283.249 3.688 50 0 CHAARN O=C(NCc1ccc(F)cc1)N1CC[C@H](c2ccccc2)C1 ZINC000038567340 174147588 /nfs/dbraw/zinc/14/75/88/174147588.db2.gz SRCNFFLFOLBRMG-INIZCTEOSA-N 0 0 298.361 3.525 50 0 CHAARN CC[C@H](C(=O)NCc1ccsc1)c1ccccc1 ZINC000038586199 174148624 /nfs/dbraw/zinc/14/86/24/174148624.db2.gz LGCWQWKYMUVRNL-AWEZNQCLSA-N 0 0 259.374 3.558 50 0 CHAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000038671287 174151460 /nfs/dbraw/zinc/15/14/60/174151460.db2.gz NLUFSLBNOOBGTJ-CQSZACIVSA-N 0 0 299.757 3.957 50 0 CHAARN Cc1sc(Br)c(C)c1Br ZINC000039044290 174161729 /nfs/dbraw/zinc/16/17/29/174161729.db2.gz RPCAOQRHVBMFNW-UHFFFAOYSA-N 0 0 269.989 3.890 50 0 CHAARN Nc1ccc(Cl)cc1C(=O)c1ccc(Cl)cc1 ZINC000039218901 174166005 /nfs/dbraw/zinc/16/60/05/174166005.db2.gz JBKFVAVNIDDFFD-UHFFFAOYSA-N 0 0 266.127 3.807 50 0 CHAARN O=C(Nc1ccnn1C1CCCC1)C1CCCCC1 ZINC000039978501 174180999 /nfs/dbraw/zinc/18/09/99/174180999.db2.gz ZSRLGUHAVJPFNP-UHFFFAOYSA-N 0 0 261.369 3.517 50 0 CHAARN O=C(C[C@@H]1C=CCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000039978430 174181060 /nfs/dbraw/zinc/18/10/60/174181060.db2.gz XBPQJWVJJWFMHI-SNVBAGLBSA-N 0 0 285.265 3.880 50 0 CHAARN O=C(Nc1ccccn1)c1cc2cc(Cl)ccc2o1 ZINC000040007740 174182357 /nfs/dbraw/zinc/18/23/57/174182357.db2.gz ILNGZGIILSJJJE-UHFFFAOYSA-N 0 0 272.691 3.734 50 0 CHAARN CC[C@@H]1c2ccsc2CCN1Cc1cc(C)on1 ZINC000040012124 174182527 /nfs/dbraw/zinc/18/25/27/174182527.db2.gz KEFKSLIQUMOCGK-CYBMUJFWSA-N 0 0 262.378 3.554 50 0 CHAARN Cc1cc(Br)ccc1NC(=O)N[C@H](C)C(C)C ZINC000040023868 174182923 /nfs/dbraw/zinc/18/29/23/174182923.db2.gz AJGRLLGIGUBPKX-SNVBAGLBSA-N 0 0 299.212 3.924 50 0 CHAARN Cc1ccc(NC(=O)N[C@H](C)C(C)C)c(Br)c1 ZINC000040023862 174182948 /nfs/dbraw/zinc/18/29/48/174182948.db2.gz XBOIDRSPBAUWSC-SNVBAGLBSA-N 0 0 299.212 3.924 50 0 CHAARN CC(C)[C@@H](C)NC(=O)Nc1cccc(Br)c1 ZINC000040023865 174182950 /nfs/dbraw/zinc/18/29/50/174182950.db2.gz JFMPNGJQZYUWOD-SECBINFHSA-N 0 0 285.185 3.615 50 0 CHAARN CCC[C@H](C)NC(=O)Nc1ccc(C)cc1Cl ZINC000040023787 174182972 /nfs/dbraw/zinc/18/29/72/174182972.db2.gz JIGVVHYOLYGDJL-JTQLQIEISA-N 0 0 254.761 3.959 50 0 CHAARN CCc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1C ZINC000040023820 174183031 /nfs/dbraw/zinc/18/30/31/174183031.db2.gz MFGCQJWNEXKTSU-OCCSQVGLSA-N 0 0 260.381 3.949 50 0 CHAARN C[C@H]1CCCC[C@H]1NC(=O)Nc1cccc2ncccc21 ZINC000040023828 174183188 /nfs/dbraw/zinc/18/31/88/174183188.db2.gz CHGCFKGEPIZJPM-GXTWGEPZSA-N 0 0 283.375 3.935 50 0 CHAARN C[C@H]1C[C@H]1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000040050050 174185163 /nfs/dbraw/zinc/18/51/63/174185163.db2.gz GCGBXHROUOSWRE-UONOGXRCSA-N 0 0 272.392 3.662 50 0 CHAARN C[C@H]1CCC[C@@H](NC(=O)CCc2ccccc2Cl)C1 ZINC000040069705 174186255 /nfs/dbraw/zinc/18/62/55/174186255.db2.gz JOUIEIACLFJSAZ-GXTWGEPZSA-N 0 0 279.811 3.968 50 0 CHAARN Cc1ccc([C@H](C)NC(=O)Cc2c(C)[nH]c3ccccc32)o1 ZINC000040070112 174186301 /nfs/dbraw/zinc/18/63/01/174186301.db2.gz UCHFHPODDZGKNL-ZDUSSCGKSA-N 0 0 296.370 3.798 50 0 CHAARN C[C@@H]1CCC[C@@H](NC(=O)CCc2ccccc2Cl)C1 ZINC000040069704 174186488 /nfs/dbraw/zinc/18/64/88/174186488.db2.gz JOUIEIACLFJSAZ-TZMCWYRMSA-N 0 0 279.811 3.968 50 0 CHAARN COc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1Cl ZINC000040098724 174190536 /nfs/dbraw/zinc/19/05/36/174190536.db2.gz JHRBUFWFXJHOOA-QWRGUYRKSA-N 0 0 296.798 3.858 50 0 CHAARN COc1ccc(C)cc1NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000040097968 174190825 /nfs/dbraw/zinc/19/08/25/174190825.db2.gz AXIJJDFVZJTKNO-GFCCVEGCSA-N 0 0 288.347 3.788 50 0 CHAARN Cc1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2C)o1 ZINC000040103546 174190887 /nfs/dbraw/zinc/19/08/87/174190887.db2.gz BXJSRDUYCQULET-NSHDSACASA-N 0 0 276.311 3.918 50 0 CHAARN O=C(c1n[nH]c2ccccc21)N1CCC[C@@H]1c1ccsc1 ZINC000040107755 174191887 /nfs/dbraw/zinc/19/18/87/174191887.db2.gz UCNKGQDUFYXHNY-CQSZACIVSA-N 0 0 297.383 3.602 50 0 CHAARN CCCCOc1cccc(CNC(=O)c2ccoc2C)c1 ZINC000040122179 174193182 /nfs/dbraw/zinc/19/31/82/174193182.db2.gz FAEPUVDLRKZBCD-UHFFFAOYSA-N 0 0 287.359 3.697 50 0 CHAARN CCN(C(=O)NCc1ccc(C)cc1)C1CCCCC1 ZINC000040119656 174193391 /nfs/dbraw/zinc/19/33/91/174193391.db2.gz UUTBKFWXNWXXRY-UHFFFAOYSA-N 0 0 274.408 3.859 50 0 CHAARN Cc1cc(C)n(-c2cccc(NC(=O)c3ccsc3)c2)n1 ZINC000040134063 174194119 /nfs/dbraw/zinc/19/41/19/174194119.db2.gz BNLXWTGSJZVJKE-UHFFFAOYSA-N 0 0 297.383 3.803 50 0 CHAARN CC[C@H](C)[C@H](NC(=O)C1CCC1)c1nc2ccccc2[nH]1 ZINC000040146161 174194436 /nfs/dbraw/zinc/19/44/36/174194436.db2.gz GBUOVPSOJMUCFN-NHYWBVRUSA-N 0 0 285.391 3.566 50 0 CHAARN CN(C(=O)/C=C/c1cccc(F)c1)c1c(F)cccc1F ZINC000040157906 174194885 /nfs/dbraw/zinc/19/48/85/174194885.db2.gz SYSHLNVJNCJELT-CMDGGOBGSA-N 0 0 291.272 3.780 50 0 CHAARN COc1ccc([C@@H]2CCCN2c2cccc(F)n2)cc1 ZINC000040158428 174195078 /nfs/dbraw/zinc/19/50/78/174195078.db2.gz DDAPRNIFLPHKBF-AWEZNQCLSA-N 0 0 272.323 3.571 50 0 CHAARN C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccs1 ZINC000040155226 174195097 /nfs/dbraw/zinc/19/50/97/174195097.db2.gz RXNUDXRVHPVSCT-NSHDSACASA-N 0 0 296.395 3.989 50 0 CHAARN CCCSc1nnc(COc2cc(C)ccc2C)o1 ZINC000040159282 174195314 /nfs/dbraw/zinc/19/53/14/174195314.db2.gz HQJPYAGZURSFDM-UHFFFAOYSA-N 0 0 278.377 3.768 50 0 CHAARN C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000040160050 174195345 /nfs/dbraw/zinc/19/53/45/174195345.db2.gz AGBTYCCEIOGREX-AUTRQRHGSA-N 0 0 271.282 3.539 50 0 CHAARN CC(C)n1cnnc1SCCCc1ccccc1 ZINC000040161891 174196548 /nfs/dbraw/zinc/19/65/48/174196548.db2.gz ZLINAUUDBYJCRL-UHFFFAOYSA-N 0 0 261.394 3.584 50 0 CHAARN O=C1Nc2ccccc2[C@@H]1Cc1ccc2ncccc2c1 ZINC000040313079 174231722 /nfs/dbraw/zinc/23/17/22/174231722.db2.gz FPEZBRSBCHWZEF-HNNXBMFYSA-N 0 0 274.323 3.513 50 0 biogenic CHAARN Cc1nc(C(=O)Nc2ccncc2)c(-c2ccccc2)s1 ZINC000040326456 174236031 /nfs/dbraw/zinc/23/60/31/174236031.db2.gz HEAVTQJWHVCGJE-UHFFFAOYSA-N 0 0 295.367 3.766 50 0 CHAARN Cc1ccc(OCc2nc3ccccc3n2C)c(C)c1 ZINC000040389130 174251802 /nfs/dbraw/zinc/25/18/02/174251802.db2.gz KWMYFUQGKFIPII-UHFFFAOYSA-N 0 0 266.344 3.769 50 0 CHAARN CCOC(=O)c1c2ccc(N)cc2[nH]c1-c1ccccc1 ZINC000040448267 174265563 /nfs/dbraw/zinc/26/55/63/174265563.db2.gz OYXBHEIHHDRPMU-UHFFFAOYSA-N 0 0 280.327 3.594 50 0 CHAARN Clc1nccc(Nc2cccc(Br)c2)n1 ZINC000040448066 174265631 /nfs/dbraw/zinc/26/56/31/174265631.db2.gz PPJNGASJYDQDDU-UHFFFAOYSA-N 0 0 284.544 3.636 50 0 CHAARN CC(C)Sc1nnc(COc2ccc(Cl)cc2)o1 ZINC000040456967 174267658 /nfs/dbraw/zinc/26/76/58/174267658.db2.gz XRBFNOPWGKHLKL-UHFFFAOYSA-N 0 0 284.768 3.803 50 0 CHAARN C[C@H](SCc1ccco1)c1nc2ccccc2c(=O)[nH]1 ZINC000040456891 174267696 /nfs/dbraw/zinc/26/76/96/174267696.db2.gz WZAXIQMKODCCDD-JTQLQIEISA-N 0 0 286.356 3.511 50 0 CHAARN O=C(Nc1ccccc1Cl)N1CCCCCC1 ZINC000040460206 174270073 /nfs/dbraw/zinc/27/00/73/174270073.db2.gz ZJDHKUXCQRTQNU-UHFFFAOYSA-N 0 0 252.745 3.748 50 0 CHAARN C[C@H](NCc1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000040460656 174270299 /nfs/dbraw/zinc/27/02/99/174270299.db2.gz YRCQOMIWJPNDEV-LBPRGKRZSA-N 0 0 297.333 3.727 50 0 CHAARN C[C@H]1c2ccsc2CCN1C(=O)C1CCCCC1 ZINC000040467711 174276211 /nfs/dbraw/zinc/27/62/11/174276211.db2.gz MGAWHHFGQFGHPK-NSHDSACASA-N 0 0 263.406 3.774 50 0 CHAARN COc1ccc(Cl)cc1CSc1nncn1C1CC1 ZINC000040487661 174289768 /nfs/dbraw/zinc/28/97/68/174289768.db2.gz BRYQKSCGNUWTOQ-UHFFFAOYSA-N 0 0 295.795 3.567 50 0 CHAARN Cc1cccc(NC(=O)N(Cc2ccccn2)C2CC2)c1C ZINC000040525347 174313352 /nfs/dbraw/zinc/31/33/52/174313352.db2.gz UOMCIBAQIMVXGI-UHFFFAOYSA-N 0 0 295.386 3.895 50 0 CHAARN Cc1ccc(CN(C(N)=O)[C@H]2CCc3ccccc32)cc1 ZINC000040556037 174331074 /nfs/dbraw/zinc/33/10/74/174331074.db2.gz DHMHSXFWWMQFMS-KRWDZBQOSA-N 0 0 280.371 3.563 50 0 CHAARN COc1ccc(Nc2cc(C)c(Br)cn2)cc1 ZINC000042784051 174879149 /nfs/dbraw/zinc/87/91/49/174879149.db2.gz KUKYNDAPPRUMKI-UHFFFAOYSA-N 0 0 293.164 3.905 50 0 CHAARN Cc1cc(Br)cnc1N1CCc2ccccc21 ZINC000042783645 174879422 /nfs/dbraw/zinc/87/94/22/174879422.db2.gz ZKFMZXRSNKDUDU-UHFFFAOYSA-N 0 0 289.176 3.847 50 0 CHAARN COc1cccc(C(=O)c2ccc(SC)cc2)c1 ZINC000043209731 174983760 /nfs/dbraw/zinc/98/37/60/174983760.db2.gz CMTWQXKLZGVQAR-UHFFFAOYSA-N 0 0 258.342 3.648 50 0 CHAARN COc1ccc(C)cc1NC(=O)NCc1sccc1C ZINC000043279265 174996860 /nfs/dbraw/zinc/99/68/60/174996860.db2.gz MLJNKXPZISFVAB-UHFFFAOYSA-N 0 0 290.388 3.695 50 0 CHAARN C[C@@H]1CCC[C@@H](C)N1NC(=O)Nc1cccc2cccnc21 ZINC000043529729 175062315 /nfs/dbraw/zinc/06/23/15/175062315.db2.gz KRVAXIPCVWHDAL-CHWSQXEVSA-N 0 0 298.390 3.534 50 0 CHAARN Nc1ccc(NCc2ccccc2)c(Br)c1 ZINC000043596581 175076635 /nfs/dbraw/zinc/07/66/35/175076635.db2.gz PZJHSVXFKKQUPS-UHFFFAOYSA-N 0 0 277.165 3.643 50 0 CHAARN C[C@H](NCc1sccc1Br)c1ccccn1 ZINC000043674940 175088507 /nfs/dbraw/zinc/08/85/07/175088507.db2.gz LBSSPIRKEKQACC-VIFPVBQESA-N 0 0 297.221 3.756 50 0 CHAARN Cc1noc([C@@H](C)Nc2ccc3c4c(cccc42)CC3)n1 ZINC000044586718 175211391 /nfs/dbraw/zinc/21/13/91/175211391.db2.gz VRQFWJVNMHQGGT-SNVBAGLBSA-N 0 0 279.343 3.803 50 0 CHAARN CC(C)c1noc(CN2CCC[C@@H]2c2ccsc2)n1 ZINC000044937872 175281893 /nfs/dbraw/zinc/28/18/93/175281893.db2.gz NJEKLSGSLCJBLV-GFCCVEGCSA-N 0 0 277.393 3.592 50 0 CHAARN COc1cccc(-c2ccc(Br)cc2F)n1 ZINC000045028363 175293289 /nfs/dbraw/zinc/29/32/89/175293289.db2.gz LTNNAZJAWCRBIZ-UHFFFAOYSA-N 0 0 282.112 3.659 50 0 CHAARN Cc1ccc(C(=O)c2cc(Cl)ccc2Cl)nc1 ZINC000045028572 175293815 /nfs/dbraw/zinc/29/38/15/175293815.db2.gz MDSNCMKRQMRKAC-UHFFFAOYSA-N 0 0 266.127 3.928 50 0 CHAARN CC(C)COC(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000045221909 175330642 /nfs/dbraw/zinc/33/06/42/175330642.db2.gz GEHKDDGLLKWNMD-UHFFFAOYSA-N 0 0 284.359 3.877 50 0 CHAARN CC(C)c1ccc2cc(C(=O)NCc3ccco3)[nH]c2c1 ZINC000045262968 175337348 /nfs/dbraw/zinc/33/73/48/175337348.db2.gz FCPXVLNGWWFPSP-UHFFFAOYSA-N 0 0 282.343 3.814 50 0 CHAARN O=C(NCc1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000045683892 175382414 /nfs/dbraw/zinc/38/24/14/175382414.db2.gz XMSUYLLASUQXKD-QGZVFWFLSA-N 0 0 280.371 3.563 50 0 CHAARN CCc1noc(-c2ccc(NC(=O)c3ccccc3)cc2)n1 ZINC000046018793 175389765 /nfs/dbraw/zinc/38/97/65/175389765.db2.gz QUZNXKGGXOWPPX-UHFFFAOYSA-N 0 0 293.326 3.551 50 0 CHAARN CC(C)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000046017906 175389812 /nfs/dbraw/zinc/38/98/12/175389812.db2.gz ZHVPKOGNLBNLGX-ZDUSSCGKSA-N 0 0 251.757 3.660 50 0 CHAARN CCCOc1ccc(CNC(=O)c2cccc(F)c2)cc1 ZINC000046179698 175394244 /nfs/dbraw/zinc/39/42/44/175394244.db2.gz GCYBXSZGRNBNIH-UHFFFAOYSA-N 0 0 287.334 3.545 50 0 CHAARN CC(C)(C)c1nnc(COc2ccc(F)cc2Cl)o1 ZINC000048355418 175430373 /nfs/dbraw/zinc/43/03/73/175430373.db2.gz IKINFTDUOGGFCI-UHFFFAOYSA-N 0 0 284.718 3.739 50 0 CHAARN Cc1cc(-c2csc(-c3cnccn3)n2)c(C)s1 ZINC000048640704 175440943 /nfs/dbraw/zinc/44/09/43/175440943.db2.gz DRHJNKYBNHQWEB-UHFFFAOYSA-N 0 0 273.386 3.945 50 0 CHAARN Clc1nccc(Sc2ccccc2Cl)n1 ZINC000048727868 175445886 /nfs/dbraw/zinc/44/58/86/175445886.db2.gz VSPJOZLNXNALGK-UHFFFAOYSA-N 0 0 257.145 3.935 50 0 CHAARN CC(C)Oc1ccc(NC(=O)Cc2cccs2)cc1 ZINC000048824899 175450791 /nfs/dbraw/zinc/45/07/91/175450791.db2.gz QKBLANBBAADYIM-UHFFFAOYSA-N 0 0 275.373 3.717 50 0 CHAARN O=c1nc(C2CC2)[nH]c2scc(-c3cccs3)c21 ZINC000048860620 175451608 /nfs/dbraw/zinc/45/16/08/175451608.db2.gz CZUYZGGILMGTCV-UHFFFAOYSA-N 0 0 274.370 3.591 50 0 CHAARN c1cc2ncnc(NCCCOc3ccccc3)c2s1 ZINC000049933893 175504417 /nfs/dbraw/zinc/50/44/17/175504417.db2.gz IIAFTNUVCMOWPA-UHFFFAOYSA-N 0 0 285.372 3.572 50 0 CHAARN CCC(CC)n1ncc(C)c1NC(=O)c1cncc(C)c1 ZINC000055369475 175576950 /nfs/dbraw/zinc/57/69/50/175576950.db2.gz DDULBOLAIYXYEK-UHFFFAOYSA-N 0 0 286.379 3.508 50 0 CHAARN C[C@@H](Nc1nc(-c2ccncc2)nc2ccccc21)C1CC1 ZINC000055397489 175578095 /nfs/dbraw/zinc/57/80/95/175578095.db2.gz HWALXOCGHCPFAC-GFCCVEGCSA-N 0 0 290.370 3.902 50 0 CHAARN CNC(=O)c1cnc(/C=C/c2ccc(C(C)C)cc2)s1 ZINC000058168926 175609484 /nfs/dbraw/zinc/60/94/84/175609484.db2.gz MLLWVVSLLGKEFU-RMKNXTFCSA-N 0 0 286.400 3.797 50 0 CHAARN Cc1noc(C)c1NC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000060382072 175637407 /nfs/dbraw/zinc/63/74/07/175637407.db2.gz ZJFDZDDESAUPRA-NSHDSACASA-N 0 0 273.336 3.516 50 0 CHAARN Cc1nc(Cl)nc(C)c1Cc1ccc(Cl)cc1 ZINC000062132631 175664380 /nfs/dbraw/zinc/66/43/80/175664380.db2.gz DTDIOZWLPWZDTM-UHFFFAOYSA-N 0 0 267.159 3.991 50 0 CHAARN Cc1ccc(-c2csc(-c3cnccn3)n2)cc1 ZINC000062580636 175669619 /nfs/dbraw/zinc/66/96/19/175669619.db2.gz RZPOSSBXOLOJDI-UHFFFAOYSA-N 0 0 253.330 3.576 50 0 CHAARN Cc1ccc(C[C@@H]2C(=O)Nc3c2cccc3C)s1 ZINC000064787754 175698326 /nfs/dbraw/zinc/69/83/26/175698326.db2.gz XSMPGWLFCHCEQA-ZDUSSCGKSA-N 0 0 257.358 3.643 50 0 CHAARN CCCCCNC(=O)c1ccc(-c2cccc(C)c2)nc1 ZINC000065030028 175700407 /nfs/dbraw/zinc/70/04/07/175700407.db2.gz BPSGVHNQAHFVPR-UHFFFAOYSA-N 0 0 282.387 3.977 50 0 CHAARN CC(C)CCNC(=O)c1ccc(-c2cccs2)nc1 ZINC000065178036 175702881 /nfs/dbraw/zinc/70/28/81/175702881.db2.gz HSWABEJWWKXZCF-UHFFFAOYSA-N 0 0 274.389 3.586 50 0 CHAARN CCSc1nc2nccc(-c3ccc(Cl)cc3)n2n1 ZINC000065363374 175721845 /nfs/dbraw/zinc/72/18/45/175721845.db2.gz WBSOQLKHKFJTOB-UHFFFAOYSA-N 0 0 290.779 3.557 50 0 CHAARN FC(F)c1nc2ccccc2c(Oc2cccnc2)n1 ZINC000065528901 175747530 /nfs/dbraw/zinc/74/75/30/175747530.db2.gz OBPUPZLXJIUJSC-UHFFFAOYSA-N 0 0 273.242 3.755 50 0 CHAARN Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@H](C)c1ccon1 ZINC000067672907 175781954 /nfs/dbraw/zinc/78/19/54/175781954.db2.gz IRZGKZXJRLOZFT-GFCCVEGCSA-N 0 0 297.358 3.606 50 0 CHAARN O=c1ccn(C2CC2)c(SCc2ccc(Cl)cc2)n1 ZINC000069582000 175840314 /nfs/dbraw/zinc/84/03/14/175840314.db2.gz XKVKGTRVWPOPPW-UHFFFAOYSA-N 0 0 292.791 3.524 50 0 CHAARN CCC(=O)c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 ZINC000070015558 175867323 /nfs/dbraw/zinc/86/73/23/175867323.db2.gz NJLAFTMPQMGHAX-UHFFFAOYSA-N 0 0 296.248 3.880 50 0 CHAARN O=C1C[C@H](c2ccc(O)cc2)c2cnn(C3CCCC3)c2N1 ZINC000071282275 176108649 /nfs/dbraw/zinc/10/86/49/176108649.db2.gz CFLLZXINLNHMKQ-CQSZACIVSA-N 0 0 297.358 3.827 50 0 CHAARN O=C1C[C@H](c2cccc(O)c2)c2cnn(C3CCCC3)c2N1 ZINC000071283133 176109277 /nfs/dbraw/zinc/10/92/77/176109277.db2.gz WTQXEZWOQANDCS-CQSZACIVSA-N 0 0 297.358 3.827 50 0 CHAARN O=C1CS[C@@H](c2cccnc2)c2sccc2N1 ZINC000071282773 176109279 /nfs/dbraw/zinc/10/92/79/176109279.db2.gz PUUIORGFULEDAT-NSHDSACASA-N 0 0 262.359 3.567 50 0 CHAARN COc1cccc([C@H]2CC(=O)Nc3c2cnn3C(C)C)c1 ZINC000071283759 176109481 /nfs/dbraw/zinc/10/94/81/176109481.db2.gz ULQALIWOEBCLAI-CYBMUJFWSA-N 0 0 285.347 3.596 50 0 CHAARN Brc1ccc2c(c1)[C@@H]1CCCC[C@@H]1N2 ZINC000071484269 176188902 /nfs/dbraw/zinc/18/89/02/176188902.db2.gz FWGKDJGZEJDJEF-ONGXEEELSA-N 0 0 252.155 3.901 50 0 CHAARN c1cn(CCCc2ccccc2)c(-c2ccccn2)n1 ZINC000071551705 176196765 /nfs/dbraw/zinc/19/67/65/176196765.db2.gz MZLTVDGCBKKPIW-UHFFFAOYSA-N 0 0 263.344 3.578 50 0 CHAARN CC(C)c1nccc(CN(C)[C@H](C)c2cccs2)n1 ZINC000071639255 176238636 /nfs/dbraw/zinc/23/86/36/176238636.db2.gz ODQSRQQWAOJAPM-GFCCVEGCSA-N 0 0 275.421 3.855 50 0 CHAARN CC(C)c1nnc2sc([C@H]3CCc4ccccc4C3)nn21 ZINC000071746358 176258449 /nfs/dbraw/zinc/25/84/49/176258449.db2.gz KEOXAMITMRGFAX-ZDUSSCGKSA-N 0 0 298.415 3.582 50 0 CHAARN c1cnc2c(c1)CC[C@H]2Nc1nccc(C2CCCC2)n1 ZINC000071758925 176260549 /nfs/dbraw/zinc/26/05/49/176260549.db2.gz WROKWUPATGNVJO-OAHLLOKOSA-N 0 0 280.375 3.629 50 0 CHAARN c1ccc2oc(NCCCOC3CCCCC3)nc2c1 ZINC000071794778 176263977 /nfs/dbraw/zinc/26/39/77/176263977.db2.gz PCLQRVILGNYSCA-UHFFFAOYSA-N 0 0 274.364 3.979 50 0 CHAARN CC(C)NC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000071884012 176289114 /nfs/dbraw/zinc/28/91/14/176289114.db2.gz PWULCJKAYUBENB-NSHDSACASA-N 0 0 289.404 3.579 50 0 CHAARN CC[C@@H](C)c1nnc(-c2cnc3onc(C(C)C)c3c2)o1 ZINC000071890720 176291073 /nfs/dbraw/zinc/29/10/73/176291073.db2.gz KOERXFXCQZQLOI-SECBINFHSA-N 0 0 286.335 3.910 50 0 CHAARN Cc1cccnc1[C@H](NC(=O)c1ccccc1F)C(C)C ZINC000071908532 176297151 /nfs/dbraw/zinc/29/71/51/176297151.db2.gz CAZJKYXTLRMXLO-OAHLLOKOSA-N 0 0 286.350 3.656 50 0 CHAARN Clc1ccc(-c2cc3nnnn3c3ccccc23)cc1 ZINC000071924262 176301321 /nfs/dbraw/zinc/30/13/21/176301321.db2.gz CEBHIAQEPAMCAV-UHFFFAOYSA-N 0 0 280.718 3.598 50 0 CHAARN CC(=O)c1ccc(F)cc1-c1ccnc2[nH]ccc21 ZINC000072135588 176322318 /nfs/dbraw/zinc/32/23/18/176322318.db2.gz NPPVWOXCPKDVQT-UHFFFAOYSA-N 0 0 254.264 3.572 50 0 CHAARN CC(C)OC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000072137139 176323127 /nfs/dbraw/zinc/32/31/27/176323127.db2.gz WQKAQIHBHCXVNS-CQSZACIVSA-N 0 0 265.328 3.898 50 0 CHAARN FC(F)(F)c1cccc(-n2cc(Br)cn2)c1 ZINC000072193388 176336543 /nfs/dbraw/zinc/33/65/43/176336543.db2.gz LAZLUCUQGRIQDE-UHFFFAOYSA-N 0 0 291.070 3.654 50 0 CHAARN O=S(=O)(CC1CCCCC1)NC1CCCCCCC1 ZINC000072230346 176343871 /nfs/dbraw/zinc/34/38/71/176343871.db2.gz SXDQWXWUHFBFLQ-UHFFFAOYSA-N 0 0 287.469 3.599 50 0 CHAARN CC(C)Oc1cc(C(=O)NCc2ccco2)cc2occc21 ZINC000072240178 176347812 /nfs/dbraw/zinc/34/78/12/176347812.db2.gz YJRLMMQMCYICFF-UHFFFAOYSA-N 0 0 299.326 3.743 50 0 CHAARN O=C(c1ccc(-c2ccco2)o1)N1CCc2ccccc2C1 ZINC000072243291 176349750 /nfs/dbraw/zinc/34/97/50/176349750.db2.gz SSHFLUWZXKQFQR-UHFFFAOYSA-N 0 0 293.322 3.738 50 0 CHAARN Nc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)c(Cl)c1 ZINC000072265876 176352099 /nfs/dbraw/zinc/35/20/99/176352099.db2.gz NVZSCSQYYUTATB-ZETCQYMHSA-N 0 0 293.594 3.794 50 0 CHAARN Nc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)c(Cl)c1 ZINC000072265875 176352133 /nfs/dbraw/zinc/35/21/33/176352133.db2.gz NVZSCSQYYUTATB-SSDOTTSWSA-N 0 0 293.594 3.794 50 0 CHAARN COc1ccc(CS[C@@H](C)c2nc(C)no2)cc1F ZINC000072272739 176355178 /nfs/dbraw/zinc/35/51/78/176355178.db2.gz GQNCEOAVRXBDTI-QMMMGPOBSA-N 0 0 282.340 3.520 50 0 CHAARN O[C@H](CSCCc1cccs1)c1ccccc1 ZINC000072278799 176357332 /nfs/dbraw/zinc/35/73/32/176357332.db2.gz PXSAVOZAZATVEA-CQSZACIVSA-N 0 0 264.415 3.757 50 0 CHAARN CC[C@@](C)(NC(=O)c1ccc(C)s1)c1nccs1 ZINC000072292247 176362702 /nfs/dbraw/zinc/36/27/02/176362702.db2.gz XBJSQCUQQSBYBY-CYBMUJFWSA-N 0 0 280.418 3.568 50 0 CHAARN Cc1c(Cl)cccc1NCc1nnsc1Cl ZINC000072314813 176368566 /nfs/dbraw/zinc/36/85/66/176368566.db2.gz QSKAZAAOZQTJLZ-UHFFFAOYSA-N 0 0 274.176 3.765 50 0 CHAARN Cc1ccc(-c2n[nH]cc2C(=O)NC2CCCCCC2)cc1 ZINC000072328914 176369656 /nfs/dbraw/zinc/36/96/56/176369656.db2.gz POIJQVMTDRZDHL-UHFFFAOYSA-N 0 0 297.402 3.838 50 0 CHAARN COc1ccccc1CCC(=O)Nc1cccc2[nH]ccc21 ZINC000072324853 176369794 /nfs/dbraw/zinc/36/97/94/176369794.db2.gz YFQHYNODQKPQEL-UHFFFAOYSA-N 0 0 294.354 3.748 50 0 biogenic CHAARN C[C@H](NC(=O)c1c[nH]nc1-c1cccs1)c1ccccc1 ZINC000072329464 176369980 /nfs/dbraw/zinc/36/99/80/176369980.db2.gz TUJFBCQNQZNLOK-NSHDSACASA-N 0 0 297.383 3.629 50 0 CHAARN CCc1ccc(C(=O)NCc2ccc(F)cc2Cl)cc1 ZINC000072331624 176370118 /nfs/dbraw/zinc/37/01/18/176370118.db2.gz PFFYQAVAGBDKHH-UHFFFAOYSA-N 0 0 291.753 3.972 50 0 CHAARN CC(C)(C)[C@@H]1CC(=O)Nc2c1cnn2Cc1ccco1 ZINC000072405267 176397365 /nfs/dbraw/zinc/39/73/65/176397365.db2.gz ZBFZSDUWFUZPHC-GFCCVEGCSA-N 0 0 273.336 3.646 50 0 CHAARN C[C@@H]1CCN(C(=O)NCc2ccco2)[C@@H](c2ccco2)C1 ZINC000076082534 176905823 /nfs/dbraw/zinc/90/58/23/176905823.db2.gz PNERRZFEBSPRMS-TZMCWYRMSA-N 0 0 288.347 3.555 50 0 CHAARN Cc1cccc(C)c1OCc1nccn1CC(F)(F)F ZINC000076693849 177060043 /nfs/dbraw/zinc/06/00/43/177060043.db2.gz VDAFANSUQWCUEC-UHFFFAOYSA-N 0 0 284.281 3.641 50 0 CHAARN Cc1nc(COc2cccc(NC(=O)C(C)C)c2)cs1 ZINC000076698183 177061150 /nfs/dbraw/zinc/06/11/50/177061150.db2.gz GYJADOFDCVWGJN-UHFFFAOYSA-N 0 0 290.388 3.625 50 0 CHAARN Cn1cccc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077301920 177250377 /nfs/dbraw/zinc/25/03/77/177250377.db2.gz UMCQKJHKKHASNW-OAHLLOKOSA-N 0 0 286.350 3.532 50 0 CHAARN CN(Cc1cccc2ncccc12)C(=O)[C@H]1CC=CCC1 ZINC000077301659 177250881 /nfs/dbraw/zinc/25/08/81/177250881.db2.gz YXZKNLFTAZYFLK-AWEZNQCLSA-N 0 0 280.371 3.550 50 0 CHAARN CC(C)Oc1ccccc1C[S@@](=O)Cc1ccccc1 ZINC000078556025 177353762 /nfs/dbraw/zinc/35/37/62/177353762.db2.gz AVNJNRZVMWFVIY-HXUWFJFHSA-N 0 0 288.412 3.923 50 0 CHAARN C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1ccccc1 ZINC000078556028 177353907 /nfs/dbraw/zinc/35/39/07/177353907.db2.gz NSJIIMDUBQPLSR-KPZWWZAWSA-N 0 0 262.349 3.836 50 0 CHAARN CC(C)(C)[C@@H](O)CNc1ncc(C(F)(F)F)cc1Cl ZINC000078669915 177368961 /nfs/dbraw/zinc/36/89/61/177368961.db2.gz XBOCYLOIWFMXCG-VIFPVBQESA-N 0 0 296.720 3.573 50 0 CHAARN CC[C@@H](C)Sc1nnc(Cc2ccccc2OC)o1 ZINC000078838328 177397201 /nfs/dbraw/zinc/39/72/01/177397201.db2.gz RVKUFGMNIKMECZ-SNVBAGLBSA-N 0 0 278.377 3.560 50 0 CHAARN CC(C)[C@@H]1CCN(C(=O)[C@@H]2SCCc3ccccc32)C1 ZINC000079070418 177427250 /nfs/dbraw/zinc/42/72/50/177427250.db2.gz NFIQJVPDWVDDDO-GDBMZVCRSA-N 0 0 289.444 3.522 50 0 CHAARN C[C@H](Oc1ccccc1C(N)=O)c1ccccc1Cl ZINC000014124118 260078600 /nfs/dbraw/zinc/07/86/00/260078600.db2.gz WFCHKCKBHAMAMW-JTQLQIEISA-N 0 0 275.735 3.579 50 0 CHAARN Cc1ccc([C@@H]2CCCN2C(=O)C2CCCC2)cc1 ZINC000032754090 225298427 /nfs/dbraw/zinc/29/84/27/225298427.db2.gz PBRWDUHNJVCAMJ-INIZCTEOSA-N 0 0 257.377 3.849 50 0 CHAARN Cc1nc(CSCCC(=O)Nc2ccccc2)cs1 ZINC000009065666 260034656 /nfs/dbraw/zinc/03/46/56/260034656.db2.gz GYIFVCDOIZUGGF-UHFFFAOYSA-N 0 0 292.429 3.714 50 0 CHAARN Cc1ccc(NCc2nc(-c3cccs3)no2)cc1 ZINC000037389999 260098471 /nfs/dbraw/zinc/09/84/71/260098471.db2.gz CMHWEYRPWYRVLF-UHFFFAOYSA-N 0 0 271.345 3.719 50 0 CHAARN O=C(Nc1cccnc1)c1cccc2c3c([nH]c21)CCCC3 ZINC000032796401 260145817 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Cc1cnc(NC(=O)CCc2c[nH]c3ccccc23)s1 ZINC000003543558 566851779 /nfs/dbraw/zinc/85/17/79/566851779.db2.gz DWSBRZWGQNNJMS-UHFFFAOYSA-N 0 0 285.372 3.504 50 0 CHAARN C=Cc1ccc(NC(=O)N2CCC(CSC)CC2)cc1 ZINC000299793147 566854049 /nfs/dbraw/zinc/85/40/49/566854049.db2.gz JNPPTFXOSJVEJW-UHFFFAOYSA-N 0 0 290.432 3.937 50 0 CHAARN O=C(Cc1ccccc1Cl)NC1CCC(F)(F)CC1 ZINC000336394633 566855480 /nfs/dbraw/zinc/85/54/80/566855480.db2.gz RSYWDYNSOWNMOP-UHFFFAOYSA-N 0 0 287.737 3.577 50 0 CHAARN CC1=C[C@H](C)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C ZINC000004027115 566856150 /nfs/dbraw/zinc/85/61/50/566856150.db2.gz VRAQFSFGVZLHAG-AYJJNYRMSA-N 0 0 286.371 3.951 50 0 biogenic CHAARN O=C(Cn1ccc2ccccc21)Nc1ccc2cc[nH]c2c1 ZINC000032123808 566863412 /nfs/dbraw/zinc/86/34/12/566863412.db2.gz PHHHFYDGARRMEL-UHFFFAOYSA-N 0 0 289.338 3.761 50 0 biogenic CHAARN O=C(NCc1ccc(F)cc1)C1(c2ccccc2)CCCC1 ZINC000001361993 566864001 /nfs/dbraw/zinc/86/40/01/566864001.db2.gz JRNQWNATHCZTMZ-UHFFFAOYSA-N 0 0 297.373 3.954 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CC(=O)O[C@@H]1CCCCc2ccc(cc2)CCCCC1=O ZINC000004530627 566909821 /nfs/dbraw/zinc/90/98/21/566909821.db2.gz QFEGGERSLKWXCJ-GOSISDBHSA-N 0 0 288.387 3.627 50 0 CHAARN CSc1nc2c(c(Nc3ccccc3F)n1)CCC2 ZINC000015831936 566910152 /nfs/dbraw/zinc/91/01/52/566910152.db2.gz ZPROPXGHQXBPSQ-UHFFFAOYSA-N 0 0 275.352 3.570 50 0 CHAARN COc1cccc(C(=O)Nc2ccc(F)cc2F)c1Cl ZINC000004542866 566911230 /nfs/dbraw/zinc/91/12/30/566911230.db2.gz PQXIFQBHDKHOJK-UHFFFAOYSA-N 0 0 297.688 3.879 50 0 CHAARN C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1CO ZINC000001589786 566912650 /nfs/dbraw/zinc/91/26/50/566912650.db2.gz YJUJEOHFRXOTNW-RRMSZZPISA-N 0 0 250.341 3.522 50 0 CHAARN CC(C)[C@@]1(CSc2ccccc2)CCC[C@H]1O ZINC000043762664 566916675 /nfs/dbraw/zinc/91/66/75/566916675.db2.gz YKPJWTLXWXELIN-CABCVRRESA-N 0 0 250.407 3.966 50 0 CHAARN COCc1cccc(C(=O)Nc2c(C)cccc2C)c1 ZINC000012894091 566926880 /nfs/dbraw/zinc/92/68/80/566926880.db2.gz MWFPNBYKALUPDI-UHFFFAOYSA-N 0 0 269.344 3.702 50 0 CHAARN CCCCN(C)C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000012898098 566928240 /nfs/dbraw/zinc/92/82/40/566928240.db2.gz ZAOLTFNAVFXZNG-UHFFFAOYSA-N 0 0 258.365 3.657 50 0 CHAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(C)oc2C)cc1 ZINC000012898527 566929016 /nfs/dbraw/zinc/92/90/16/566929016.db2.gz XXKRMNMIZBNMHP-KRWDZBQOSA-N 0 0 299.370 3.882 50 0 CHAARN O=C(NC1CCCCC1)c1csc(-c2ccccc2)n1 ZINC000012930666 566929821 /nfs/dbraw/zinc/92/98/21/566929821.db2.gz SPESUUGIJACFGG-UHFFFAOYSA-N 0 0 286.400 3.873 50 0 CHAARN CCCCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000575410869 566932531 /nfs/dbraw/zinc/93/25/31/566932531.db2.gz HQNREVJCNQGGTL-UHFFFAOYSA-N 0 0 294.354 3.769 50 0 CHAARN Clc1ccccc1-c1csc(Cn2ccnc2)n1 ZINC000186664705 566933854 /nfs/dbraw/zinc/93/38/54/566933854.db2.gz KMZCGDLAUFDXQZ-UHFFFAOYSA-N 0 0 275.764 3.708 50 0 CHAARN CCNC(=O)c1cccc(C)c1OCCCc1ccccc1 ZINC000075105143 566936142 /nfs/dbraw/zinc/93/61/42/566936142.db2.gz OAPJEKUWTKRZFU-UHFFFAOYSA-N 0 0 297.398 3.756 50 0 CHAARN CCc1cccc(C)c1NCc1cn2c(n1)nc(C)cc2C ZINC000075094728 566936769 /nfs/dbraw/zinc/93/67/69/566936769.db2.gz WTEMGJHKVFMDTR-UHFFFAOYSA-N 0 0 294.402 3.829 50 0 CHAARN O=C(C/C=C/CC(=O)Oc1ccccc1)Oc1ccccc1 ZINC000075260935 566937961 /nfs/dbraw/zinc/93/79/61/566937961.db2.gz XEURUTCJUHHHQJ-BQYQJAHWSA-N 0 0 296.322 3.534 50 0 CHAARN O=C(Nc1cnoc1)c1ccc(Oc2ccccc2)cc1 ZINC000075170904 566938458 /nfs/dbraw/zinc/93/84/58/566938458.db2.gz NXDIBWXAYUAMDY-UHFFFAOYSA-N 0 0 280.283 3.719 50 0 CHAARN CC(C)N1C[C@H](c2ccccc2)Oc2ccccc2C1=O ZINC000075249356 566938582 /nfs/dbraw/zinc/93/85/82/566938582.db2.gz CKWQGPUUTCWKQT-QGZVFWFLSA-N 0 0 281.355 3.671 50 0 CHAARN COc1ccc(-c2c(C)n3ccccc3c2C=O)cc1 ZINC000075278219 566940671 /nfs/dbraw/zinc/94/06/71/566940671.db2.gz INBOMKWYEXWLOL-UHFFFAOYSA-N 0 0 265.312 3.736 50 0 CHAARN CC[C@@H](C(=O)c1ccc(OC)cc1)c1ccc(N)cc1 ZINC000075284146 566941225 /nfs/dbraw/zinc/94/12/25/566941225.db2.gz GBMZKXDCMKVKNL-MRXNPFEDSA-N 0 0 269.344 3.654 50 0 CHAARN C[C@@H](Cc1csc2ccccc12)NC(=O)C1CCC1 ZINC000575606059 566944259 /nfs/dbraw/zinc/94/42/59/566944259.db2.gz JNIPUYDPQRGKSG-NSHDSACASA-N 0 0 273.401 3.749 50 0 CHAARN O=C(NCc1ccc(-c2ccoc2)o1)c1ccsc1 ZINC000575609496 566945502 /nfs/dbraw/zinc/94/55/02/566945502.db2.gz CPRYNFAHTUCNNM-UHFFFAOYSA-N 0 0 273.313 3.531 50 0 CHAARN Cc1ccccc1NC(=O)NCc1cncc(C2CC2)c1 ZINC000575621448 566948480 /nfs/dbraw/zinc/94/84/80/566948480.db2.gz XVEYNLAHXPPTPW-UHFFFAOYSA-N 0 0 281.359 3.589 50 0 CHAARN C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccccc1F ZINC000037980219 566948629 /nfs/dbraw/zinc/94/86/29/566948629.db2.gz OYTPHIOMKWACMJ-VIFPVBQESA-N 0 0 289.272 3.629 50 0 CHAARN CCOc1ccccc1NC(=O)c1ccc(Cl)o1 ZINC000012980696 566952890 /nfs/dbraw/zinc/95/28/90/566952890.db2.gz VKVFXYZUMHFBJG-UHFFFAOYSA-N 0 0 265.696 3.584 50 0 CHAARN COCc1cccc(C(=O)NCC(C)(C)c2ccccc2)c1 ZINC000032817292 566955342 /nfs/dbraw/zinc/95/53/42/566955342.db2.gz VQQXTVSNVRHHIN-UHFFFAOYSA-N 0 0 297.398 3.541 50 0 CHAARN C[C@H](NC(=O)c1ccccc1O)c1cccc(Cl)c1 ZINC000012999631 566956738 /nfs/dbraw/zinc/95/67/38/566956738.db2.gz RLAWJHKSXZELKV-JTQLQIEISA-N 0 0 275.735 3.537 50 0 CHAARN Cc1ccc([C@H](NC(=O)C2CC2)c2cccs2)cc1 ZINC000013022642 566960802 /nfs/dbraw/zinc/96/08/02/566960802.db2.gz RNQWEVFDGAMPJJ-HNNXBMFYSA-N 0 0 271.385 3.672 50 0 CHAARN CN(Cc1ccccc1)C(=O)CCc1ccc2cc[nH]c2c1 ZINC000075550845 566970347 /nfs/dbraw/zinc/97/03/47/566970347.db2.gz VGNKYGVBESAPND-UHFFFAOYSA-N 0 0 292.382 3.759 50 0 CHAARN COc1cc(C)c2c(c1)occ(-c1csc(C)n1)c2=O ZINC000000407266 566974634 /nfs/dbraw/zinc/97/46/34/566974634.db2.gz BCDANJNMNJWVDR-UHFFFAOYSA-N 0 0 287.340 3.542 50 0 biogenic CHAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1N ZINC000003874044 566975471 /nfs/dbraw/zinc/97/54/71/566975471.db2.gz SOXAGEOHPCXXIO-XJKCOSOUSA-N 0 0 275.392 3.886 50 0 biogenic,world CHAARN O=c1ccc2c(o1)/C(=C/C=C(Cl)Cl)CCC2 ZINC000012653787 566977086 /nfs/dbraw/zinc/97/70/86/566977086.db2.gz TXIZUPRKXYUHNR-XBXARRHUSA-N 0 0 257.116 3.679 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CCCCOc1ccc(C)cc1-c1cnc2nc(C)nn2c1 ZINC000426473474 566987730 /nfs/dbraw/zinc/98/77/30/566987730.db2.gz IUPHXGDHLKRKDB-UHFFFAOYSA-N 0 0 296.374 3.587 50 0 CHAARN COc1cc(C)c(-c2ccc(OC(C)C)nn2)c(C)c1 ZINC000426597435 566987778 /nfs/dbraw/zinc/98/77/78/566987778.db2.gz SJIHKSDXQBTZML-UHFFFAOYSA-N 0 0 272.348 3.556 50 0 CHAARN CO[C@@H](C)c1ccc(-c2ccc(C(C)C)nn2)cc1 ZINC000426420257 566987876 /nfs/dbraw/zinc/98/78/76/566987876.db2.gz RTBAKYNDURTVFJ-LBPRGKRZSA-N 0 0 256.349 3.974 50 0 CHAARN CC(C)Oc1ccccc1-c1cc(C2CC2)ncn1 ZINC000426548497 566988245 /nfs/dbraw/zinc/98/82/45/566988245.db2.gz KIGGJMXIHYTOSD-UHFFFAOYSA-N 0 0 254.333 3.808 50 0 CHAARN Cc1ccc(NC(=O)n2ncc3ccc(C)cc32)cc1 ZINC000064662658 566991869 /nfs/dbraw/zinc/99/18/69/566991869.db2.gz JHHWYJNWECQTLV-UHFFFAOYSA-N 0 0 265.316 3.733 50 0 CHAARN Cc1ccc(N[C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000036122071 566993154 /nfs/dbraw/zinc/99/31/54/566993154.db2.gz CNXWSYYNTZRFTE-ZNMIVQPWSA-N 0 0 274.408 3.585 50 0 CHAARN Cc1ccccc1NC(=O)CCSCc1ccco1 ZINC000039427611 566994913 /nfs/dbraw/zinc/99/49/13/566994913.db2.gz UHZXANZQSHUYSF-UHFFFAOYSA-N 0 0 275.373 3.850 50 0 CHAARN Cc1ccoc1C(=O)Nc1cccnc1-c1ccccc1 ZINC000152803552 566996335 /nfs/dbraw/zinc/99/63/35/566996335.db2.gz ANAUYVMCBFOMIY-UHFFFAOYSA-N 0 0 278.311 3.902 50 0 CHAARN O=C(c1cc(Cl)ccn1)N1CCC[C@@H]1c1ccsc1 ZINC000037990761 566996627 /nfs/dbraw/zinc/99/66/27/566996627.db2.gz XMVNVMWGBUYJQW-CYBMUJFWSA-N 0 0 292.791 3.774 50 0 CHAARN CCCOCc1ccccc1CNc1cncc(Cl)n1 ZINC000064914666 566996644 /nfs/dbraw/zinc/99/66/44/566996644.db2.gz XELYKGXDCSZDAR-UHFFFAOYSA-N 0 0 291.782 3.669 50 0 CHAARN CN(Cc1ccc(Cl)s1)C(=O)c1ccccc1F ZINC000037975994 566997414 /nfs/dbraw/zinc/99/74/14/566997414.db2.gz SPLXHXYIMUIINO-UHFFFAOYSA-N 0 0 283.755 3.813 50 0 CHAARN Cn1c2ccccc2nc1-c1ccc(Br)o1 ZINC000002450358 567001349 /nfs/dbraw/zinc/00/13/49/567001349.db2.gz UANYWSTWMGECJO-UHFFFAOYSA-N 0 0 277.121 3.596 50 0 CHAARN C[C@@H](NC(=O)c1cccn1C)c1ccc(C(F)(F)F)cc1 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Cc1ccc(NC(=O)CC(=O)c2ccccc2)cc1C ZINC000003267324 567165742 /nfs/dbraw/zinc/16/57/42/567165742.db2.gz KFGKMEPSLNWSIX-UHFFFAOYSA-N 0 0 267.328 3.515 50 0 CHAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccccc1 ZINC000003217763 567166099 /nfs/dbraw/zinc/16/60/99/567166099.db2.gz DTDLLIWDDAEFBA-CYBMUJFWSA-N 0 0 283.396 3.757 50 0 CHAARN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)nc1 ZINC000057994765 567166814 /nfs/dbraw/zinc/16/68/14/567166814.db2.gz RWLRTAYFLPVPLU-UHFFFAOYSA-N 0 0 280.249 3.661 50 0 CHAARN Cc1ccccc1OC(=O)c1ccc2ncsc2c1 ZINC000003276713 567168635 /nfs/dbraw/zinc/16/86/35/567168635.db2.gz ZLFLWVQFIQBQDW-UHFFFAOYSA-N 0 0 269.325 3.824 50 0 CHAARN Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3C)n2)cc1 ZINC000003333588 567170497 /nfs/dbraw/zinc/17/04/97/567170497.db2.gz IBAKFBQLUUVAOS-ZYHUDNBSSA-N 0 0 272.373 3.713 50 0 CHAARN Nc1c2ccccc2oc1C(=O)c1ccc(F)c(F)c1 ZINC000003333018 567170524 /nfs/dbraw/zinc/17/05/24/567170524.db2.gz DELIAZDNQOYTOC-UHFFFAOYSA-N 0 0 273.238 3.524 50 0 CHAARN O=C(COc1ccc(Cl)cc1Cl)c1ccc[nH]1 ZINC000003374109 567171992 /nfs/dbraw/zinc/17/19/92/567171992.db2.gz SXDMTLDFXRWOAI-UHFFFAOYSA-N 0 0 270.115 3.583 50 0 CHAARN CCOc1ccccc1OC(=O)c1sccc1C ZINC000003363403 567172268 /nfs/dbraw/zinc/17/22/68/567172268.db2.gz NNWGWVMUCDWSDE-UHFFFAOYSA-N 0 0 262.330 3.674 50 0 CHAARN CC1CCN(CC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000003357073 567172417 /nfs/dbraw/zinc/17/24/17/567172417.db2.gz UOFAIZIQHDCOAA-UHFFFAOYSA-N 0 0 285.309 3.620 50 0 CHAARN O=C(NCCc1ccccc1)c1cc2c(s1)CCCC2 ZINC000003359146 567172734 /nfs/dbraw/zinc/17/27/34/567172734.db2.gz LTNDGIHRJLEZSN-UHFFFAOYSA-N 0 0 285.412 3.599 50 0 CHAARN COc1cccc(CC(=O)Nc2ccccc2Cl)c1 ZINC000003483354 567176497 /nfs/dbraw/zinc/17/64/97/567176497.db2.gz LAHMARZCJRTOLU-UHFFFAOYSA-N 0 0 275.735 3.530 50 0 CHAARN O=C(NCCC1=CCCCC1)NCc1ccc(F)cc1 ZINC000030982416 567176978 /nfs/dbraw/zinc/17/69/78/567176978.db2.gz POLQEXXXFDCSJO-UHFFFAOYSA-N 0 0 276.355 3.515 50 0 CHAARN O=C(Nc1nc(-c2ccccc2)cs1)C1CCC1 ZINC000003561747 567177955 /nfs/dbraw/zinc/17/79/55/567177955.db2.gz HEIBSPGFAPXMPJ-UHFFFAOYSA-N 0 0 258.346 3.549 50 0 CHAARN COc1cc2ccccc2cc1C(=O)Nc1ncc(C)s1 ZINC000003560746 567178657 /nfs/dbraw/zinc/17/86/57/567178657.db2.gz XAMXXEVGTPCQGQ-UHFFFAOYSA-N 0 0 298.367 3.866 50 0 CHAARN CCC(=O)Nc1cccc(NC(=O)[C@@H]2CC=CCC2)c1C ZINC000031113847 567178925 /nfs/dbraw/zinc/17/89/25/567178925.db2.gz LPZBTNHRYIHQQS-CYBMUJFWSA-N 0 0 286.375 3.638 50 0 CHAARN CCCCOc1ccc(C(=O)Nc2nccs2)cc1 ZINC000003561898 567179053 /nfs/dbraw/zinc/17/90/53/567179053.db2.gz ZAYZVPIIRIYVSY-UHFFFAOYSA-N 0 0 276.361 3.574 50 0 CHAARN COc1cccc(CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000003549327 567179191 /nfs/dbraw/zinc/17/91/91/567179191.db2.gz MHHKISSCHMPKFC-UHFFFAOYSA-N 0 0 275.735 3.530 50 0 CHAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Br)c1 ZINC000003613650 567180546 /nfs/dbraw/zinc/18/05/46/567180546.db2.gz SPKGAGSONNJNFU-ZWNOBZJWSA-N 0 0 296.208 3.758 50 0 CHAARN CC(C)c1nc(CC(=O)N[C@@H](C)c2cccs2)cs1 ZINC000031699447 567181229 /nfs/dbraw/zinc/18/12/29/567181229.db2.gz IHCSUKSNLADZCX-JTQLQIEISA-N 0 0 294.445 3.748 50 0 CHAARN O=C(CCCc1nc2ccccc2o1)Nc1ccccc1 ZINC000031808806 567182588 /nfs/dbraw/zinc/18/25/88/567182588.db2.gz GEPVGBDZJCESOS-UHFFFAOYSA-N 0 0 280.327 3.789 50 0 CHAARN COc1ccc2[nH]c(=O)c(CC=C(Cl)Cl)c(C)c2c1 ZINC000003984921 567182778 /nfs/dbraw/zinc/18/27/78/567182778.db2.gz GFRBHHCXRNIBDI-UHFFFAOYSA-N 0 0 298.169 3.707 50 0 biogenic CHAARN C[C@]12CCO[C@@H]1N(Cc1ccccc1)c1ccccc12 ZINC000003999284 567182833 /nfs/dbraw/zinc/18/28/33/567182833.db2.gz NCMVPGABXJTSGZ-ZWKOTPCHSA-N 0 0 265.356 3.711 50 0 biogenic CHAARN Cc1ccsc1-c1nnc(SCCOC(C)C)o1 ZINC000069568741 567202075 /nfs/dbraw/zinc/20/20/75/567202075.db2.gz ITNWMRFDWHEDJF-UHFFFAOYSA-N 0 0 284.406 3.624 50 0 CHAARN Cc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1C ZINC000031943918 567185710 /nfs/dbraw/zinc/18/57/10/567185710.db2.gz SIJLAKSUTDZFHS-UHFFFAOYSA-N 0 0 280.327 3.618 50 0 CHAARN CCCCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1 ZINC000004045549 567185784 /nfs/dbraw/zinc/18/57/84/567185784.db2.gz LQLUPUIMDSQRPQ-QGZVFWFLSA-N 0 0 296.370 3.720 50 0 CHAARN Fc1ccc(CO[C@@H]2CCOc3ccccc32)cc1 ZINC000004107014 567186498 /nfs/dbraw/zinc/18/64/98/567186498.db2.gz XQAHRPDGNVJSON-MRXNPFEDSA-N 0 0 258.292 3.866 50 0 CHAARN O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccco1 ZINC000004224047 567192410 /nfs/dbraw/zinc/19/24/10/567192410.db2.gz TUPYHWSORBZBIA-UHFFFAOYSA-N 0 0 298.323 3.548 50 0 CHAARN Cc1cc(Nc2ccccc2)c2cc(C(=O)[O-])ccc2[nH+]1 ZINC000004226492 567193164 /nfs/dbraw/zinc/19/31/64/567193164.db2.gz LAESUXRBXOMZGV-UHFFFAOYSA-N 0 0 278.311 3.985 50 0 CHAARN COc1ccc(NC(=O)c2ccc(Cl)o2)c(C)c1 ZINC000171305278 567195054 /nfs/dbraw/zinc/19/50/54/567195054.db2.gz NBTJJEJURWVJNV-UHFFFAOYSA-N 0 0 265.696 3.502 50 0 CHAARN CSCCc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000069163971 567199117 /nfs/dbraw/zinc/19/91/17/567199117.db2.gz PJFBNTJFKOGSJV-UHFFFAOYSA-N 0 0 290.388 3.507 50 0 CHAARN CN1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000039932402 567199146 /nfs/dbraw/zinc/19/91/46/567199146.db2.gz QIHJUJTVRZRJHV-CYBMUJFWSA-N 0 0 260.337 3.668 50 0 CHAARN Cc1cccc(NC(=O)Nc2ccc(N3CCCC3)nc2)c1 ZINC000010464293 567206950 /nfs/dbraw/zinc/20/69/50/567206950.db2.gz AGNJRYHVXVGYPF-UHFFFAOYSA-N 0 0 296.374 3.634 50 0 CHAARN FC(F)(F)c1ccnc(Oc2ccc3ncccc3c2)n1 ZINC000065202937 567219591 /nfs/dbraw/zinc/21/95/91/567219591.db2.gz WPTAGHSWXOWUSS-UHFFFAOYSA-N 0 0 291.232 3.836 50 0 CHAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc2ccccc2c1 ZINC000000027926 567816382 /nfs/dbraw/zinc/81/63/82/567816382.db2.gz DBVBCJQAOPQWLE-UHFFFAOYSA-N 0 0 291.306 3.821 50 0 CHAARN COc1ccc(Cl)cc1NC(=O)c1cccs1 ZINC000000029350 567816538 /nfs/dbraw/zinc/81/65/38/567816538.db2.gz UHXWIAPTKGFVPY-UHFFFAOYSA-N 0 0 267.737 3.662 50 0 CHAARN CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000000029638 567816555 /nfs/dbraw/zinc/81/65/55/567816555.db2.gz ZCXCJIRUCHHSEA-UHFFFAOYSA-N 0 0 288.734 3.551 50 0 CHAARN CN(C(=O)c1ccccc1Br)c1ccccc1 ZINC000000029260 567816611 /nfs/dbraw/zinc/81/66/11/567816611.db2.gz KPWBSOREDPETKJ-UHFFFAOYSA-N 0 0 290.160 3.726 50 0 CHAARN O=C(Nc1ccc(Cl)cn1)c1cc2ccccc2o1 ZINC000000036086 567816649 /nfs/dbraw/zinc/81/66/49/567816649.db2.gz HOLGMGFRFOWLGQ-UHFFFAOYSA-N 0 0 272.691 3.734 50 0 CHAARN CCN(C(=O)[C@H](C)Oc1ccccc1)c1ccccc1 ZINC000000030910 567816670 /nfs/dbraw/zinc/81/66/70/567816670.db2.gz CDSCCBBZPYJYGE-AWEZNQCLSA-N 0 0 269.344 3.507 50 0 CHAARN Cc1cc(C)nc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000000030956 567816721 /nfs/dbraw/zinc/81/67/21/567816721.db2.gz KTABDGJWRGYSDS-UHFFFAOYSA-N 0 0 296.157 3.653 50 0 CHAARN Cc1ccc(NC(=O)COc2ccccc2C)cc1C ZINC000000038412 567816764 /nfs/dbraw/zinc/81/67/64/567816764.db2.gz UNXQDSLTMFYVRQ-UHFFFAOYSA-N 0 0 269.344 3.629 50 0 CHAARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000000030913 567816774 /nfs/dbraw/zinc/81/67/74/567816774.db2.gz ZPJILLLPBCBIKC-JTQLQIEISA-N 0 0 293.725 3.885 50 0 CHAARN CCOC(=O)[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000000054164 567817154 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/nfs/dbraw/zinc/92/86/62/567928662.db2.gz YSGIRGKNISOEQD-CQSZACIVSA-N 0 0 285.347 3.524 50 0 CHAARN O=C(Nc1ccccn1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011915702 567928751 /nfs/dbraw/zinc/92/87/51/567928751.db2.gz KKHZDGRTVKXSLI-UHFFFAOYSA-N 0 0 299.717 3.642 50 0 CHAARN O=C(CCc1ccc(Cl)cc1)NC1CCCCC1 ZINC000011990537 567928882 /nfs/dbraw/zinc/92/88/82/567928882.db2.gz SQIMJZDEMKBTDS-UHFFFAOYSA-N 0 0 265.784 3.722 50 0 CHAARN Cc1ccc2ncccc2c1-c1cc(C2CC2)ncn1 ZINC000426486553 567929060 /nfs/dbraw/zinc/92/90/60/567929060.db2.gz ZDRQKMDPDAMUDR-UHFFFAOYSA-N 0 0 261.328 3.878 50 0 CHAARN CSc1nc(C)cc(NCc2ccc(Cl)cc2)n1 ZINC000012016428 567929073 /nfs/dbraw/zinc/92/90/73/567929073.db2.gz XQFGDXQKKWPKPE-UHFFFAOYSA-N 0 0 279.796 3.772 50 0 CHAARN Cc1cc(C)cc(C(=O)N(Cc2ccncc2)C2CC2)c1 ZINC000050822032 567929348 /nfs/dbraw/zinc/92/93/48/567929348.db2.gz QRTXNSHCZUJSTK-UHFFFAOYSA-N 0 0 280.371 3.503 50 0 CHAARN Cc1ccc(-c2nnnn2-c2cc(Cl)ccc2C)cc1 ZINC000000411267 567930062 /nfs/dbraw/zinc/93/00/62/567930062.db2.gz GGAJEVGVXIWOGT-UHFFFAOYSA-N 0 0 284.750 3.600 50 0 CHAARN CC(=O)N1N=C(c2ccc(Cl)cc2)OC12CCCCC2 ZINC000000209007 567930255 /nfs/dbraw/zinc/93/02/55/567930255.db2.gz WEVPOICNQAAOHV-UHFFFAOYSA-N 0 0 292.766 3.541 50 0 CHAARN Cc1ccc(S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000032149231 567930738 /nfs/dbraw/zinc/93/07/38/567930738.db2.gz UOUHDIZYOCFQKG-UHFFFAOYSA-N 0 0 282.364 3.981 50 0 in-vivo CHAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C ZINC000000451847 567931036 /nfs/dbraw/zinc/93/10/36/567931036.db2.gz KZTSEDQDZCERJZ-MRVPVSSYSA-N 0 0 290.190 3.675 50 0 CHAARN CN(C(=O)N[C@@H](c1cc(F)ccc1F)C1CC1)C1CCC1 ZINC000074893384 567931266 /nfs/dbraw/zinc/93/12/66/567931266.db2.gz YOSNGDXJSNLHEL-OAHLLOKOSA-N 0 0 294.345 3.610 50 0 CHAARN Brc1ccc2[nH]cc(C[NH+]3CCCC3)c2c1 ZINC000145064428 567931417 /nfs/dbraw/zinc/93/14/17/567931417.db2.gz DBKPHCKBFAHMNT-UHFFFAOYSA-N 0 0 279.181 3.526 50 0 CHAARN Cc1c2cc(Cl)ccc2sc1-c1cc(N)n(C)n1 ZINC000000172387 567931782 /nfs/dbraw/zinc/93/17/82/567931782.db2.gz FEDHLTNNVZWXRD-UHFFFAOYSA-N 0 0 277.780 3.846 50 0 CHAARN CCCCOc1cc(C)nc(NCc2ccccc2)n1 ZINC000002312274 567931792 /nfs/dbraw/zinc/93/17/92/567931792.db2.gz LHIDFIJRJVRMKH-UHFFFAOYSA-N 0 0 271.364 3.576 50 0 CHAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000003581417 567932342 /nfs/dbraw/zinc/93/23/42/567932342.db2.gz TZESTLPXGKEQDO-UHFFFAOYSA-N 0 0 289.400 3.721 50 0 CHAARN CC[C@H](C)c1cc(C(=O)N2CCC[C@H]2C2CCCC2)on1 ZINC000152025166 567932380 /nfs/dbraw/zinc/93/23/80/567932380.db2.gz JTDCSXKRLMFPCK-WFASDCNBSA-N 0 0 290.407 3.983 50 0 CHAARN O[C@H](c1cccs1)c1ccc(Br)cc1 ZINC000034456922 567932677 /nfs/dbraw/zinc/93/26/77/567932677.db2.gz UFRLLNUJMHVVMO-NSHDSACASA-N 0 0 269.163 3.592 50 0 CHAARN COc1cc2c(cc1OC)C(c1ccccc1)=NC(C)(C)C2 ZINC000000194308 567933111 /nfs/dbraw/zinc/93/31/11/567933111.db2.gz QUMZJYWZNLLZMT-UHFFFAOYSA-N 0 0 295.382 3.876 50 0 biogenic CHAARN O=C(/C=C/c1ccccc1)OC/C=C\c1ccccc1 ZINC000017303481 567934968 /nfs/dbraw/zinc/93/49/68/567934968.db2.gz NQBWNECTZUOWID-ZFVREGAWSA-N 0 0 264.324 3.956 50 0 CHAARN Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1C ZINC000000042697 567935628 /nfs/dbraw/zinc/93/56/28/567935628.db2.gz NMBOKVWONIVQJQ-UHFFFAOYSA-N 0 0 289.762 3.974 50 0 CHAARN O=C(OC1CCCCC1)c1ccc(Br)cc1 ZINC000000362889 567935892 /nfs/dbraw/zinc/93/58/92/567935892.db2.gz XCSPVCCMBFLCQT-UHFFFAOYSA-N 0 0 283.165 3.939 50 0 CHAARN COc1cccc(CNc2ccc3c(c2)CCC3)c1OC ZINC000000279782 567935984 /nfs/dbraw/zinc/93/59/84/567935984.db2.gz XZKFSSSGCQTOFY-UHFFFAOYSA-N 0 0 283.371 3.805 50 0 CHAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2)c(C)c1 ZINC000000364836 567935988 /nfs/dbraw/zinc/93/59/88/567935988.db2.gz VAYGVZMHMPXTDG-CQSZACIVSA-N 0 0 269.344 3.709 50 0 CHAARN Cc1ccc([C@H](C)NC(=O)c2ccccc2)c(C)c1 ZINC000000295685 567936011 /nfs/dbraw/zinc/93/60/11/567936011.db2.gz DNHLRBVNDMUTCU-AWEZNQCLSA-N 0 0 253.345 3.794 50 0 CHAARN CCc1ccc(NCc2ccc(OC)c(OC)c2)cc1 ZINC000000396334 567936213 /nfs/dbraw/zinc/93/62/13/567936213.db2.gz KGKBDRWZJSBZMA-UHFFFAOYSA-N 0 0 271.360 3.878 50 0 CHAARN Cc1cc2ncn(CCOc3ccccc3)c2cc1C ZINC000000572575 567936634 /nfs/dbraw/zinc/93/66/34/567936634.db2.gz YGWKWAAOMKWUQY-UHFFFAOYSA-N 0 0 266.344 3.732 50 0 CHAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccco1 ZINC000001053615 567937036 /nfs/dbraw/zinc/93/70/36/567937036.db2.gz RTXHFEJARSPQTM-UHFFFAOYSA-N 0 0 273.332 3.838 50 0 CHAARN CN(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000001184289 567937103 /nfs/dbraw/zinc/93/71/03/567937103.db2.gz RHOLMNVXOKOBLR-UHFFFAOYSA-N 0 0 273.763 3.541 50 0 CHAARN CCCCNC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000003995892 567938069 /nfs/dbraw/zinc/93/80/69/567938069.db2.gz SIQBZSYIWWBCEK-JISDDCRVSA-N 0 0 278.440 3.691 50 0 CHAARN Cc1csc(SCc2nnc(C3CC3)n2C2CC2)n1 ZINC000181013668 567938100 /nfs/dbraw/zinc/93/81/00/567938100.db2.gz HTISCTKUONZYNQ-UHFFFAOYSA-N 0 0 292.433 3.548 50 0 CHAARN CC[C@H](C(=O)Nc1cccc([C@H](C)O)c1)c1ccccc1 ZINC000004666601 567938408 /nfs/dbraw/zinc/93/84/08/567938408.db2.gz JANQIHLDHGTDLA-GUYCJALGSA-N 0 0 283.371 3.872 50 0 CHAARN O=C(NCc1cncc(-c2ccsc2)c1)[C@H]1CC=CCC1 ZINC000206944723 567938724 /nfs/dbraw/zinc/93/87/24/567938724.db2.gz QLNSHWOLXGPQAI-AWEZNQCLSA-N 0 0 298.411 3.783 50 0 CHAARN Cc1occc1[S@](=O)Cc1ncc(-c2cccs2)o1 ZINC000189627925 567938871 /nfs/dbraw/zinc/93/88/71/567938871.db2.gz NUORPWFYHJJRBJ-LJQANCHMSA-N 0 0 293.369 3.612 50 0 CHAARN Cc1cc(C)c(NC(=O)COc2ccccc2)c(C)c1 ZINC000000485259 567939135 /nfs/dbraw/zinc/93/91/35/567939135.db2.gz BMEYGXOBJLCHSX-UHFFFAOYSA-N 0 0 269.344 3.629 50 0 CHAARN Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H](c1ccco1)N2 ZINC000169620118 567939552 /nfs/dbraw/zinc/93/95/52/567939552.db2.gz JRMFPRLCQZRNAX-XFBWCDHKSA-N 0 0 255.317 3.832 50 0 biogenic CHAARN COc1ccc([C@@H](O)c2coc3ccc(OC)cc32)cc1 ZINC000000489860 567939642 /nfs/dbraw/zinc/93/96/42/567939642.db2.gz WVKKPNQRAKDHIU-QGZVFWFLSA-N 0 0 284.311 3.532 50 0 biogenic CHAARN C/N=c1/oc2ccccc2cc1-c1nc2ccccc2[nH]1 ZINC000000492876 567939889 /nfs/dbraw/zinc/93/98/89/567939889.db2.gz JIZCGGUEDVXMMA-ISLYRVAYSA-N 0 0 275.311 3.507 50 0 CHAARN C[C@]12CC3CC(C(=O)N4CCCCC4)(C1)C[C@@](C)(C3)C2 ZINC000012414273 567940221 /nfs/dbraw/zinc/94/02/21/567940221.db2.gz CQJQZZVKELIUGA-JGAFYBCUSA-N 0 0 275.436 3.996 50 0 CHAARN Cc1cccc(NC(=O)Nc2ccc(F)cc2F)c1 ZINC000018176745 567940353 /nfs/dbraw/zinc/94/03/53/567940353.db2.gz CMBMWUDHUSADQG-UHFFFAOYSA-N 0 0 262.259 3.917 50 0 CHAARN O=C(NCc1ccc(OC(F)F)cc1)Nc1ccccc1 ZINC000018181100 567940535 /nfs/dbraw/zinc/94/05/35/567940535.db2.gz WHWDVTFYJFXZOB-UHFFFAOYSA-N 0 0 292.285 3.610 50 0 CHAARN CC1[C@@H](C(=O)c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000000501090 567940692 /nfs/dbraw/zinc/94/06/92/567940692.db2.gz GQQMNGZUUPRBMD-HZPDHXFCSA-N 0 0 264.324 3.634 50 0 CHAARN O=C(NCc1ccc(F)cc1)c1cc2ccccc2cc1O ZINC000012796060 567940728 /nfs/dbraw/zinc/94/07/28/567940728.db2.gz IQZDOPBBFWDKJG-UHFFFAOYSA-N 0 0 295.313 3.615 50 0 CHAARN CC(=O)OC[C@]12COC[C@H](C3=CCCC(C)(C)[C@H]3C1)[C@H]2C ZINC000000517228 567941762 /nfs/dbraw/zinc/94/17/62/567941762.db2.gz AOWHBUFUMSNEAB-BLBBIFAFSA-N 0 0 292.419 3.585 50 0 biogenic CHAARN Cc1noc2c1[C@H](c1ccc(O)cc1)C1=C(CCCC1=O)N2 ZINC000102731251 567941931 /nfs/dbraw/zinc/94/19/31/567941931.db2.gz ZNPTUWNPMMNZFD-HNNXBMFYSA-N 0 0 296.326 3.903 50 0 CHAARN CC1=C[C@@H](C)C2(COC(c3ccco3)OC2)[C@H](C)C1 ZINC000000517868 567941946 /nfs/dbraw/zinc/94/19/46/567941946.db2.gz HDOZYLVTCNXYDZ-KCNJBTMXSA-N 0 0 262.349 3.934 50 0 biogenic CHAARN Cc1nc(C2=C(N)N(c3ccccc3)CC2=O)sc1C ZINC000102733528 567941947 /nfs/dbraw/zinc/94/19/47/567941947.db2.gz YGWOKEBZUOTTBY-UHFFFAOYSA-N 0 0 285.372 3.527 50 0 CHAARN Cc1ccnc(SCc2ccc(Br)cc2)n1 ZINC000013881131 567942075 /nfs/dbraw/zinc/94/20/75/567942075.db2.gz NCPXDRNGGQXZQA-UHFFFAOYSA-N 0 0 295.205 3.840 50 0 CHAARN CC(C)[C@H](CCN1C(=O)c2ccccc2C1=O)c1ccco1 ZINC000000532177 567942528 /nfs/dbraw/zinc/94/25/28/567942528.db2.gz QPVNLIQYNOWGTK-ZDUSSCGKSA-N 0 0 297.354 3.706 50 0 CHAARN CC(C)CCNc1ncnc2c3ccccc3[nH]c21 ZINC000000541965 567942728 /nfs/dbraw/zinc/94/27/28/567942728.db2.gz HOQXCWTUJBEZNQ-UHFFFAOYSA-N 0 0 254.337 3.569 50 0 CHAARN Cc1cnccc1NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000120508334 567942751 /nfs/dbraw/zinc/94/27/51/567942751.db2.gz QTGRWTKZRXHEST-IUODEOHRSA-N 0 0 299.374 3.988 50 0 CHAARN Cc1ccccc1C(=O)NC(C)(C)c1nc2ccccc2[nH]1 ZINC000000551182 567943123 /nfs/dbraw/zinc/94/31/23/567943123.db2.gz BNGMBDYJPZKOKF-UHFFFAOYSA-N 0 0 293.370 3.536 50 0 CHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CC(C)C ZINC000000546526 567943125 /nfs/dbraw/zinc/94/31/25/567943125.db2.gz JLQUQXBXDGCFKR-UHFFFAOYSA-N 0 0 283.393 3.526 50 0 CHAARN Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccco1 ZINC000000570259 567943481 /nfs/dbraw/zinc/94/34/81/567943481.db2.gz AJYOMAAESGKOPW-VOTSOKGWSA-N 0 0 261.708 3.893 50 0 CHAARN Cc1cc(OC(=O)Cc2ccccc2)ccc1Cl ZINC000000572777 567943644 /nfs/dbraw/zinc/94/36/44/567943644.db2.gz NORDSLORQVYCBO-UHFFFAOYSA-N 0 0 260.720 3.797 50 0 CHAARN CC(=O)Nc1cccc(Oc2ccc(C(F)(F)F)cn2)c1 ZINC000005726291 567943796 /nfs/dbraw/zinc/94/37/96/567943796.db2.gz HSEJUIVMNPCRSR-UHFFFAOYSA-N 0 0 296.248 3.851 50 0 CHAARN Cc1ccc2cccc(NC(=O)c3ccc(F)cc3)c2n1 ZINC000015835223 567943944 /nfs/dbraw/zinc/94/39/44/567943944.db2.gz MHMHKBUXDFCRQA-UHFFFAOYSA-N 0 0 280.302 3.935 50 0 CHAARN Cc1ncsc1C(=O)N1CCC=Cc2ccccc21 ZINC000190126851 567944022 /nfs/dbraw/zinc/94/40/22/567944022.db2.gz VQYANSMZOMNFKL-UHFFFAOYSA-N 0 0 270.357 3.515 50 0 CHAARN C[C@H]1CCCN(C(=O)c2cc(Cl)nc3ccccc32)C1 ZINC000016642022 567944535 /nfs/dbraw/zinc/94/45/35/567944535.db2.gz ZQNJUFVNBYBWIU-NSHDSACASA-N 0 0 288.778 3.760 50 0 CHAARN Brc1ccc(CN2CCc3ccccc3C2)o1 ZINC000019537662 567944747 /nfs/dbraw/zinc/94/47/47/567944747.db2.gz MHEBBNFSBVQQAE-UHFFFAOYSA-N 0 0 292.176 3.600 50 0 CHAARN c1ccc(COc2ccc(CCC3OCCO3)cc2)cc1 ZINC000004375886 567944760 /nfs/dbraw/zinc/94/47/60/567944760.db2.gz STGUTQYRXWNJPC-UHFFFAOYSA-N 0 0 284.355 3.571 50 0 CHAARN COc1cccc2cc([C@@H](C)NCc3ccco3)oc21 ZINC000020084150 567945339 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570325142 /nfs/dbraw/zinc/32/51/42/570325142.db2.gz SFWKQDYWLXPZJR-AATRIKPKSA-N 0 0 273.313 3.630 50 0 CHAARN CCc1ccc(-c2cc(C(F)(F)F)n3nccc3n2)cc1 ZINC000002747749 570325180 /nfs/dbraw/zinc/32/51/80/570325180.db2.gz KDNFWPSMVHKNLL-UHFFFAOYSA-N 0 0 291.276 3.978 50 0 CHAARN C[C@@H](SC1CCCC1)C(=O)Nc1cccnc1Cl ZINC000068934937 570325973 /nfs/dbraw/zinc/32/59/73/570325973.db2.gz CVWJXNNFVRZQHD-SECBINFHSA-N 0 0 284.812 3.738 50 0 CHAARN Cc1noc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1C ZINC000005921699 570326028 /nfs/dbraw/zinc/32/60/28/570326028.db2.gz IGYDYGFPXDJMTR-UHFFFAOYSA-N 0 0 299.252 3.954 50 0 CHAARN COc1cnc(-c2cccc(C(F)(F)F)c2)nc1Cl ZINC000001384028 570332812 /nfs/dbraw/zinc/33/28/12/570332812.db2.gz XPWKWBAVPCYHES-UHFFFAOYSA-N 0 0 288.656 3.824 50 0 CHAARN CSc1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1 ZINC000012520570 570326741 /nfs/dbraw/zinc/32/67/41/570326741.db2.gz HAWIWTZNRDUAFU-UHFFFAOYSA-N 0 0 283.356 3.537 50 0 CHAARN Cc1ccccc1N=C1NN=C(c2ccco2)CS1 ZINC000012543265 570327403 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570360363 /nfs/dbraw/zinc/36/03/63/570360363.db2.gz CJKQTAMBRQNSBJ-UHFFFAOYSA-N 0 0 299.418 3.814 50 0 CHAARN Cc1oc(C2CCC2)nc1C(=O)N(C)CCc1ccccc1 ZINC000065293575 570361840 /nfs/dbraw/zinc/36/18/40/570361840.db2.gz UYPMHRDXYAUMFB-UHFFFAOYSA-N 0 0 298.386 3.565 50 0 CHAARN CC(=O)N1CCc2c(-c3ccccc3)cccc2[C@H]1C ZINC000065293140 570361914 /nfs/dbraw/zinc/36/19/14/570361914.db2.gz LSJHIRXVTXNJRC-CYBMUJFWSA-N 0 0 265.356 3.819 50 0 CHAARN COc1cccc(COC(=O)c2c[nH]c3ccccc32)c1 ZINC000037111842 570362582 /nfs/dbraw/zinc/36/25/82/570362582.db2.gz ICJCKJLBYCSVMV-UHFFFAOYSA-N 0 0 281.311 3.534 50 0 CHAARN C[C@H](Nc1cccc(-c2nccn2C)c1)C1CCC1 ZINC000170616070 570363082 /nfs/dbraw/zinc/36/30/82/570363082.db2.gz YRIUKLGQEGBNOR-LBPRGKRZSA-N 0 0 255.365 3.688 50 0 CHAARN CC(C)CC[C@H](C)NC(=O)c1ccncc1C(F)(F)F ZINC000170614560 570363114 /nfs/dbraw/zinc/36/31/14/570363114.db2.gz KQHPQNHKDIRMRS-JTQLQIEISA-N 0 0 288.313 3.655 50 0 CHAARN Cc1ccc2nc(C3CC3)cc(C(=O)N3CC(C)C3)c2c1 ZINC000170617797 570363320 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Cc1ccccc1NC1CCN(C(=O)CCC(C)C)CC1 ZINC000065611760 567012665 /nfs/dbraw/zinc/01/26/65/567012665.db2.gz YXEHAXYUPHWKAB-UHFFFAOYSA-N 0 0 288.435 3.834 50 0 CHAARN CCCNc1ccccc1NC(=O)[C@H](C)C1CCOCC1 ZINC000170611307 567013506 /nfs/dbraw/zinc/01/35/06/567013506.db2.gz BZXXTNYKIVQPAV-CYBMUJFWSA-N 0 0 290.407 3.510 50 0 CHAARN CC(C)(CNc1ccc(-n2ccnc2)nc1)c1ccccc1 ZINC000170601689 567014389 /nfs/dbraw/zinc/01/43/89/567014389.db2.gz FONICLQQBJSKGS-UHFFFAOYSA-N 0 0 292.386 3.657 50 0 CHAARN O=C(Nc1ccccn1)C1(c2cccc(Cl)c2)CCC1 ZINC000042687934 567018227 /nfs/dbraw/zinc/01/82/27/567018227.db2.gz HOPMAKYBSKRNMB-UHFFFAOYSA-N 0 0 286.762 3.795 50 0 CHAARN CNC(=O)Nc1ccccc1-c1cc2ccccc2[nH]1 ZINC000013351521 567018939 /nfs/dbraw/zinc/01/89/39/567018939.db2.gz YAFSCJTVIVUEQD-UHFFFAOYSA-N 0 0 265.316 3.586 50 0 CHAARN CC[C@@H](C)NC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000013746377 567021315 /nfs/dbraw/zinc/02/13/15/567021315.db2.gz JRHMYBCSGUILSG-OLZOCXBDSA-N 0 0 270.376 3.999 50 0 CHAARN CC[C@@H](C)NC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000013746381 567021331 /nfs/dbraw/zinc/02/13/31/567021331.db2.gz JRHMYBCSGUILSG-CHWSQXEVSA-N 0 0 270.376 3.999 50 0 CHAARN CSc1cccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000013737200 567021418 /nfs/dbraw/zinc/02/14/18/567021418.db2.gz QFVNBSDTVMZLJM-RYUDHWBXSA-N 0 0 278.421 3.918 50 0 CHAARN Fc1ccc(Br)c2[nH]c3c(c21)CCCC3 ZINC000675077185 567026016 /nfs/dbraw/zinc/02/60/16/567026016.db2.gz ZVFKHZRMJYBUFW-UHFFFAOYSA-N 0 0 268.129 3.948 50 0 CHAARN c1cn(-c2ccccc2)nc1CN[C@H]1CCc2ccccc21 ZINC000089857620 567028507 /nfs/dbraw/zinc/02/85/07/567028507.db2.gz VBHNNJLATPDLIX-IBGZPJMESA-N 0 0 289.382 3.649 50 0 CHAARN c1cc(CN[C@H]2CCCOc3c4ccccc4ccc32)n[nH]1 ZINC000084055931 567030037 /nfs/dbraw/zinc/03/00/37/567030037.db2.gz NLUGGGLDQLFEFU-KRWDZBQOSA-N 0 0 293.370 3.566 50 0 CHAARN CC[C@@](C)(NCc1ncc(C(C)C)o1)c1nc(C)cs1 ZINC000089942119 567031048 /nfs/dbraw/zinc/03/10/48/567031048.db2.gz MBOZNEPIAZNUNW-OAHLLOKOSA-N 0 0 293.436 3.978 50 0 CHAARN C[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1ccon1 ZINC000089913452 567031071 /nfs/dbraw/zinc/03/10/71/567031071.db2.gz RZVHOWUYWIELJT-NSHDSACASA-N 0 0 298.298 3.551 50 0 CHAARN O=C(c1ccoc1)N1CCC(=Cc2ccccc2)CC1 ZINC000084525640 567032397 /nfs/dbraw/zinc/03/23/97/567032397.db2.gz DPKIBGLNEDNXKM-UHFFFAOYSA-N 0 0 267.328 3.599 50 0 CHAARN Cc1ccc(NC(=O)COc2ccccc2Cl)cc1F ZINC000002871517 567037057 /nfs/dbraw/zinc/03/70/57/567037057.db2.gz VKNJNNYEHLRRTC-UHFFFAOYSA-N 0 0 293.725 3.805 50 0 CHAARN CCCCn1c2ccc(C)cc2c2nnc(SC)nc21 ZINC000003612934 567038137 /nfs/dbraw/zinc/03/81/37/567038137.db2.gz VHDSSDZNFHKAOH-UHFFFAOYSA-N 0 0 286.404 3.810 50 0 CHAARN Cc1cc2c(cc1C)[C@H](N(C(=O)C1CC1)C1CC1)CCO2 ZINC000095409003 567038729 /nfs/dbraw/zinc/03/87/29/567038729.db2.gz AFGNEBYEONUDHS-MRXNPFEDSA-N 0 0 285.387 3.528 50 0 CHAARN O=C(/C=C/c1ccco1)Nc1nc2ccccc2s1 ZINC000003559716 567044225 /nfs/dbraw/zinc/04/42/25/567044225.db2.gz HYENOZZWPYZLRI-BQYQJAHWSA-N 0 0 270.313 3.541 50 0 CHAARN C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@]2(C)O ZINC000026263768 567044285 /nfs/dbraw/zinc/04/42/85/567044285.db2.gz CCCIJQPRIXGQOE-RDGPPVDQSA-N 0 0 284.399 3.719 50 0 CHAARN CC1(CN2CCO[C@@H](c3ccccc3Cl)C2)CCC1 ZINC000252482297 567057621 /nfs/dbraw/zinc/05/76/21/567057621.db2.gz DCOHQEPFPNTPEY-OAHLLOKOSA-N 0 0 279.811 3.904 50 0 CHAARN COc1cccc2c(N[C@H](C)c3nccs3)ccnc12 ZINC000193482770 567060693 /nfs/dbraw/zinc/06/06/93/567060693.db2.gz BHWFOVYYYKEDNP-SNVBAGLBSA-N 0 0 285.372 3.873 50 0 CHAARN CCC1CCC(NC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000170646718 567062169 /nfs/dbraw/zinc/06/21/69/567062169.db2.gz UUZLPBRXBPIBDW-HESLUPGFSA-N 0 0 266.429 3.643 50 0 CHAARN C[C@@H]1CCC[C@H]1Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000195561882 567070134 /nfs/dbraw/zinc/07/01/34/567070134.db2.gz UEOISBBFTDMTSI-MAZCYNQFSA-N 0 0 285.840 3.819 50 0 CHAARN Cc1ccsc1CN(C)C(=O)c1cccc2[nH]ccc21 ZINC000037841185 567074257 /nfs/dbraw/zinc/07/42/57/567074257.db2.gz RZINTJLLYAYYTQ-UHFFFAOYSA-N 0 0 284.384 3.810 50 0 CHAARN CCOC(=O)c1ccc(OC(=O)Nc2ccc(C)cc2)cc1 ZINC000019864823 567087093 /nfs/dbraw/zinc/08/70/93/567087093.db2.gz AGTGHTUATOBGTR-UHFFFAOYSA-N 0 0 299.326 3.783 50 0 CHAARN C[C@H](NC(=O)c1cncs1)c1ccc2c(c1)CCCC2 ZINC000009256086 567087167 /nfs/dbraw/zinc/08/71/67/567087167.db2.gz DXPXRKJTUBPCLQ-NSHDSACASA-N 0 0 286.400 3.513 50 0 CHAARN CC(C)COc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC000036428690 567088279 /nfs/dbraw/zinc/08/82/79/567088279.db2.gz BWKASKMMNDJCLA-UHFFFAOYSA-N 0 0 264.108 3.936 50 0 CHAARN Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1CO ZINC000116987948 567093378 /nfs/dbraw/zinc/09/33/78/567093378.db2.gz NTYIHZVOJSMHHA-UHFFFAOYSA-N 0 0 256.223 3.766 50 0 CHAARN CC(C)CC[C@@H](C)NC(=O)Nc1nc(C(F)(F)F)co1 ZINC000253424791 567098298 /nfs/dbraw/zinc/09/82/98/567098298.db2.gz KUOIOTUQUJENEU-MRVPVSSYSA-N 0 0 293.289 3.640 50 0 CHAARN CC(C)CCNC(=O)CCCc1c[nH]c2ccccc12 ZINC000012896186 567116475 /nfs/dbraw/zinc/11/64/75/567116475.db2.gz PTRDJKOEDRNROD-UHFFFAOYSA-N 0 0 272.392 3.653 50 0 biogenic CHAARN COc1cc(CCO)ccc1NCc1ccc(C(C)C)cc1 ZINC000328593552 567118161 /nfs/dbraw/zinc/11/81/61/567118161.db2.gz IGEHMBJFKXMSIO-UHFFFAOYSA-N 0 0 299.414 3.966 50 0 CHAARN C[C@H]1C(=O)[C@@H](C)[C@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000093725430 567122169 /nfs/dbraw/zinc/12/21/69/567122169.db2.gz KRIROHZWSALYAG-LTCOOKNTSA-N 0 0 279.383 3.914 50 0 CHAARN CC(C)[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2C1CCCC1 ZINC000079494651 567123547 /nfs/dbraw/zinc/12/35/47/567123547.db2.gz SVROANMTKHMAIA-GFCCVEGCSA-N 0 0 295.408 3.736 50 0 CHAARN O=C(NCCCc1cc2ccccc2o1)c1ccsc1 ZINC000390831775 567125387 /nfs/dbraw/zinc/12/53/87/567125387.db2.gz UUYNBGVRCLAPPK-UHFFFAOYSA-N 0 0 285.368 3.857 50 0 CHAARN O=C(/C=C/c1ccoc1)NC1(c2cccs2)CCCC1 ZINC000390828307 567126230 /nfs/dbraw/zinc/12/62/30/567126230.db2.gz QBDSDNWPGUQTBA-AATRIKPKSA-N 0 0 287.384 3.940 50 0 CHAARN CC(C)(C)[C@H](NC(=O)CCC(F)(F)F)c1ccco1 ZINC000095403569 567128505 /nfs/dbraw/zinc/12/85/05/567128505.db2.gz YMGOPGYYHMCIGM-LLVKDONJSA-N 0 0 277.286 3.826 50 0 CHAARN CC(C)SCc1cccc(NCc2nccn2C)c1 ZINC000095429269 567131671 /nfs/dbraw/zinc/13/16/71/567131671.db2.gz MIHUQRYSULDJEK-UHFFFAOYSA-N 0 0 275.421 3.674 50 0 CHAARN O=C(C1=COCCC1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000095444941 567133142 /nfs/dbraw/zinc/13/31/42/567133142.db2.gz BGRINNNIYRLNRC-GOSISDBHSA-N 0 0 299.414 3.695 50 0 CHAARN O=C(Nc1nccs1)N1CCCC[C@@H]2CCCC[C@@H]21 ZINC000095457604 567134470 /nfs/dbraw/zinc/13/44/70/567134470.db2.gz VQOQDXCGJZKHTC-RYUDHWBXSA-N 0 0 279.409 3.720 50 0 CHAARN CCCc1nc(CN(Cc2cccnc2)C2CC2)cs1 ZINC000095446654 567134545 /nfs/dbraw/zinc/13/45/45/567134545.db2.gz GVPYCSZABYHIQQ-UHFFFAOYSA-N 0 0 287.432 3.655 50 0 CHAARN CCC[C@]1(CC(=O)Nc2nccs2)CCOC(C)(C)C1 ZINC000095475217 567135783 /nfs/dbraw/zinc/13/57/83/567135783.db2.gz CCYOAUYQPXKVLL-OAHLLOKOSA-N 0 0 296.436 3.847 50 0 CHAARN CCCCc1nc(C)sc1C(=O)Nc1ccccc1O ZINC000095472432 567136628 /nfs/dbraw/zinc/13/66/28/567136628.db2.gz ZPMGCVDEJDKXJR-UHFFFAOYSA-N 0 0 290.388 3.752 50 0 CHAARN Cc1ccc(OCCCC(=O)N2CCC=C(F)C2)cc1C ZINC000095464786 567136919 /nfs/dbraw/zinc/13/69/19/567136919.db2.gz FBPDDRZJYGTMDL-UHFFFAOYSA-N 0 0 291.366 3.548 50 0 CHAARN CC(C)c1sc(Cl)nc1C(=O)Nc1ccccn1 ZINC000095476039 567136924 /nfs/dbraw/zinc/13/69/24/567136924.db2.gz ZOLDGOIPJCCOIO-UHFFFAOYSA-N 0 0 281.768 3.567 50 0 CHAARN CCC1(NC(=O)Nc2ccc3oc(C)nc3c2)CCC1 ZINC000158833773 567138353 /nfs/dbraw/zinc/13/83/53/567138353.db2.gz JSXRNGHTLOSKCC-UHFFFAOYSA-N 0 0 273.336 3.590 50 0 CHAARN O=C(c1ccc(Oc2ccccc2Cl)o1)N1CCCC1 ZINC000096183886 567138748 /nfs/dbraw/zinc/13/87/48/567138748.db2.gz GTFMSLVNRRRJMR-UHFFFAOYSA-N 0 0 291.734 3.961 50 0 CHAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1sccc1Cl ZINC000261581136 567140325 /nfs/dbraw/zinc/14/03/25/567140325.db2.gz FUVLZEADDSAMAK-WCQGTBRESA-N 0 0 299.823 3.619 50 0 CHAARN CCCN1C(=O)c2ccccc2N[C@@H]1/C=C\c1ccco1 ZINC000096310889 567140515 /nfs/dbraw/zinc/14/05/15/567140515.db2.gz RKMNNQYQORMOGY-YDZSZYSISA-N 0 0 282.343 3.597 50 0 CHAARN O=C(N[C@@H]1CCCc2c3ccccc3[nH]c21)c1ccco1 ZINC000096232785 567141356 /nfs/dbraw/zinc/14/13/56/567141356.db2.gz SZSHEMZQNNVRHN-CQSZACIVSA-N 0 0 280.327 3.568 50 0 CHAARN CNC(=O)c1cnc(/C=C\c2ccc(C(C)C)cc2)s1 ZINC000096315685 567141382 /nfs/dbraw/zinc/14/13/82/567141382.db2.gz MLLWVVSLLGKEFU-TWGQIWQCSA-N 0 0 286.400 3.797 50 0 CHAARN C[C@@H](c1cccs1)N(C)C(=O)/C=C\c1ccco1 ZINC000096305214 567141441 /nfs/dbraw/zinc/14/14/41/567141441.db2.gz KWIPIHXAILEAIW-TVRMLOFPSA-N 0 0 261.346 3.574 50 0 CHAARN C[C@@H](N[C@@H](C)c1ccncc1)c1nc2ccccc2o1 ZINC000097084001 567143320 /nfs/dbraw/zinc/14/33/20/567143320.db2.gz OSYBLPZJSQETPO-NWDGAFQWSA-N 0 0 267.332 3.635 50 0 CHAARN Cc1cncc(N[C@H](C)CC(=O)Nc2ccccc2C)c1 ZINC000097038328 567143396 /nfs/dbraw/zinc/14/33/96/567143396.db2.gz HXKJAGBHCKPJBB-CQSZACIVSA-N 0 0 283.375 3.528 50 0 CHAARN Cc1noc(-c2ccccc2)c1NC(=O)c1ccsc1 ZINC000097115131 567143406 /nfs/dbraw/zinc/14/34/06/567143406.db2.gz FXHKZWUMZCDJCT-UHFFFAOYSA-N 0 0 284.340 3.964 50 0 CHAARN CC(=O)Nc1cccc([C@@H](C)Nc2ccc3c(c2)COC3)c1 ZINC000097038474 567143667 /nfs/dbraw/zinc/14/36/67/567143667.db2.gz QSPXGULEAYNAKM-GFCCVEGCSA-N 0 0 296.370 3.848 50 0 CHAARN CCCCC[C@H](C)NC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000055544630 567145789 /nfs/dbraw/zinc/14/57/89/567145789.db2.gz KNPHRJNMNATWDE-GXSJLCMTSA-N 0 0 266.212 3.655 50 0 CHAARN O=[S@](CC[C@@H]1CCCCO1)Cc1ccccc1Cl ZINC000225621480 567146611 /nfs/dbraw/zinc/14/66/11/567146611.db2.gz GHJIAMZEDRPQBR-SCLBCKFNSA-N 0 0 286.824 3.548 50 0 CHAARN CCCCC[C@H](C)NC(=O)[C@]1(C)CC1(Cl)Cl ZINC000055544628 567146891 /nfs/dbraw/zinc/14/68/91/567146891.db2.gz KNPHRJNMNATWDE-ONGXEEELSA-N 0 0 266.212 3.655 50 0 CHAARN CCc1ccc(C(=O)CCNc2ccc(OC)cc2)cc1 ZINC000002531720 567148928 /nfs/dbraw/zinc/14/89/28/567148928.db2.gz KCQBIHGUYHHMGH-UHFFFAOYSA-N 0 0 283.371 3.943 50 0 CHAARN O=C(NCc1ccnc(-c2ccsc2)c1)C1CCCC1 ZINC000225756119 567149347 /nfs/dbraw/zinc/14/93/47/567149347.db2.gz QAPIOUOIHKVNJA-UHFFFAOYSA-N 0 0 286.400 3.617 50 0 CHAARN CC(C)(C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000002650790 567151224 /nfs/dbraw/zinc/15/12/24/567151224.db2.gz VKAFLXAFYZGLHX-UHFFFAOYSA-N 0 0 254.333 3.631 50 0 CHAARN Cc1ccc(SCN2C(=O)c3ccccc3C2=O)c(C)c1 ZINC000002651148 567151268 /nfs/dbraw/zinc/15/12/68/567151268.db2.gz JBFNKMRCLKNYPN-UHFFFAOYSA-N 0 0 297.379 3.649 50 0 CHAARN Cc1cc2nc(-c3ccc(F)cc3)cc(C(F)F)n2n1 ZINC000002783934 567152075 /nfs/dbraw/zinc/15/20/75/567152075.db2.gz XWJIRGSKDMNLNY-UHFFFAOYSA-N 0 0 277.249 3.781 50 0 CHAARN CCCN(CCC)C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002750238 567152178 /nfs/dbraw/zinc/15/21/78/567152178.db2.gz HMOQDZKDPBDDBT-UHFFFAOYSA-N 0 0 295.251 3.644 50 0 CHAARN c1ccc([C@@H]2C[C@@H]2c2nc3c4ccccc4ncn3n2)cc1 ZINC000002806339 567152368 /nfs/dbraw/zinc/15/23/68/567152368.db2.gz QXEYATMVHAUKCN-GJZGRUSLSA-N 0 0 286.338 3.549 50 0 CHAARN CCN(CC)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000056731878 567153183 /nfs/dbraw/zinc/15/31/83/567153183.db2.gz YNSUVHFGZLJFCK-UHFFFAOYSA-N 0 0 287.363 3.832 50 0 CHAARN CCc1ccc(-c2cc(C(F)F)n3nccc3n2)cc1 ZINC000002747960 567153507 /nfs/dbraw/zinc/15/35/07/567153507.db2.gz UTKBHASIRAUAJJ-UHFFFAOYSA-N 0 0 273.286 3.896 50 0 CHAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C1CCCC1 ZINC000057525450 567158210 /nfs/dbraw/zinc/15/82/10/567158210.db2.gz SZDPQWSUTLZPTQ-UHFFFAOYSA-N 0 0 297.402 3.926 50 0 CHAARN O=C(Nc1ccc(Cl)c2cccnc12)c1ccncc1 ZINC000057553842 567159757 /nfs/dbraw/zinc/15/97/57/567159757.db2.gz PVXXCPOYRSZCDC-UHFFFAOYSA-N 0 0 283.718 3.536 50 0 CHAARN CNc1cc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC000003141473 567161121 /nfs/dbraw/zinc/16/11/21/567161121.db2.gz MRCDLNBTHBLDBX-UHFFFAOYSA-N 0 0 261.328 3.852 50 0 CHAARN CSCCC(=O)Nc1cccc(OC2CCCC2)c1 ZINC000031207121 567179018 /nfs/dbraw/zinc/17/90/18/567179018.db2.gz ARKKJMXGBCWWAO-UHFFFAOYSA-N 0 0 279.405 3.700 50 0 CHAARN COc1ccccc1C(=O)CSc1nc2ccccc2o1 ZINC000003266395 567165143 /nfs/dbraw/zinc/16/51/43/567165143.db2.gz JWPRIUITYWVAMI-UHFFFAOYSA-N 0 0 299.351 3.811 50 0 CHAARN Cc1cc(C)n(-c2ccc(C(=O)NC3CCCCC3)cc2)n1 ZINC000003236225 567166039 /nfs/dbraw/zinc/16/60/39/567166039.db2.gz QSTHNBBMXQQWHW-UHFFFAOYSA-N 0 0 297.402 3.552 50 0 CHAARN COc1cc(OC)cc(C(=O)Oc2ccccc2Cl)c1 ZINC000003248132 567166085 /nfs/dbraw/zinc/16/60/85/567166085.db2.gz GGFONQWNRDQVIM-UHFFFAOYSA-N 0 0 292.718 3.576 50 0 CHAARN CCSc1nnc(-c2cccnc2)n1-c1ccccc1C ZINC000003310275 567168445 /nfs/dbraw/zinc/16/84/45/567168445.db2.gz BMHCBYWQVXOERI-UHFFFAOYSA-N 0 0 296.399 3.750 50 0 CHAARN CC(C)CCN(CCC(C)C)C(=O)COc1ccccc1 ZINC000003303319 567168907 /nfs/dbraw/zinc/16/89/07/567168907.db2.gz IUGHFGAVOZWKOG-UHFFFAOYSA-N 0 0 291.435 3.986 50 0 CHAARN Cc1ccc(F)cc1NC(=S)NCc1ccccc1 ZINC000003330102 567170388 /nfs/dbraw/zinc/17/03/88/567170388.db2.gz LUNXLDBGDGXQCA-UHFFFAOYSA-N 0 0 274.364 3.621 50 0 CHAARN Cc1ccc(NC(=O)CNc2ccc(Cl)cc2F)cc1 ZINC000003398435 567172631 /nfs/dbraw/zinc/17/26/31/567172631.db2.gz WINJQDKYWFYPSX-UHFFFAOYSA-N 0 0 292.741 3.838 50 0 CHAARN Cc1cccc(NC(=O)COc2ccc3c(c2)CCC3)c1C ZINC000003494327 567176943 /nfs/dbraw/zinc/17/69/43/567176943.db2.gz TVBYTESOWQBVBR-UHFFFAOYSA-N 0 0 295.382 3.810 50 0 CHAARN O=C(/C=C/c1ccccc1Cl)Nc1ccn2nccc2c1 ZINC000217951878 567180391 /nfs/dbraw/zinc/18/03/91/567180391.db2.gz KAHISWXPYRAMNQ-AATRIKPKSA-N 0 0 297.745 3.640 50 0 CHAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(F)(F)F ZINC000015777099 567180572 /nfs/dbraw/zinc/18/05/72/567180572.db2.gz ATXCXBAHNZQECW-BBBLOLIVSA-N 0 0 252.276 3.553 50 0 CHAARN Cc1ccc(NC(=O)CCOCC(C)C)c2cccnc12 ZINC000031752689 567181200 /nfs/dbraw/zinc/18/12/00/567181200.db2.gz XPNRCSPEIASWFP-UHFFFAOYSA-N 0 0 286.375 3.544 50 0 CHAARN Clc1ccc(-c2n[nH]c3c2CCC3)cc1Cl ZINC000004002572 567182191 /nfs/dbraw/zinc/18/21/91/567182191.db2.gz PBRQAUPRVREONC-UHFFFAOYSA-N 0 0 253.132 3.872 50 0 CHAARN Fc1ccc([C@H]2NN=C(Cc3ccccc3)S2)cc1 ZINC000004018005 567183902 /nfs/dbraw/zinc/18/39/02/567183902.db2.gz UAXNECQCZABDEG-HNNXBMFYSA-N 0 0 272.348 3.717 50 0 CHAARN CSc1nc2c(c(C)n1)CCN2c1cccc(C)c1 ZINC000004052026 567185782 /nfs/dbraw/zinc/18/57/82/567185782.db2.gz JWVIJFGABQNYIO-UHFFFAOYSA-N 0 0 271.389 3.510 50 0 CHAARN CN(C(=O)c1ccc2ncsc2c1)c1ccccc1 ZINC000004088457 567186824 /nfs/dbraw/zinc/18/68/24/567186824.db2.gz QTXMALFIUSNGHB-UHFFFAOYSA-N 0 0 268.341 3.573 50 0 CHAARN c1csc([C@H]2NN=C3c4ccccc4CSC[C@@H]32)c1 ZINC000004085345 567186961 /nfs/dbraw/zinc/18/69/61/567186961.db2.gz IMAXBRYGRNQHGC-WFASDCNBSA-N 0 0 286.425 3.660 50 0 CHAARN CCOc1ccc(NCc2ccc(O)c3ncccc23)cc1 ZINC000004190086 567189039 /nfs/dbraw/zinc/18/90/39/567189039.db2.gz XIXMMIAXZQPUCX-UHFFFAOYSA-N 0 0 294.354 3.951 50 0 CHAARN Fc1ccc(-c2csc(/C=C/c3csnn3)n2)cc1 ZINC000059269654 567190654 /nfs/dbraw/zinc/19/06/54/567190654.db2.gz SABLVTCIFGWTRG-AATRIKPKSA-N 0 0 289.360 3.971 50 0 CHAARN O=C(C1CCC1)N1CCS[C@H](c2ccccc2F)CC1 ZINC000219110174 567191793 /nfs/dbraw/zinc/19/17/93/567191793.db2.gz TZOJZYDRBMPPFF-HNNXBMFYSA-N 0 0 293.407 3.632 50 0 CHAARN O=C1[C@@H]2CC=CC[C@@H]2[C@@H]2c3[nH]c4ccccc4c3CCCN12 ZINC000229742319 567192948 /nfs/dbraw/zinc/19/29/48/567192948.db2.gz XUWVWNMIJTWBHD-HDMKZQKVSA-N 0 0 292.382 3.580 50 0 biogenic CHAARN CC[C@@]1(C)N=C(c2ccc(Br)cc2)C(=S)N1 ZINC000067240490 567195580 /nfs/dbraw/zinc/19/55/80/567195580.db2.gz LEVIWDCCXVSXDD-LBPRGKRZSA-N 0 0 297.221 3.706 50 0 CHAARN COc1cccc(OC)c1-c1n[nH]c2ccc(C)cc21 ZINC000067894789 567197703 /nfs/dbraw/zinc/19/77/03/567197703.db2.gz JPSRSXGKADYESF-UHFFFAOYSA-N 0 0 268.316 3.556 50 0 CHAARN C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(C(C)(C)C)cc1 ZINC000040108703 567199112 /nfs/dbraw/zinc/19/91/12/567199112.db2.gz QWVGDYVMXLWVMY-CZUORRHYSA-N 0 0 289.419 3.730 50 0 CHAARN Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@@H]1C[C@H]1C ZINC000069452839 567200381 /nfs/dbraw/zinc/20/03/81/567200381.db2.gz NFEOQMQMCRDUPX-ZWNOBZJWSA-N 0 0 299.399 3.531 50 0 CHAARN CC(C)Oc1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000069492836 567201102 /nfs/dbraw/zinc/20/11/02/567201102.db2.gz YTQWWZWPEHYCFI-UHFFFAOYSA-N 0 0 277.242 3.585 50 0 CHAARN O=C(c1cccc(NCc2ccccc2F)c1)N1CCCC1 ZINC000069529074 567201879 /nfs/dbraw/zinc/20/18/79/567201879.db2.gz ZEQTZCNGOFFVLQ-UHFFFAOYSA-N 0 0 298.361 3.674 50 0 CHAARN Cc1cc(CN(C)[C@@H](c2ccccc2)C(F)(F)F)on1 ZINC000069565617 567202161 /nfs/dbraw/zinc/20/21/61/567202161.db2.gz FULVCTZUKLFTFD-ZDUSSCGKSA-N 0 0 284.281 3.718 50 0 CHAARN CCCNc1cc(C)nc2c(-c3ccc(C)cc3)cnn21 ZINC000010383637 567205260 /nfs/dbraw/zinc/20/52/60/567205260.db2.gz IHXSQLWAWSUXFQ-UHFFFAOYSA-N 0 0 280.375 3.835 50 0 CHAARN C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000042673840 567205750 /nfs/dbraw/zinc/20/57/50/567205750.db2.gz RHFOZDXALJMSIU-FXQIFTODSA-N 0 0 290.165 3.966 50 0 CHAARN O=C(CSC1CCCCC1)Nc1ccc(Cl)cn1 ZINC000042368451 567205988 /nfs/dbraw/zinc/20/59/88/567205988.db2.gz MHBAGRINULCAEJ-UHFFFAOYSA-N 0 0 284.812 3.739 50 0 CHAARN Cc1ccc([C@H](NC(=O)[C@H]2C[C@@H]2C)c2ccccc2)cc1 ZINC000010213163 567206120 /nfs/dbraw/zinc/20/61/20/567206120.db2.gz RNPPWNQPHOBLCG-JCGIZDLHSA-N 0 0 279.383 3.857 50 0 CHAARN CCc1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1 ZINC000010412753 567206149 /nfs/dbraw/zinc/20/61/49/567206149.db2.gz CBJHEUFMEOSICL-UHFFFAOYSA-N 0 0 297.354 3.549 50 0 CHAARN C[C@@H](SCc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000010285041 567206354 /nfs/dbraw/zinc/20/63/54/567206354.db2.gz IQHDPLJPNOOFOO-CQSZACIVSA-N 0 0 285.412 3.971 50 0 CHAARN C=C1c2ccccc2NC(=O)N1Cc1cccc(OC)c1 ZINC000024926475 567212405 /nfs/dbraw/zinc/21/24/05/567212405.db2.gz RCLGKEDJRMSTDF-UHFFFAOYSA-N 0 0 280.327 3.714 50 0 CHAARN Cc1ccc(-c2csc(-c3cccc(C(N)=O)c3)n2)cc1 ZINC000059018065 567217343 /nfs/dbraw/zinc/21/73/43/567217343.db2.gz DKAYTSOPKLGJBQ-UHFFFAOYSA-N 0 0 294.379 3.884 50 0 CHAARN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1 ZINC000000029952 567816413 /nfs/dbraw/zinc/81/64/13/567816413.db2.gz KDJJNWSOZMEYKT-UHFFFAOYSA-N 0 0 269.344 3.954 50 0 CHAARN CCc1cccc(C)c1NC(=O)c1ccc2c(c1)OCO2 ZINC000000030180 567816512 /nfs/dbraw/zinc/81/65/12/567816512.db2.gz HIXISAKRKPZGJK-UHFFFAOYSA-N 0 0 283.327 3.538 50 0 CHAARN c1ccc(CCNc2ncnc3sc4c(c32)CCC4)cc1 ZINC000000038250 567816775 /nfs/dbraw/zinc/81/67/75/567816775.db2.gz RWRHATUXEXKLFP-UHFFFAOYSA-N 0 0 295.411 3.835 50 0 CHAARN CC(C)NC(=O)c1ccccc1CCc1ccccc1 ZINC000000038080 567816777 /nfs/dbraw/zinc/81/67/77/567816777.db2.gz OHEPAXHUCUROJI-UHFFFAOYSA-N 0 0 267.372 3.610 50 0 CHAARN Cc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1C ZINC000000044485 567816913 /nfs/dbraw/zinc/81/69/13/567816913.db2.gz OXISMDGTTXJCJA-UHFFFAOYSA-N 0 0 283.371 3.938 50 0 CHAARN O=c1c(Br)coc2c(Cl)cc(Cl)cc12 ZINC000000057956 567817133 /nfs/dbraw/zinc/81/71/33/567817133.db2.gz VOMDGEQRRZNLJP-UHFFFAOYSA-N 0 0 293.931 3.862 50 0 CHAARN COc1cccc(OC)c1C(=O)Nc1c(C)cc(C)cc1C ZINC000000073266 567817576 /nfs/dbraw/zinc/81/75/76/567817576.db2.gz RRVGVCLMRUMPFJ-UHFFFAOYSA-N 0 0 299.370 3.881 50 0 CHAARN COc1ccc(-c2cc3c([nH]2)c2ccccc2oc3=O)cc1 ZINC000000070289 567817614 /nfs/dbraw/zinc/81/76/14/567817614.db2.gz RHVRPDILLVHUIF-UHFFFAOYSA-N 0 0 291.306 3.950 50 0 CHAARN O=C(NCc1csc2ccccc12)c1ccccc1 ZINC000000069437 567817631 /nfs/dbraw/zinc/81/76/31/567817631.db2.gz DCWURWIBENHDKH-UHFFFAOYSA-N 0 0 267.353 3.831 50 0 CHAARN Cc1nc(-c2noc(-c3ccccc3)n2)c(C(F)(F)F)o1 ZINC000000077682 567817704 /nfs/dbraw/zinc/81/77/04/567817704.db2.gz HDHOESRSKLXENM-UHFFFAOYSA-N 0 0 295.220 3.719 50 0 CHAARN COc1ccc(OC(=O)N(C)c2ccc(C)cc2)cc1 ZINC000000079619 567817720 /nfs/dbraw/zinc/81/77/20/567817720.db2.gz DKUZEBWZCWPDQE-UHFFFAOYSA-N 0 0 271.316 3.639 50 0 CHAARN Oc1cccc(Nc2nc(-c3ccccn3)cs2)c1 ZINC000000088152 567817817 /nfs/dbraw/zinc/81/78/17/567817817.db2.gz GIGNWEDIMLUWCT-UHFFFAOYSA-N 0 0 269.329 3.654 50 0 CHAARN Clc1ccc(OCc2nc(-c3ccccc3)no2)cc1 ZINC000000087921 567817873 /nfs/dbraw/zinc/81/78/73/567817873.db2.gz BWQVYPUSWGEMLK-UHFFFAOYSA-N 0 0 286.718 3.969 50 0 CHAARN S=C1NC2(CCCCCC2)NN1c1ccc(Cl)cc1 ZINC000000087888 567817901 /nfs/dbraw/zinc/81/79/01/567817901.db2.gz GZNKNMWYOWFRRM-UHFFFAOYSA-N 0 0 295.839 3.590 50 0 CHAARN Cc1cc2c(cc1C)[C@@H](c1ccsc1)CC(=O)N2 ZINC000000091741 567817970 /nfs/dbraw/zinc/81/79/70/567817970.db2.gz AZOHVYIQQDEUMN-GFCCVEGCSA-N 0 0 257.358 3.839 50 0 CHAARN COC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000000171671 567821300 /nfs/dbraw/zinc/82/13/00/567821300.db2.gz JZCUTYCKIFLPKV-UHFFFAOYSA-N 0 0 252.722 3.855 50 0 CHAARN COc1ccc(Cl)cc1NC(=O)c1ccccc1 ZINC000000102706 567818160 /nfs/dbraw/zinc/81/81/60/567818160.db2.gz QBLZTUCZTOTIHG-UHFFFAOYSA-N 0 0 261.708 3.601 50 0 CHAARN Clc1ccc2nc(N3CCCCC3)sc2c1 ZINC000000111512 567818562 /nfs/dbraw/zinc/81/85/62/567818562.db2.gz AMPMJDZQHGJUFG-UHFFFAOYSA-N 0 0 252.770 3.940 50 0 CHAARN COc1ccc(/C=C/C(=O)Nc2ccccc2C)cc1OC ZINC000000116068 567818636 /nfs/dbraw/zinc/81/86/36/567818636.db2.gz MVSXZLFLVWQYJN-PKNBQFBNSA-N 0 0 297.354 3.664 50 0 biogenic CHAARN Cc1cc(OCC(=O)Nc2nccs2)ccc1C(C)C ZINC000000120516 567818750 /nfs/dbraw/zinc/81/87/50/567818750.db2.gz RTBHIMXTEORQIT-UHFFFAOYSA-N 0 0 290.388 3.592 50 0 CHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)C(C)(C)C ZINC000000118525 567818788 /nfs/dbraw/zinc/81/87/88/567818788.db2.gz DUUHTCZYDUJQBG-UHFFFAOYSA-N 0 0 283.393 3.526 50 0 CHAARN Cc1nc(-c2cccs2)sc1-c1ccnc(C)n1 ZINC000000121327 567818832 /nfs/dbraw/zinc/81/88/32/567818832.db2.gz XNBZHZUOHMKIBH-UHFFFAOYSA-N 0 0 273.386 3.945 50 0 CHAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCCC1 ZINC000000117270 567818880 /nfs/dbraw/zinc/81/88/80/567818880.db2.gz IBPQONCUHONGQW-UHFFFAOYSA-N 0 0 279.339 3.547 50 0 CHAARN O[C@H](Cc1ccc2ccccc2n1)C(Cl)(Cl)Cl ZINC000000123638 567819121 /nfs/dbraw/zinc/81/91/21/567819121.db2.gz NZHSXBNFZVWFFB-LLVKDONJSA-N 0 0 290.577 3.508 50 0 CHAARN O=C(NCc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000000128759 567819396 /nfs/dbraw/zinc/81/93/96/567819396.db2.gz WNRUZDLCZDWZTD-UHFFFAOYSA-N 0 0 280.154 3.923 50 0 CHAARN FC(F)(F)c1cccc(NCn2nnc3ccccc32)c1 ZINC000000139125 567819689 /nfs/dbraw/zinc/81/96/89/567819689.db2.gz MWNMXFODLHSTMI-UHFFFAOYSA-N 0 0 292.264 3.520 50 0 CHAARN COc1cc(C=O)ccc1OCc1c(F)cccc1Cl ZINC000000152448 567820253 /nfs/dbraw/zinc/82/02/53/567820253.db2.gz GYBXSWQBJQILED-UHFFFAOYSA-N 0 0 294.709 3.879 50 0 CHAARN Cc1c(C(=O)N(C)C2CCCCC2)cnn1-c1ccccc1 ZINC000000154818 567820327 /nfs/dbraw/zinc/82/03/27/567820327.db2.gz NSNBSQOXFRTPEK-UHFFFAOYSA-N 0 0 297.402 3.585 50 0 CHAARN O=Cc1ccccc1OCc1ccc(Br)cc1 ZINC000000151807 567820336 /nfs/dbraw/zinc/82/03/36/567820336.db2.gz JQBAWYNQHBJOPD-UHFFFAOYSA-N 0 0 291.144 3.841 50 0 CHAARN O=C(CSC1CCCCC1)Nc1ccc(F)cc1 ZINC000000149410 567820363 /nfs/dbraw/zinc/82/03/63/567820363.db2.gz DAVXZVFDHRDDLG-UHFFFAOYSA-N 0 0 267.369 3.830 50 0 CHAARN CCC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000000149449 567820484 /nfs/dbraw/zinc/82/04/84/567820484.db2.gz QHWQGNTYRDNUOM-UHFFFAOYSA-N 0 0 260.362 3.775 50 0 CHAARN O=Cc1cn(Cc2cc(F)cc(F)c2)c2ccccc12 ZINC000000163514 567821043 /nfs/dbraw/zinc/82/10/43/567821043.db2.gz DCGPWKQMOHZUIE-UHFFFAOYSA-N 0 0 271.266 3.780 50 0 CHAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1C=O ZINC000000165885 567821139 /nfs/dbraw/zinc/82/11/39/567821139.db2.gz XFOQMTOCKSVCBO-UHFFFAOYSA-N 0 0 278.691 3.589 50 0 CHAARN Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)no1 ZINC000000175126 567821471 /nfs/dbraw/zinc/82/14/71/567821471.db2.gz SOBOOVWVWQROCF-UHFFFAOYSA-N 0 0 271.103 3.542 50 0 CHAARN CC(C)(C)c1cccc(NC(=S)N2CCSCC2)c1 ZINC000000172815 567821490 /nfs/dbraw/zinc/82/14/90/567821490.db2.gz RJKVQBUJPODLBM-UHFFFAOYSA-N 0 0 294.489 3.730 50 0 CHAARN O=C(c1ccccc1F)N1CCC[C@@H](c2ccccc2)C1 ZINC000000177758 567821668 /nfs/dbraw/zinc/82/16/68/567821668.db2.gz SEONMRTYCREPFJ-OAHLLOKOSA-N 0 0 283.346 3.846 50 0 CHAARN Cc1ccc(C(=O)Nc2ccc3ccccc3c2)o1 ZINC000000182989 567821743 /nfs/dbraw/zinc/82/17/43/567821743.db2.gz GVULYUUOHPSLMA-UHFFFAOYSA-N 0 0 251.285 3.994 50 0 CHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCC1 ZINC000000183589 567821752 /nfs/dbraw/zinc/82/17/52/567821752.db2.gz CNRQABQHJNMMCM-UHFFFAOYSA-N 0 0 290.750 3.539 50 0 CHAARN Cc1ccc(-c2nnc(-c3cccc(F)c3)o2)cc1 ZINC000000188994 567821795 /nfs/dbraw/zinc/82/17/95/567821795.db2.gz ZJEPRWHYIHNIFR-UHFFFAOYSA-N 0 0 254.264 3.851 50 0 CHAARN COc1ccc2c(=O)c(-c3ccccc3)coc2c1C ZINC000000189959 567821824 /nfs/dbraw/zinc/82/18/24/567821824.db2.gz NZMHSFKLMZHZNF-UHFFFAOYSA-N 0 0 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280.780 3.974 50 0 CHAARN c1nn(-c2nc(-c3ccccc3)cs2)c2c1CCCC2 ZINC000000387602 567828352 /nfs/dbraw/zinc/82/83/52/567828352.db2.gz LMMVUSDXXSYOGY-UHFFFAOYSA-N 0 0 281.384 3.875 50 0 CHAARN COc1ccccc1OC(=O)c1ccccc1Cl ZINC000000385920 567828477 /nfs/dbraw/zinc/82/84/77/567828477.db2.gz PEIYYNSPTJHVPY-UHFFFAOYSA-N 0 0 262.692 3.568 50 0 CHAARN CSc1nc(=O)c2c([nH]1)sc(C)c2-c1ccccc1 ZINC000000387998 567828499 /nfs/dbraw/zinc/82/84/99/567828499.db2.gz VVZLFRMDPREYAS-UHFFFAOYSA-N 0 0 288.397 3.682 50 0 CHAARN C[C@@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C)(C)C1 ZINC000000393813 567828542 /nfs/dbraw/zinc/82/85/42/567828542.db2.gz WSSJONWNBBTCMG-VXGBXAGGSA-N 0 0 262.349 3.764 50 0 in-man CHAARN CCC(=O)c1ccc(OCc2ccccc2)c(C)c1O ZINC000000391462 567828689 /nfs/dbraw/zinc/82/86/89/567828689.db2.gz SNCPAECTSFJVAN-UHFFFAOYSA-N 0 0 270.328 3.872 50 0 CHAARN C[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2)C1 ZINC000000396499 567829064 /nfs/dbraw/zinc/82/90/64/567829064.db2.gz DRHPHAUNKNPCHN-JTQLQIEISA-N 0 0 252.745 3.604 50 0 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Cc1cc(C(=O)Nc2c(Cl)cccc2Cl)no1 ZINC000000426263 567830042 /nfs/dbraw/zinc/83/00/42/567830042.db2.gz VSEACZCDIFRYMJ-UHFFFAOYSA-N 0 0 271.103 3.542 50 0 CHAARN CCCN(CCC)C(=O)c1cc(Cl)ccc1OC ZINC000000443942 567830222 /nfs/dbraw/zinc/83/02/22/567830222.db2.gz HJIFKWVQAFQVCJ-UHFFFAOYSA-N 0 0 269.772 3.611 50 0 CHAARN C[C@@H](NC(=O)C(C)(C)C)c1ccc(Br)cc1 ZINC000000439384 567830282 /nfs/dbraw/zinc/83/02/82/567830282.db2.gz ZLUNJWQJXQFSAM-SECBINFHSA-N 0 0 284.197 3.672 50 0 CHAARN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)o1 ZINC000000442512 567830311 /nfs/dbraw/zinc/83/03/11/567830311.db2.gz BZRARKVVACBBIX-UHFFFAOYSA-N 0 0 269.222 3.859 50 0 CHAARN CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000000442598 567830382 /nfs/dbraw/zinc/83/03/82/567830382.db2.gz FTEADKODNNCGGW-OAHLLOKOSA-N 0 0 297.354 3.590 50 0 CHAARN CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000000441422 567830395 /nfs/dbraw/zinc/83/03/95/567830395.db2.gz AIKJBRBXEPBNTL-DLBZAZTESA-N 0 0 265.356 3.991 50 0 CHAARN 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O=C(CCc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000002517360 567847070 /nfs/dbraw/zinc/84/70/70/567847070.db2.gz KDXITCYWNAIQDX-UHFFFAOYSA-N 0 0 264.246 3.919 50 0 CHAARN Cc1ccc(C(=O)CCNc2ccc(F)cc2)cc1 ZINC000002521057 567847402 /nfs/dbraw/zinc/84/74/02/567847402.db2.gz GKGVHGSYMISIIQ-UHFFFAOYSA-N 0 0 257.308 3.819 50 0 CHAARN O=Cc1ccc(-c2cc(Cl)cc(Cl)c2)nc1 ZINC000002527579 567847706 /nfs/dbraw/zinc/84/77/06/567847706.db2.gz AYRBJVNKGLHQDQ-UHFFFAOYSA-N 0 0 252.100 3.868 50 0 CHAARN Cc1ccccc1-n1cc(CO)c(-c2ccc(Cl)cc2)n1 ZINC000002544750 567847883 /nfs/dbraw/zinc/84/78/83/567847883.db2.gz BNXIVHARTOHYBV-UHFFFAOYSA-N 0 0 298.773 3.993 50 0 CHAARN CCOC(=O)c1ccccc1-c1ccccc1C(=O)OCC ZINC000002566811 567848328 /nfs/dbraw/zinc/84/83/28/567848328.db2.gz DAISCGBNAKDWHR-UHFFFAOYSA-N 0 0 298.338 3.707 50 0 CHAARN CCCCc1ccc(C(=O)CCCC(=O)OCC)cc1 ZINC000002580369 567848365 /nfs/dbraw/zinc/84/83/65/567848365.db2.gz DDRKUZWCAZJINS-UHFFFAOYSA-N 0 0 276.376 3.945 50 0 CHAARN O=C(Cc1ccc(Br)cc1)c1ccccc1 ZINC000002575566 567848498 /nfs/dbraw/zinc/84/84/98/567848498.db2.gz GPTAKAWFMITEOL-UHFFFAOYSA-N 0 0 275.145 3.875 50 0 CHAARN Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1 ZINC000002695292 567848988 /nfs/dbraw/zinc/84/89/88/567848988.db2.gz VZDWQBVFUYCUPQ-ZDUSSCGKSA-N 0 0 287.334 3.849 50 0 CHAARN CCc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000002755594 567849004 /nfs/dbraw/zinc/84/90/04/567849004.db2.gz CDNIWRNMHWCQAU-DLBZAZTESA-N 0 0 265.356 3.991 50 0 CHAARN CCCCCCNC(=O)c1ccc(SC)cc1OC ZINC000002743520 567849108 /nfs/dbraw/zinc/84/91/08/567849108.db2.gz JZZBLGGUZRGLJU-UHFFFAOYSA-N 0 0 281.421 3.727 50 0 CHAARN CCCC[C@@H](CC)C(=O)NCc1ccc(F)cc1 ZINC000002748870 567849147 /nfs/dbraw/zinc/84/91/47/567849147.db2.gz VUXZNWFEOJKQGV-CYBMUJFWSA-N 0 0 251.345 3.658 50 0 CHAARN Cc1ccccc1N1C(=O)S[C@H](Nc2ccccc2)C1=O ZINC000002706925 567849244 /nfs/dbraw/zinc/84/92/44/567849244.db2.gz JXBGOWBDRGWOJP-AWEZNQCLSA-N 0 0 298.367 3.633 50 0 CHAARN O=C(NCCCc1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000002773696 567849450 /nfs/dbraw/zinc/84/94/50/567849450.db2.gz MMXKWCODVXSRBQ-ZWKOTPCHSA-N 0 0 279.383 3.539 50 0 CHAARN C[C@H](Oc1ccccc1)C(=O)Nc1nc2ccccc2s1 ZINC000002807441 567849566 /nfs/dbraw/zinc/84/95/66/567849566.db2.gz WGXJLSXKUHGEQW-NSHDSACASA-N 0 0 298.367 3.702 50 0 CHAARN COc1ccccc1[C@@H]1C[C@@H](C(F)(F)F)n2nccc2N1 ZINC000002774940 567849659 /nfs/dbraw/zinc/84/96/59/567849659.db2.gz HBCXWEXMERAVIT-JQWIXIFHSA-N 0 0 297.280 3.552 50 0 CHAARN CCCCc1ccc2nc(NC(=O)CC)sc2c1 ZINC000002838562 567849660 /nfs/dbraw/zinc/84/96/60/567849660.db2.gz ZNWHWPOBCNDSIC-UHFFFAOYSA-N 0 0 262.378 3.987 50 0 CHAARN CCCCSc1nnc2c3ccccc3n(CC)c2n1 ZINC000002869073 567849719 /nfs/dbraw/zinc/84/97/19/567849719.db2.gz AJUCXMKABBPHGD-UHFFFAOYSA-N 0 0 286.404 3.892 50 0 CHAARN COc1ccccc1OCCCn1cnc2ccccc21 ZINC000002868223 567849973 /nfs/dbraw/zinc/84/99/73/567849973.db2.gz IDWOKKSHKDTGIT-UHFFFAOYSA-N 0 0 282.343 3.514 50 0 CHAARN COc1ccccc1OCCCOc1ccc(C)cc1 ZINC000002904434 567850681 /nfs/dbraw/zinc/85/06/81/567850681.db2.gz XTIVYTGKSGDDOD-UHFFFAOYSA-N 0 0 272.344 3.852 50 0 CHAARN COc1ccc(C(=O)N[C@@H](C)CCCC(C)C)cc1OC ZINC000002989781 567850988 /nfs/dbraw/zinc/85/09/88/567850988.db2.gz WGCFLERLVRHBAD-ZDUSSCGKSA-N 0 0 293.407 3.648 50 0 CHAARN Cn1c(=O)cc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000003131604 567851746 /nfs/dbraw/zinc/85/17/46/567851746.db2.gz FQGPKTNLTWFWBW-UHFFFAOYSA-N 0 0 269.731 3.859 50 0 CHAARN CCOc1ccc2nc(-c3ccc(N)cc3)sc2c1 ZINC000003185350 567852023 /nfs/dbraw/zinc/85/20/23/567852023.db2.gz LEOZQOJMMLSBDY-UHFFFAOYSA-N 0 0 270.357 3.944 50 0 CHAARN CCC(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 ZINC000034840203 567852027 /nfs/dbraw/zinc/85/20/27/567852027.db2.gz MSSKVJPALXCLJX-UHFFFAOYSA-N 0 0 256.305 3.531 50 0 CHAARN Cc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000003352717 567852510 /nfs/dbraw/zinc/85/25/10/567852510.db2.gz GPIBVCFNXMQNSQ-UHFFFAOYSA-N 0 0 295.294 3.722 50 0 CHAARN C(=C/c1ccccc1)\CNc1ccc2c(c1)OCCO2 ZINC000003416020 567852746 /nfs/dbraw/zinc/85/27/46/567852746.db2.gz MGDYQXNAHHLFFD-QPJJXVBHSA-N 0 0 267.328 3.583 50 0 CHAARN CCn1c(=S)[nH]cc1-c1ccc(Br)cc1 ZINC000003440562 567852876 /nfs/dbraw/zinc/85/28/76/567852876.db2.gz VIZTYUGVWFOATO-UHFFFAOYSA-N 0 0 283.194 3.995 50 0 CHAARN CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1 ZINC000003567274 567853022 /nfs/dbraw/zinc/85/30/22/567853022.db2.gz GKGMIEJEYYCNQT-UHFFFAOYSA-N 0 0 285.343 3.655 50 0 CHAARN O=C(NCc1cccs1)c1ccc2ccccc2c1 ZINC000003557905 567853252 /nfs/dbraw/zinc/85/32/52/567853252.db2.gz NVXFNZPWMLPKEP-UHFFFAOYSA-N 0 0 267.353 3.831 50 0 CHAARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1CCC2=O ZINC000003849584 567854008 /nfs/dbraw/zinc/85/40/08/567854008.db2.gz QGXBDMJGAMFCBF-DQPZPLTKSA-N 0 0 290.447 3.959 50 0 biogenic,in-vitro CHAARN CCC(=O)N[C@@H]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000003995796 567854662 /nfs/dbraw/zinc/85/46/62/567854662.db2.gz RCYLUNPFECYGDW-AEFFLSMTSA-N 0 0 279.383 3.660 50 0 in-vitro CHAARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC2=O ZINC000004023563 567854725 /nfs/dbraw/zinc/85/47/25/567854725.db2.gz LUJVUUWNAPIQQI-KWWJQKEASA-N 0 0 284.399 3.863 50 0 biogenic CHAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccco1 ZINC000004031662 567854950 /nfs/dbraw/zinc/85/49/50/567854950.db2.gz XXLNVRGXECGOQP-UHFFFAOYSA-N 0 0 278.720 3.795 50 0 aggregator CHAARN COc1ccc(-c2onc3ccc(C(C)=O)cc32)cc1 ZINC000004050697 567855041 /nfs/dbraw/zinc/85/50/41/567855041.db2.gz IDCLZCHBTCKTCE-UHFFFAOYSA-N 0 0 267.284 3.706 50 0 CHAARN c1ccc(CN2CCc3nc4ccccc4cc3C2)cc1 ZINC000004050323 567855147 /nfs/dbraw/zinc/85/51/47/567855147.db2.gz BIGIFNAKNRWTPE-UHFFFAOYSA-N 0 0 274.367 3.793 50 0 CHAARN O=C1N[C@H](c2ccc3ccccc3c2)Nc2ccccc21 ZINC000004108235 567855367 /nfs/dbraw/zinc/85/53/67/567855367.db2.gz FPWOVEKUXZJCTE-QGZVFWFLSA-N 0 0 274.323 3.694 50 0 CHAARN CC1(C)C[C@@H](O)C[C@@]2(C1)C[C@]1(C)C[C@@H](O)[C@H]2C(C)(C)C1 ZINC000004127737 567855439 /nfs/dbraw/zinc/85/54/39/567855439.db2.gz 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HNKJQNYHGLCQMD-UHFFFAOYSA-N 0 0 269.344 3.662 50 0 CHAARN CCc1nnc(CNc2c(F)cccc2NC(C)C)s1 ZINC000097371491 567859870 /nfs/dbraw/zinc/85/98/70/567859870.db2.gz KOYQOSVQOJQLCP-UHFFFAOYSA-N 0 0 294.399 3.672 50 0 CHAARN Cc1csc(NC(=O)[C@@H](C)Nc2ccc(C)c(C)c2)n1 ZINC000007460204 567859904 /nfs/dbraw/zinc/85/99/04/567859904.db2.gz NWVRGFDNKFSBCC-GFCCVEGCSA-N 0 0 289.404 3.507 50 0 CHAARN C[C@@H]1CCc2c(C(=O)NCCc3ccccc3)csc2C1 ZINC000002708153 567859939 /nfs/dbraw/zinc/85/99/39/567859939.db2.gz OZBMAACOSAOIHK-CYBMUJFWSA-N 0 0 299.439 3.845 50 0 CHAARN CN(C)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000002663085 567860136 /nfs/dbraw/zinc/86/01/36/567860136.db2.gz JAXSTDPBMDZYEX-SFHVURJKSA-N 0 0 294.398 3.560 50 0 CHAARN Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 ZINC000002763964 567860352 /nfs/dbraw/zinc/86/03/52/567860352.db2.gz IJCHAUYFUDZDHM-INIZCTEOSA-N 0 0 297.398 3.868 50 0 CHAARN Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000002764562 567860471 /nfs/dbraw/zinc/86/04/71/567860471.db2.gz MGBSIWLJAHVNTM-HOTGVXAUSA-N 0 0 297.398 3.948 50 0 CHAARN O=C(CCc1ccccc1)NCCCCc1ccccc1 ZINC000002779521 567860660 /nfs/dbraw/zinc/86/06/60/567860660.db2.gz BXZPSVQSTRNAKY-UHFFFAOYSA-N 0 0 281.399 3.758 50 0 CHAARN CCc1ccc(CCC(=O)N2CCc3ccccc32)cc1 ZINC000010365038 567861388 /nfs/dbraw/zinc/86/13/88/567861388.db2.gz MSPSYZDJPQHYIX-UHFFFAOYSA-N 0 0 279.383 3.771 50 0 CHAARN O=C(CCc1ccccc1Cl)NC1CCCCC1 ZINC000010457746 567861772 /nfs/dbraw/zinc/86/17/72/567861772.db2.gz XSGSTLUTSYXRLU-UHFFFAOYSA-N 0 0 265.784 3.722 50 0 CHAARN Cc1ccccc1C(=O)NCc1cccc(OC(C)C)c1 ZINC000010542714 567861944 /nfs/dbraw/zinc/86/19/44/567861944.db2.gz UMVXFDYMAZELBY-UHFFFAOYSA-N 0 0 283.371 3.712 50 0 CHAARN O=C(Cc1ccccc1)Nc1nc2c(cccc2F)s1 ZINC000004331612 567862021 /nfs/dbraw/zinc/86/20/21/567862021.db2.gz SSTRLCOJHYEQOV-UHFFFAOYSA-N 0 0 286.331 3.617 50 0 CHAARN Cc1cccc(NC(=O)c2oc3ccccc3c2N)c1 ZINC000012062680 567862084 /nfs/dbraw/zinc/86/20/84/567862084.db2.gz LRCFICBSGDIFSS-UHFFFAOYSA-N 0 0 266.300 3.576 50 0 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COc1ccc(-c2ccccc2C(=O)NC(C)C)cc1F ZINC000067866960 567900834 /nfs/dbraw/zinc/90/08/34/567900834.db2.gz OOXOZIYSONUSSK-UHFFFAOYSA-N 0 0 287.334 3.640 50 0 CHAARN COc1ccc(C)cc1-c1ncnc2scc(C)c21 ZINC000067757891 567900839 /nfs/dbraw/zinc/90/08/39/567900839.db2.gz HQPIPZGQSYOXJI-UHFFFAOYSA-N 0 0 270.357 3.984 50 0 CHAARN C[C@@H](c1cccnc1)N(C)C(=O)c1cc(Cl)ccc1F ZINC000068170264 567901054 /nfs/dbraw/zinc/90/10/54/567901054.db2.gz JGCSFLZIXNVWPX-JTQLQIEISA-N 0 0 292.741 3.707 50 0 CHAARN CCc1ccc(NC(=O)CCc2ccc3c(c2)CCO3)cc1 ZINC000068741196 567901259 /nfs/dbraw/zinc/90/12/59/567901259.db2.gz BVTBASXFZBNUFA-UHFFFAOYSA-N 0 0 295.382 3.755 50 0 CHAARN COc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004677238 567901361 /nfs/dbraw/zinc/90/13/61/567901361.db2.gz GBVANKVMIBXCEI-UHFFFAOYSA-N 0 0 299.414 3.528 50 0 CHAARN C[C@H](Cc1ccco1)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000033206605 567901668 /nfs/dbraw/zinc/90/16/68/567901668.db2.gz QSVFGLFZMRRNPO-SECBINFHSA-N 0 0 298.169 3.947 50 0 CHAARN 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CCOC(=O)Nc1c2sc(Cl)nc2ccc1F ZINC000075251581 567903546 /nfs/dbraw/zinc/90/35/46/567903546.db2.gz SIDNQCULOANOBO-UHFFFAOYSA-N 0 0 274.704 3.657 50 0 CHAARN Cc1cc2sc(NC[C@@H]3CCCO3)nc2c(C)c1 ZINC000075172860 567903619 /nfs/dbraw/zinc/90/36/19/567903619.db2.gz DXEAUHURDYQICY-NSHDSACASA-N 0 0 262.378 3.504 50 0 CHAARN Clc1ccc(-c2csc3c4ncnc-4ncn23)cc1 ZINC000000054405 567906243 /nfs/dbraw/zinc/90/62/43/567906243.db2.gz VBSIGGBFTCTPCZ-UHFFFAOYSA-N 0 0 286.747 3.611 50 0 CHAARN CCc1ccccc1C(=O)N1CCCC[C@@H]1CCCOC ZINC000082120033 567906865 /nfs/dbraw/zinc/90/68/65/567906865.db2.gz ITKFLSAUFVCECQ-MRXNPFEDSA-N 0 0 289.419 3.670 50 0 CHAARN CC(C)(C)C(=O)NC[C@H](c1ccco1)c1cccs1 ZINC000585146704 567907179 /nfs/dbraw/zinc/90/71/79/567907179.db2.gz DWZIEIAZUCDMRO-LLVKDONJSA-N 0 0 277.389 3.635 50 0 CHAARN Oc1ccc(CNc2ccccc2F)c2cccnc12 ZINC000000075148 567907555 /nfs/dbraw/zinc/90/75/55/567907555.db2.gz IBWIAHQQJVGIDZ-UHFFFAOYSA-N 0 0 268.291 3.692 50 0 CHAARN CCCCOc1cccc(C(=O)Nc2cccnc2)c1 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/nfs/dbraw/zinc/92/51/51/567925151.db2.gz QZIUZIGEWJCBNK-DHZHZOJOSA-N 0 0 266.344 3.857 50 0 CHAARN Cc1c(Cl)cccc1NC(=O)C(Cl)(Cl)Cl ZINC000000241307 567925348 /nfs/dbraw/zinc/92/53/48/567925348.db2.gz VICBURFXMZTGOA-UHFFFAOYSA-N 0 0 286.973 3.957 50 0 CHAARN Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000000240618 567925357 /nfs/dbraw/zinc/92/53/57/567925357.db2.gz XELFAVNRZGMDMM-UHFFFAOYSA-N 0 0 282.126 3.916 50 0 CHAARN COc1ccc2c(c1)C(=O)C[C@@H](c1ccccc1F)O2 ZINC000000235474 567925407 /nfs/dbraw/zinc/92/54/07/567925407.db2.gz ZEWWYULIPGVKHG-INIZCTEOSA-N 0 0 272.275 3.541 50 0 biogenic CHAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(Br)cc1 ZINC000000241328 567925532 /nfs/dbraw/zinc/92/55/32/567925532.db2.gz SPWZKDGGVURQEO-GHMZBOCLSA-N 0 0 296.208 3.852 50 0 CHAARN COc1cccc(CNc2cc(C)ccc2C)c1OC ZINC000000263362 567925597 /nfs/dbraw/zinc/92/55/97/567925597.db2.gz QXOWQCCXQOIKON-UHFFFAOYSA-N 0 0 271.360 3.933 50 0 CHAARN F[C@@H](OC(F)(F)F)c1nc2cc(Cl)ccc2[nH]1 ZINC000000260876 567925750 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/nfs/dbraw/zinc/64/75/28/169647528.db2.gz GRYIQMBGXXDTFE-UHFFFAOYSA-N 0 0 280.707 3.607 50 0 CHAARN O=C(CSc1ccc(F)cc1)Nc1ccccc1F ZINC000000469468 169648857 /nfs/dbraw/zinc/64/88/57/169648857.db2.gz IWPLUKLPUXQBLA-UHFFFAOYSA-N 0 0 279.311 3.696 50 0 CHAARN O=C(/C=C/c1cccc(Cl)c1)NCc1ccc(F)cc1 ZINC000000473987 169650192 /nfs/dbraw/zinc/65/01/92/169650192.db2.gz MEGNIMPGHRNPLW-RMKNXTFCSA-N 0 0 289.737 3.809 50 0 CHAARN CCOc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000476039 169650583 /nfs/dbraw/zinc/65/05/83/169650583.db2.gz BQCZYGSHJXLCRQ-HUUCEWRRSA-N 0 0 281.355 3.828 50 0 CHAARN CC(C)=CCOc1cc(C)cc2oc(=O)c3c(c12)CCC3 ZINC000004027842 184529038 /nfs/dbraw/zinc/52/90/38/184529038.db2.gz VESPTOBATZQEGF-UHFFFAOYSA-N 0 0 284.355 3.935 50 0 biogenic CHAARN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O ZINC000004081943 184531056 /nfs/dbraw/zinc/53/10/56/184531056.db2.gz VMYTXBKVYDESSJ-HKQXQEGQSA-N 0 0 288.431 3.879 50 0 biogenic,in-vitro CHAARN CSc1nc2sc3c(c2c(N2CCCC2)n1)CCC3 ZINC000000477111 169651521 /nfs/dbraw/zinc/65/15/21/169651521.db2.gz ZQJNKBPWMAHUQP-UHFFFAOYSA-N 0 0 291.445 3.502 50 0 CHAARN Cc1cccc(CCNc2ncnc3ccccc32)c1 ZINC000051670561 184566516 /nfs/dbraw/zinc/56/65/16/184566516.db2.gz DIMYRJQLORMCOD-UHFFFAOYSA-N 0 0 263.344 3.593 50 0 CHAARN Cc1cccc(NC(=O)NC(C)C)c1NC(=O)C(C)(C)C ZINC000066088682 184570664 /nfs/dbraw/zinc/57/06/64/184570664.db2.gz QNOSBDQISOZUKC-UHFFFAOYSA-N 0 0 291.395 3.510 50 0 CHAARN O=C(Nc1cccnc1)c1cc(-c2cccc(Cl)c2)no1 ZINC000066089163 184570711 /nfs/dbraw/zinc/57/07/11/184570711.db2.gz CNVMRAMQHKDESQ-UHFFFAOYSA-N 0 0 299.717 3.642 50 0 CHAARN C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000000508343 169658992 /nfs/dbraw/zinc/65/89/92/169658992.db2.gz OYQIBSICTDXPLI-SNVBAGLBSA-N 0 0 299.761 3.707 50 0 CHAARN Cc1c2c(c(C)n1Cc1ccccc1)c(C)nnc2C ZINC000000510069 169659140 /nfs/dbraw/zinc/65/91/40/169659140.db2.gz KZLKQWYHODCVGA-UHFFFAOYSA-N 0 0 265.360 3.713 50 0 CHAARN CSc1ncccc1C(=O)Nc1ccccc1Cl ZINC000000515986 169660178 /nfs/dbraw/zinc/66/01/78/169660178.db2.gz ZBQSRHAHNNKWGB-UHFFFAOYSA-N 0 0 278.764 3.709 50 0 CHAARN O=c1c2ccccc2nc2n1CCC2=C1CCCCC1 ZINC000000517631 169660631 /nfs/dbraw/zinc/66/06/31/169660631.db2.gz DBTRBIZMLSYADS-UHFFFAOYSA-N 0 0 266.344 3.518 50 0 biogenic CHAARN CC1=C[C@H](C)[C@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]1[C@@H]2C ZINC000000519473 169660999 /nfs/dbraw/zinc/66/09/99/169660999.db2.gz VRAQFSFGVZLHAG-CGAYHFDWSA-N 0 0 286.371 3.951 50 0 biogenic CHAARN COc1ccc(OC)c2nc3c(cc12)CCCCC3 ZINC000004073013 532996181 /nfs/dbraw/zinc/99/61/81/532996181.db2.gz MNOPJFWUWALKCM-UHFFFAOYSA-N 0 0 257.333 3.521 50 0 CHAARN C[C@@H](NC(=O)Cc1cccnc1)c1ccc2ccccc2c1 ZINC000171916956 533096551 /nfs/dbraw/zinc/09/65/51/533096551.db2.gz CHNAYVFDYAODDE-CQSZACIVSA-N 0 0 290.366 3.655 50 0 CHAARN C[C@@H](OC(=O)c1ncoc1[C@@H]1CCCO1)C1CCCCC1 ZINC000096407074 256768440 /nfs/dbraw/zinc/76/84/40/256768440.db2.gz AEMSRZPNHQPWKY-YPMHNXCESA-N 0 0 293.363 3.652 50 0 CHAARN Clc1ccc2sc(/C=C\c3csnn3)nc2c1 ZINC000096307323 256773000 /nfs/dbraw/zinc/77/30/00/256773000.db2.gz CWMOGVCPFCONRE-RQOWECAXSA-N 0 0 279.777 3.972 50 0 CHAARN CC(C)c1ncc(NC(=O)c2ccccc2Cl)cn1 ZINC000336078261 256848274 /nfs/dbraw/zinc/84/82/74/256848274.db2.gz PHHFDBYUUMKURX-UHFFFAOYSA-N 0 0 275.739 3.506 50 0 CHAARN C[C@@H]1CN(C(=O)C[C@H]2C=CCC2)[C@@H]1c1ccccc1 ZINC000173958532 256858090 /nfs/dbraw/zinc/85/80/90/256858090.db2.gz WHQRAZCVVAKPGF-KEYYUXOJSA-N 0 0 255.361 3.562 50 0 CHAARN CCc1ccc2nc(NC(=O)c3cccnc3)sc2c1 ZINC000022024616 256874487 /nfs/dbraw/zinc/87/44/87/256874487.db2.gz HRHMNVXAZHZOPV-UHFFFAOYSA-N 0 0 283.356 3.506 50 0 CHAARN Cc1sc(Cl)nc1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000096232031 256887818 /nfs/dbraw/zinc/88/78/18/256887818.db2.gz SANTUHKGTWHLJY-UHFFFAOYSA-N 0 0 291.763 3.839 50 0 CHAARN CC(C)NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344105 177644148 /nfs/dbraw/zinc/64/41/48/177644148.db2.gz HNMBGILZWOTGHR-VXGBXAGGSA-N 0 0 272.175 3.622 50 0 CHAARN CC[C@@H](Oc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000000617447 169676260 /nfs/dbraw/zinc/67/62/60/169676260.db2.gz SJABKTFQWQYFLI-QGZVFWFLSA-N 0 0 283.371 3.503 50 0 CHAARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1 ZINC000001017029 169686049 /nfs/dbraw/zinc/68/60/49/169686049.db2.gz WTGMYDSRFATLGF-GXFFZTMASA-N 0 0 296.208 3.758 50 0 CHAARN C[C@@H]1CCc2sc3[nH]c(-c4ccccc4)nc(=O)c3c2C1 ZINC000001021649 169686213 /nfs/dbraw/zinc/68/62/13/169686213.db2.gz DIBARRHRXMPWSM-SNVBAGLBSA-N 0 0 296.395 3.776 50 0 CHAARN Brc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000001206398 169691304 /nfs/dbraw/zinc/69/13/04/169691304.db2.gz JFBUDBFZVIREJG-UHFFFAOYSA-N 0 0 291.104 3.759 50 0 CHAARN CC(=O)Nc1ccc(C(=O)Nc2c(C)cccc2C)cc1 ZINC000000967839 169683468 /nfs/dbraw/zinc/68/34/68/169683468.db2.gz WWMCCCSLQVOFKE-UHFFFAOYSA-N 0 0 282.343 3.514 50 0 in-vitro CHAARN CC(=O)Nc1ccc(SCc2c(C)noc2C)cc1 ZINC000001383207 169696943 /nfs/dbraw/zinc/69/69/43/169696943.db2.gz JKMJAMSOMNXGDM-UHFFFAOYSA-N 0 0 276.361 3.542 50 0 CHAARN OCc1cccc(-c2cccc(C(F)(F)F)c2)c1 ZINC000001257797 169692794 /nfs/dbraw/zinc/69/27/94/169692794.db2.gz IROMTEIILLDKHZ-UHFFFAOYSA-N 0 0 252.235 3.865 50 0 CHAARN C[C@@H](CC(=O)O[C@@H](C)c1nc2ccccc2[nH]1)C1CC1 ZINC000095392631 184963904 /nfs/dbraw/zinc/96/39/04/184963904.db2.gz YERIVVDVYXTFMF-QWRGUYRKSA-N 0 0 272.348 3.603 50 0 CHAARN CC(C)c1noc(-c2cc(-c3ccccc3)on2)n1 ZINC000095389095 184964301 /nfs/dbraw/zinc/96/43/01/184964301.db2.gz JOZDFPKPBGQFKE-UHFFFAOYSA-N 0 0 255.277 3.515 50 0 CHAARN FC(F)(F)c1cccc(CNc2nc(C3CC3)no2)c1 ZINC000095398737 184967227 /nfs/dbraw/zinc/96/72/27/184967227.db2.gz JNCNXUGYDOJHTO-UHFFFAOYSA-N 0 0 283.253 3.578 50 0 CHAARN CC[C@H]1CC[C@@H](C)N1C(=O)CSc1ccccc1 ZINC000095458852 184991962 /nfs/dbraw/zinc/99/19/62/184991962.db2.gz PAVMLDKTNJEGCU-OLZOCXBDSA-N 0 0 263.406 3.568 50 0 CHAARN Cn1cc([C@H](OC(=O)C2CC2)C(F)(F)F)c2ccccc21 ZINC000001399173 169701512 /nfs/dbraw/zinc/70/15/12/169701512.db2.gz IDMIFTNWHWKWTP-ZDUSSCGKSA-N 0 0 297.276 3.735 50 0 CHAARN C[C@@H](NC(=O)c1ccc(F)cc1Cl)C(C)(C)C ZINC000016989704 533289812 /nfs/dbraw/zinc/28/98/12/533289812.db2.gz ZXAFCSMULBGESD-MRVPVSSYSA-N 0 0 257.736 3.644 50 0 CHAARN C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccccc1F ZINC000000483446 134528248 /nfs/dbraw/zinc/52/82/48/134528248.db2.gz XTESOSQZUQYBLP-LLVKDONJSA-N 0 0 287.309 3.946 50 0 CHAARN Cc1sc2ncnc(N3CCCC[C@H]3C)c2c1C ZINC000003568809 134644019 /nfs/dbraw/zinc/64/40/19/134644019.db2.gz BLGKFXIJYTUSTC-SECBINFHSA-N 0 0 261.394 3.687 50 0 CHAARN CC1CCN(c2csc3ccc(F)cc3c2=O)CC1 ZINC000005202668 134654923 /nfs/dbraw/zinc/65/49/23/134654923.db2.gz JLWCGDUGEUDHQJ-UHFFFAOYSA-N 0 0 277.364 3.637 50 0 CHAARN Cc1ccc2c(c1)N(C(=O)Nc1ccc(F)cc1)CCO2 ZINC000006842615 134663630 /nfs/dbraw/zinc/66/36/30/134663630.db2.gz TYUIAFLUTHEMMB-UHFFFAOYSA-N 0 0 286.306 3.565 50 0 CHAARN C[C@@H]1CCN(C(=O)c2ccc(Cl)nc2)c2ccccc21 ZINC000031785334 134758900 /nfs/dbraw/zinc/75/89/00/134758900.db2.gz LGUVNSNEOSKUFW-LLVKDONJSA-N 0 0 286.762 3.889 50 0 CHAARN Cc1ncccc1C(=O)N1C[C@@H](C)Sc2ccccc21 ZINC000088222867 135052998 /nfs/dbraw/zinc/05/29/98/135052998.db2.gz ABOPEQCEPOWSHN-LLVKDONJSA-N 0 0 284.384 3.531 50 0 CHAARN CCCC[C@H](CC)COC(=O)c1ccccc1O ZINC000001677818 169740011 /nfs/dbraw/zinc/74/00/11/169740011.db2.gz FMRHJJZUHUTGKE-LBPRGKRZSA-N 0 0 250.338 3.765 50 0 in-man CHAARN O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1 ZINC000001677825 169740016 /nfs/dbraw/zinc/74/00/16/169740016.db2.gz NQBWNECTZUOWID-MZXMXVKLSA-N 0 0 264.324 3.956 50 0 biogenic,in-vitro CHAARN CCCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000001807967 169758225 /nfs/dbraw/zinc/75/82/25/169758225.db2.gz WCDLCAWUEYLASE-UHFFFAOYSA-N 0 0 297.354 3.814 50 0 CHAARN BrC1(Br)C[C@H]1c1ccccc1 ZINC000002041815 169771267 /nfs/dbraw/zinc/77/12/67/169771267.db2.gz RRSAMRMQHHYSGN-QMMMGPOBSA-N 0 0 275.971 3.660 50 0 CHAARN CCCSc1nnc(NC(=O)Nc2ccccc2)s1 ZINC000002347353 169787079 /nfs/dbraw/zinc/78/70/79/169787079.db2.gz PWTNCEOQVFAWLB-UHFFFAOYSA-N 0 0 294.405 3.684 50 0 CHAARN CCCOC(=O)c1c(N)scc1-c1ccccc1 ZINC000002387653 169790187 /nfs/dbraw/zinc/79/01/87/169790187.db2.gz LKXQNNNAZINRAA-UHFFFAOYSA-N 0 0 261.346 3.564 50 0 CHAARN Cc1ccc(C(=O)NCCc2c[nH]c3ccc(C)cc23)cc1 ZINC000002430442 169791625 /nfs/dbraw/zinc/79/16/25/169791625.db2.gz INYLUNHOQMRDIO-UHFFFAOYSA-N 0 0 292.382 3.757 50 0 biogenic CHAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cc(-c2cccs2)on1 ZINC000002497862 169796057 /nfs/dbraw/zinc/79/60/57/169796057.db2.gz LTRBIPQJEBMNOH-QWRGUYRKSA-N 0 0 290.388 3.806 50 0 CHAARN O=C(NC1CCCC1)C1(c2ccccc2)CCCC1 ZINC000002512739 169797861 /nfs/dbraw/zinc/79/78/61/169797861.db2.gz LVZVHAISFOZZBK-UHFFFAOYSA-N 0 0 257.377 3.557 50 0 CHAARN O=C(c1ccc(Br)cc1F)C1CCCC1 ZINC000002514378 169798578 /nfs/dbraw/zinc/79/85/78/169798578.db2.gz KTADRIGCYYEHGL-UHFFFAOYSA-N 0 0 271.129 3.961 50 0 CHAARN COc1ccccc1CCC(=O)c1cccc(C)c1 ZINC000002516442 169799441 /nfs/dbraw/zinc/79/94/41/169799441.db2.gz WFBZQJRKZFHGAM-UHFFFAOYSA-N 0 0 254.329 3.819 50 0 CHAARN CC1(C)COC(CCCC(=O)c2ccccc2F)OC1 ZINC000002518053 169800215 /nfs/dbraw/zinc/80/02/15/169800215.db2.gz XEEUXVRRXFMXDX-UHFFFAOYSA-N 0 0 280.339 3.578 50 0 CHAARN Cc1ccc(C(=O)Nc2nc3ccccc3s2)cc1 ZINC000002568850 169810642 /nfs/dbraw/zinc/81/06/42/169810642.db2.gz WAWUISYKAPVPKW-UHFFFAOYSA-N 0 0 268.341 3.857 50 0 CHAARN O=C(/C=C/c1ccco1)N1CCC(Cc2ccccc2)CC1 ZINC000002647353 169817946 /nfs/dbraw/zinc/81/79/46/169817946.db2.gz QHQBPFJZQUVMQE-CMDGGOBGSA-N 0 0 295.382 3.774 50 0 CHAARN Cc1ccc(OCCCn2cnc3ccccc32)cc1 ZINC000002713267 169821829 /nfs/dbraw/zinc/82/18/29/169821829.db2.gz UFYHIOBVHLNFCM-UHFFFAOYSA-N 0 0 266.344 3.814 50 0 CHAARN O=C(Nc1ccccc1)c1ccc(Br)s1 ZINC000002762723 169826543 /nfs/dbraw/zinc/82/65/43/169826543.db2.gz SPONMJWSGKTNLM-UHFFFAOYSA-N 0 0 282.162 3.763 50 0 CHAARN COc1cccc([C@H]2C[C@H](C(F)F)n3nc(C)cc3N2)c1 ZINC000002782788 169830440 /nfs/dbraw/zinc/83/04/40/169830440.db2.gz BZSSGLDTIRUCRE-CHWSQXEVSA-N 0 0 293.317 3.563 50 0 CHAARN Cc1ccc([C@H]2C[C@@H](C(F)F)n3nccc3N2)cc1 ZINC000002784688 169830834 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/nfs/dbraw/zinc/88/62/08/174886208.db2.gz GWSVIMAJEIXZIK-UHFFFAOYSA-N 0 0 268.426 3.713 50 0 CHAARN CC(=O)c1cccc(NC(=O)Nc2cccc(F)c2C)c1 ZINC000043322941 175006380 /nfs/dbraw/zinc/00/63/80/175006380.db2.gz NQNYBEAXQIFWLI-UHFFFAOYSA-N 0 0 286.306 3.981 50 0 CHAARN Nc1ccc(Oc2cccc(F)c2)c(Br)c1 ZINC000043597598 175077292 /nfs/dbraw/zinc/07/72/92/175077292.db2.gz FBFGGBXVGHNBEL-UHFFFAOYSA-N 0 0 282.112 3.963 50 0 CHAARN O=C(NCc1cccc(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000043746179 175105104 /nfs/dbraw/zinc/10/51/04/175105104.db2.gz XKPQOSADPPUHNZ-UHFFFAOYSA-N 0 0 297.251 3.775 50 0 CHAARN FC(F)(F)c1cc2[nH]ccc2cc1Br ZINC000043828016 175114950 /nfs/dbraw/zinc/11/49/50/175114950.db2.gz BANFNSUAJPLWMG-UHFFFAOYSA-N 0 0 264.044 3.949 50 0 CHAARN Cc1nc(-c2ccc(-c3ccccc3)nc2Cl)no1 ZINC000043828106 175115158 /nfs/dbraw/zinc/11/51/58/175115158.db2.gz HNFXGBWWRJNJRC-UHFFFAOYSA-N 0 0 271.707 3.760 50 0 CHAARN C[C@@H](Cc1ccco1)NC(=O)Nc1ccccc1Cl ZINC000044444263 175175994 /nfs/dbraw/zinc/17/59/94/175175994.db2.gz 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CHAARN O=C(c1ccc(Cl)nc1)c1ccccc1Cl ZINC000045038714 175294904 /nfs/dbraw/zinc/29/49/04/175294904.db2.gz SQSYIAYULMJWAD-UHFFFAOYSA-N 0 0 252.100 3.619 50 0 CHAARN Cc1[nH]c2ccccc2c1CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000045264954 175338501 /nfs/dbraw/zinc/33/85/01/175338501.db2.gz QWQVRJSHHSZVRN-CHWSQXEVSA-N 0 0 284.403 3.523 50 0 CHAARN CC[C@H](NC(=O)N1CCSCC1)c1ccc(Cl)cc1 ZINC000045404727 175376805 /nfs/dbraw/zinc/37/68/05/175376805.db2.gz RRCGFRBJWKBRQM-ZDUSSCGKSA-N 0 0 298.839 3.550 50 0 CHAARN CCc1ccc(CNC(=O)Nc2cccc(C)c2)s1 ZINC000045949562 175388347 /nfs/dbraw/zinc/38/83/47/175388347.db2.gz XKYVCHKLKZYPTA-UHFFFAOYSA-N 0 0 274.389 3.941 50 0 CHAARN CCc1ccc(CNC(=O)Nc2cccc(OC)c2)s1 ZINC000045949935 175388389 /nfs/dbraw/zinc/38/83/89/175388389.db2.gz JXKSUVFJZWAIJM-UHFFFAOYSA-N 0 0 290.388 3.641 50 0 CHAARN O=C(C[C@H]1CCCO1)N[C@@H](c1cccs1)C1CCCC1 ZINC000047110379 175404334 /nfs/dbraw/zinc/40/43/34/175404334.db2.gz SFXUUZPDRXCBQE-CZUORRHYSA-N 0 0 293.432 3.665 50 0 CHAARN CC(C)Oc1ccccc1NC(=O)NCc1cccs1 ZINC000048193744 175421084 /nfs/dbraw/zinc/42/10/84/175421084.db2.gz ZKGPROZNGBAAAK-UHFFFAOYSA-N 0 0 290.388 3.857 50 0 CHAARN CC[C@H](C)[C@@H](C)NC(=O)c1cc(F)c(F)cc1Cl ZINC000048331651 175427593 /nfs/dbraw/zinc/42/75/93/175427593.db2.gz VCXUSMYUAMIPIS-JGVFFNPUSA-N 0 0 275.726 3.783 50 0 CHAARN CCCCN(CC)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000048342230 175429183 /nfs/dbraw/zinc/42/91/83/175429183.db2.gz CVQNDCUSRGYVKT-UHFFFAOYSA-N 0 0 294.395 3.666 50 0 CHAARN Cc1cc(NC(=O)CS[C@H](C)c2ccccc2F)no1 ZINC000048681412 175444046 /nfs/dbraw/zinc/44/40/46/175444046.db2.gz OCAPVGJGJASCHP-SNVBAGLBSA-N 0 0 294.351 3.555 50 0 CHAARN CCC(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000049250628 175470436 /nfs/dbraw/zinc/47/04/36/175470436.db2.gz QPGULTWZFJRZOW-UHFFFAOYSA-N 0 0 294.807 3.798 50 0 CHAARN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(C)C ZINC000053424719 175548783 /nfs/dbraw/zinc/54/87/83/175548783.db2.gz IBAXZQAYDVDREK-NSHDSACASA-N 0 0 288.416 3.952 50 0 CHAARN CC(C)(C)N1COc2c(cc(Cl)c3cccnc32)C1 ZINC000054387973 175559276 /nfs/dbraw/zinc/55/92/76/175559276.db2.gz HYHLWKUXPPVRPJ-UHFFFAOYSA-N 0 0 276.767 3.839 50 0 CHAARN Cc1cc(C)cc(C2(C(=O)N[C@@H](C)c3ccncc3)CC2)c1 ZINC000054984761 175566090 /nfs/dbraw/zinc/56/60/90/175566090.db2.gz ADHWUNNEKVMCRA-HNNXBMFYSA-N 0 0 294.398 3.607 50 0 CHAARN C/C(=C/C(=O)N1CCC[C@H]1c1cc(C)on1)c1ccccc1 ZINC000055177823 175573092 /nfs/dbraw/zinc/57/30/92/175573092.db2.gz PIQIANOJMJYJOV-MOJYJUKOSA-N 0 0 296.370 3.750 50 0 CHAARN CC(C)C[C@@H](C)N(C)C(=O)N[C@H](C)Cc1ccsc1 ZINC000057855992 175602709 /nfs/dbraw/zinc/60/27/09/175602709.db2.gz NFHPWFLPDXWPQL-CHWSQXEVSA-N 0 0 282.453 3.755 50 0 CHAARN Cc1occc1C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000058134601 175607962 /nfs/dbraw/zinc/60/79/62/175607962.db2.gz KUMSPQGRIGQPAZ-UHFFFAOYSA-N 0 0 278.739 3.560 50 0 CHAARN CCC[C@@H](C)N(C)C(=O)Nc1cc(C)ccc1F ZINC000058355977 175620541 /nfs/dbraw/zinc/62/05/41/175620541.db2.gz KLZWBKFJQOMQDB-LLVKDONJSA-N 0 0 252.333 3.786 50 0 CHAARN 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/nfs/dbraw/zinc/01/84/00/567018400.db2.gz WOSQOAVFJZQPBI-MRVPVSSYSA-N 0 0 281.768 3.679 50 0 CHAARN CCC(C)(C)C(=O)Nc1ccc(SC)cc1OC ZINC000192974190 567019083 /nfs/dbraw/zinc/01/90/83/567019083.db2.gz SSGDOTKUXMRJEA-UHFFFAOYSA-N 0 0 267.394 3.792 50 0 CHAARN C[C@@H](NC(=O)Nc1ccccc1Cl)c1cccnc1 ZINC000013744346 567020834 /nfs/dbraw/zinc/02/08/34/567020834.db2.gz XUNWDFZBGJEOJV-SNVBAGLBSA-N 0 0 275.739 3.618 50 0 CHAARN CC[C@@H](C)NC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000013746444 567020952 /nfs/dbraw/zinc/02/09/52/567020952.db2.gz UIVNQZUVRUOYMS-ZWNOBZJWSA-N 0 0 268.788 3.889 50 0 CHAARN CC[C@H](C)NC(=O)NCc1ccc(Cl)cc1Cl ZINC000013746296 567021327 /nfs/dbraw/zinc/02/13/27/567021327.db2.gz KPSNPNRRBUDPLD-QMMMGPOBSA-N 0 0 275.179 3.591 50 0 CHAARN CC(C)c1cc(C(=O)NCc2ccco2)c2ccccc2n1 ZINC000014634191 567023672 /nfs/dbraw/zinc/02/36/72/567023672.db2.gz JYEOALVZUGTDNS-UHFFFAOYSA-N 0 0 294.354 3.881 50 0 CHAARN FC(F)(F)CCCCOc1nnc(-c2ccccc2)o1 ZINC000089853109 567026880 /nfs/dbraw/zinc/02/68/80/567026880.db2.gz ISUIXONZVFPIMA-UHFFFAOYSA-N 0 0 286.253 3.848 50 0 CHAARN c1nc(-c2cccc(NC[C@H]3C[C@@H]3c3ccccc3)c2)n[nH]1 ZINC000089828038 567026916 /nfs/dbraw/zinc/02/69/16/567026916.db2.gz JYWRFNAJEBVZNX-NVXWUHKLSA-N 0 0 290.370 3.687 50 0 CHAARN c1nc(-c2cccc(NC[C@H]3C[C@H]3c3ccccc3)c2)n[nH]1 ZINC000089828037 567027219 /nfs/dbraw/zinc/02/72/19/567027219.db2.gz JYWRFNAJEBVZNX-WBVHZDCISA-N 0 0 290.370 3.687 50 0 CHAARN Cc1ccc2cc(-c3nc(C4CC4)no3)c(C)nc2c1 ZINC000084210021 567029915 /nfs/dbraw/zinc/02/99/15/567029915.db2.gz GELMQQUVMCJBHA-UHFFFAOYSA-N 0 0 265.316 3.779 50 0 CHAARN Cc1ccccc1CNC(=O)c1ccc(F)cc1Cl ZINC000018833960 567032229 /nfs/dbraw/zinc/03/22/29/567032229.db2.gz HLOZYLRNLDPKDG-UHFFFAOYSA-N 0 0 277.726 3.718 50 0 CHAARN Cc1ccc(-n2nnnc2-c2ccc(Cl)cc2)cc1C ZINC000017143603 567032439 /nfs/dbraw/zinc/03/24/39/567032439.db2.gz YXRPEBQIVCLFKR-UHFFFAOYSA-N 0 0 284.750 3.600 50 0 CHAARN O=CNc1ccc(/C=C\c2ccnc3ccccc23)cc1 ZINC000017062629 567033442 /nfs/dbraw/zinc/03/34/42/567033442.db2.gz DQJCBLHSXHWKLY-YVMONPNESA-N 0 0 274.323 3.974 50 0 CHAARN CCO[C@@H](C)c1noc(C2(c3ccccc3)CCC2)n1 ZINC000089984960 567033654 /nfs/dbraw/zinc/03/36/54/567033654.db2.gz JDKUGHAGEUJWTG-LBPRGKRZSA-N 0 0 272.348 3.637 50 0 CHAARN COc1ccccc1Nc1cc(-c2ccccc2)ncn1 ZINC000001286891 567035777 /nfs/dbraw/zinc/03/57/77/567035777.db2.gz TYKSGXHFDRXMAP-UHFFFAOYSA-N 0 0 277.327 3.896 50 0 CHAARN CC[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1 ZINC000002877530 567037205 /nfs/dbraw/zinc/03/72/05/567037205.db2.gz HUECLCCOILERFD-GOSISDBHSA-N 0 0 281.399 3.757 50 0 CHAARN C[C@H]1OCC[C@H]1NC(=O)N(c1ccccc1)c1ccccc1 ZINC000096007781 567040116 /nfs/dbraw/zinc/04/01/16/567040116.db2.gz MVHGFORHZBXIJX-RHSMWYFYSA-N 0 0 296.370 3.712 50 0 CHAARN CCO[C@@H]1C[C@@H](N(C)C(=O)C2CCCCC2)C12CCCC2 ZINC000170636782 567040872 /nfs/dbraw/zinc/04/08/72/567040872.db2.gz FLIMWETZOOGOLN-HZPDHXFCSA-N 0 0 293.451 3.763 50 0 CHAARN CCO[C@H]1C[C@@H](N(C)C(=O)OC(C)(C)C)C12CCCC2 ZINC000170637328 567042347 /nfs/dbraw/zinc/04/23/47/567042347.db2.gz GGQRZRHTSVASLX-OLZOCXBDSA-N 0 0 283.412 3.591 50 0 CHAARN CC(C)Oc1ccc([C@@H]2Nc3ccccc3C(=O)N2C)cc1 ZINC000054426344 567042553 /nfs/dbraw/zinc/04/25/53/567042553.db2.gz GXSMCWZPRQXMDS-QGZVFWFLSA-N 0 0 296.370 3.670 50 0 CHAARN CCc1ccccc1NC(=O)CCc1ccc(OC)cc1 ZINC000003557619 567045040 /nfs/dbraw/zinc/04/50/40/567045040.db2.gz NOTFFVPUIHTECB-UHFFFAOYSA-N 0 0 283.371 3.829 50 0 CHAARN CC1=CC[C@@H]2C(=O)N3CCc4c5ccccc5[nH]c4[C@H]3[C@@H]2C1 ZINC000002132617 567053158 /nfs/dbraw/zinc/05/31/58/567053158.db2.gz WWIMATJEWPNNPT-HDMKZQKVSA-N 0 0 292.382 3.580 50 0 biogenic CHAARN O=C(Nc1ccncc1)Nc1cccc2ccccc21 ZINC000000390020 567054070 /nfs/dbraw/zinc/05/40/70/567054070.db2.gz QJMSVMKEMICIJZ-UHFFFAOYSA-N 0 0 263.300 3.879 50 0 CHAARN Cc1ccc(O)c(C(=O)CCC(=O)c2cc(C)ccc2O)c1 ZINC000000389952 567054750 /nfs/dbraw/zinc/05/47/50/567054750.db2.gz IXLWDOWATMXBRE-UHFFFAOYSA-N 0 0 298.338 3.560 50 0 CHAARN CCC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000002519837 567055845 /nfs/dbraw/zinc/05/58/45/567055845.db2.gz HCILDZHGAKQADS-UHFFFAOYSA-N 0 0 267.328 3.840 50 0 CHAARN CC(=O)c1cc2ccc1CCc1ccc(cc1)CC2 ZINC000003123047 567056100 /nfs/dbraw/zinc/05/61/00/567056100.db2.gz BMIQCMMQLWBYIU-UHFFFAOYSA-N 0 0 250.341 3.773 50 0 CHAARN C[C@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000002034950 567056429 /nfs/dbraw/zinc/05/64/29/567056429.db2.gz LFJDBIDXSCFLKB-JTQLQIEISA-N 0 0 286.297 3.969 50 0 CHAARN Cc1cccc2c1[C@@H]1c3ccccc3C(=O)C[C@H]1CC2=O ZINC000000402503 567056888 /nfs/dbraw/zinc/05/68/88/567056888.db2.gz FTPLLENJWAQCDR-BUXKBTBVSA-N 0 0 276.335 3.916 50 0 CHAARN CC(C)C[C@@H]1CCCCCN1C(=O)c1cc(C2CC2)no1 ZINC000252485378 567057641 /nfs/dbraw/zinc/05/76/41/567057641.db2.gz GSTWGJJPKCPLJT-AWEZNQCLSA-N 0 0 290.407 3.983 50 0 CHAARN CCOc1ccccc1-c1nc(-c2cnn(C)c2)cs1 ZINC000153519300 567060004 /nfs/dbraw/zinc/06/00/04/567060004.db2.gz PQEMRXBPCVAXFO-UHFFFAOYSA-N 0 0 285.372 3.609 50 0 CHAARN Clc1ccc(COc2ccncc2)c2ncccc12 ZINC000252500923 567060446 /nfs/dbraw/zinc/06/04/46/567060446.db2.gz TZJXVCLMCDATIB-UHFFFAOYSA-N 0 0 270.719 3.862 50 0 CHAARN Fc1cccc2c(Nc3ccc4c(c3)COC4)ncnc12 ZINC000252501039 567061050 /nfs/dbraw/zinc/06/10/50/567061050.db2.gz UBWQETKDFDEHNF-UHFFFAOYSA-N 0 0 281.290 3.543 50 0 CHAARN CCN(C(=O)c1ccoc1)c1ccc(C(F)(F)F)cc1 ZINC000252501709 567061227 /nfs/dbraw/zinc/06/12/27/567061227.db2.gz UIGCRGBRKZPQAE-UHFFFAOYSA-N 0 0 283.249 3.965 50 0 CHAARN CCC1CCC(NC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000170646716 567062651 /nfs/dbraw/zinc/06/26/51/567062651.db2.gz UUZLPBRXBPIBDW-DGKWVBSXSA-N 0 0 266.429 3.643 50 0 CHAARN C[S@@](=O)Cc1cc(NCc2cccs2)ccc1Cl ZINC000195559035 567070029 /nfs/dbraw/zinc/07/00/29/567070029.db2.gz WZYJBGPQBOLKRA-GOSISDBHSA-N 0 0 299.848 3.892 50 0 CHAARN C[C@@H]1CCC[C@@H]1Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000195561879 567070082 /nfs/dbraw/zinc/07/00/82/567070082.db2.gz UEOISBBFTDMTSI-FWVNDXEPSA-N 0 0 285.840 3.819 50 0 CHAARN CCCC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 ZINC000003378442 567074772 /nfs/dbraw/zinc/07/47/72/567074772.db2.gz USHWDCWZJWPMEZ-UHFFFAOYSA-N 0 0 290.388 3.866 50 0 CHAARN O=S(=O)(c1ccccc1)n1cc(Cl)c2ccccc21 ZINC000032301930 567088019 /nfs/dbraw/zinc/08/80/19/567088019.db2.gz UPPRTLFSJHQURM-UHFFFAOYSA-N 0 0 291.759 3.532 50 0 CHAARN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CCC2=O ZINC000009231975 567088787 /nfs/dbraw/zinc/08/87/87/567088787.db2.gz QGXBDMJGAMFCBF-IWOANEAGSA-N 0 0 290.447 3.959 50 0 biogenic,in-vitro CHAARN Fc1nn([C@H]2CCCCO2)c2ccc(Br)cc12 ZINC000114546257 567092648 /nfs/dbraw/zinc/09/26/48/567092648.db2.gz GCWXLPSTFDLJSF-LLVKDONJSA-N 0 0 299.143 3.637 50 0 CHAARN O=c1cc(-c2nc(-c3ccsc3)no2)c2ccccc2[nH]1 ZINC000253430716 567097770 /nfs/dbraw/zinc/09/77/70/567097770.db2.gz NJPXBNGMYAZRQP-UHFFFAOYSA-N 0 0 295.323 3.719 50 0 CHAARN CCCC[C@@]1(CC)NC(=S)N(c2ccc(Cl)cc2)N1 ZINC000002318966 567099257 /nfs/dbraw/zinc/09/92/57/567099257.db2.gz UVTBNDSWARUNGE-AWEZNQCLSA-N 0 0 297.855 3.836 50 0 CHAARN Cc1ccccc1C(=O)Cn1cc(-c2ccccc2)cn1 ZINC000054961593 567100039 /nfs/dbraw/zinc/10/00/39/567100039.db2.gz HUJIJQHJTZRGGT-UHFFFAOYSA-N 0 0 276.339 3.741 50 0 CHAARN Cc1cc(COC(=O)c2occc2-c2ccccc2)no1 ZINC000012820242 567117277 /nfs/dbraw/zinc/11/72/77/567117277.db2.gz PQCMQFJILIRHAJ-UHFFFAOYSA-N 0 0 283.283 3.600 50 0 CHAARN Cc1cncc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c1 ZINC000079321925 567123619 /nfs/dbraw/zinc/12/36/19/567123619.db2.gz CTSRQNBMUPWTOX-LBPRGKRZSA-N 0 0 280.327 3.627 50 0 CHAARN CC(C)CC(=O)NCc1ccc(-c2ccoc2)cc1 ZINC000390831204 567125180 /nfs/dbraw/zinc/12/51/80/567125180.db2.gz QLDGWSDWLKRLAR-UHFFFAOYSA-N 0 0 257.333 3.609 50 0 CHAARN CCCNC(=O)N[C@@H](c1ccsc1)c1cccs1 ZINC000390826907 567126189 /nfs/dbraw/zinc/12/61/89/567126189.db2.gz REPZJKCVEKGFCC-LBPRGKRZSA-N 0 0 280.418 3.608 50 0 CHAARN CCc1oc(C(=O)N([C@@H](C)c2cccnc2)C2CC2)cc1C ZINC000095415111 567128046 /nfs/dbraw/zinc/12/80/46/567128046.db2.gz MAWIQVNOLSSXHP-ZDUSSCGKSA-N 0 0 298.386 3.911 50 0 CHAARN CC1(C)CCN(C(=O)CCCc2cccs2)CCS1 ZINC000279027507 567128297 /nfs/dbraw/zinc/12/82/97/567128297.db2.gz AFEAAAQZAJZUKM-UHFFFAOYSA-N 0 0 297.489 3.815 50 0 CHAARN C[C@@H](C1CC1)N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000095348941 567128461 /nfs/dbraw/zinc/12/84/61/567128461.db2.gz YZJNPSNWVIDGJT-LBPRGKRZSA-N 0 0 296.414 3.917 50 0 CHAARN CCOCc1cccc(NCc2cnn(C(C)(C)C)c2)c1 ZINC000095428998 567131874 /nfs/dbraw/zinc/13/18/74/567131874.db2.gz RZUGWOZDCICNOW-UHFFFAOYSA-N 0 0 287.407 3.787 50 0 CHAARN Cc1csc(CNc2ccn([C@@H](C)c3ccccc3)n2)n1 ZINC000095418592 567132408 /nfs/dbraw/zinc/13/24/08/567132408.db2.gz VANCHWLGWVLJRW-ZDUSSCGKSA-N 0 0 298.415 3.869 50 0 CHAARN CC[C@@H](NCc1cc(C)on1)c1cc(F)ccc1F ZINC000095420851 567132436 /nfs/dbraw/zinc/13/24/36/567132436.db2.gz NIDSUDOZCKXXFP-CQSZACIVSA-N 0 0 266.291 3.502 50 0 CHAARN Cc1nccn1CCCNc1cccc2ccccc21 ZINC000095454326 567133388 /nfs/dbraw/zinc/13/33/88/567133388.db2.gz JBPFQXYENTVGNV-UHFFFAOYSA-N 0 0 265.360 3.847 50 0 CHAARN O=C(CSc1ccccc1O)Nc1ccc2[nH]ccc2c1 ZINC000095451640 567133926 /nfs/dbraw/zinc/13/39/26/567133926.db2.gz BPCBRUWPIVDZDM-UHFFFAOYSA-N 0 0 298.367 3.604 50 0 CHAARN COc1ccc(CN(C)[C@H](C)c2cc(F)ccc2F)nc1 ZINC000095462701 567134400 /nfs/dbraw/zinc/13/44/00/567134400.db2.gz RKAATZIHUULPCQ-LLVKDONJSA-N 0 0 292.329 3.561 50 0 CHAARN COc1cccc(COc2cccc(NC(C)=O)c2C)c1 ZINC000095440544 567134668 /nfs/dbraw/zinc/13/46/68/567134668.db2.gz FBEOEECQHKBKHN-UHFFFAOYSA-N 0 0 285.343 3.541 50 0 CHAARN C[C@@H]1C[C@@H](C(=O)OCC2=CC[C@H]3C[C@@H]2C3(C)C)CCC1=O ZINC000095461508 567134721 /nfs/dbraw/zinc/13/47/21/567134721.db2.gz RLYIJPZIICZOPK-DHMWGJHJSA-N 0 0 290.403 3.527 50 0 CHAARN CC[C@H](C)OC(=O)[C@@H](c1ccccc1)N1CCCCC1 ZINC000096026432 567136062 /nfs/dbraw/zinc/13/60/62/567136062.db2.gz FYYRMJGKJDIYFC-GOEBONIOSA-N 0 0 275.392 3.555 50 0 CHAARN CC(C)[C@H]1CN(Cc2ccccc2C(F)(F)F)CCO1 ZINC000095465903 567136415 /nfs/dbraw/zinc/13/64/15/567136415.db2.gz WBVNCVZTPYDDCU-CQSZACIVSA-N 0 0 287.325 3.562 50 0 CHAARN COc1ccc(CNc2ncnc3cccc(C)c32)cc1 ZINC000080762294 567137027 /nfs/dbraw/zinc/13/70/27/567137027.db2.gz KLBPZNJLANOOBR-UHFFFAOYSA-N 0 0 279.343 3.559 50 0 CHAARN Cc1nc(C(C)C)c(C(=O)Nc2ccccc2O)s1 ZINC000096231038 567141623 /nfs/dbraw/zinc/14/16/23/567141623.db2.gz IJYUNLRGXMIKEK-UHFFFAOYSA-N 0 0 276.361 3.533 50 0 CHAARN O=C(c1c(Cl)cccc1Cl)N1CCc2cnccc21 ZINC000097084687 567144460 /nfs/dbraw/zinc/14/44/60/567144460.db2.gz QKRVBQFNGOUXRD-UHFFFAOYSA-N 0 0 293.153 3.591 50 0 CHAARN O=C(c1ccoc1)N1CCc2cc(-c3ccncc3)ccc21 ZINC000225639656 567146067 /nfs/dbraw/zinc/14/60/67/567146067.db2.gz COXLQGNMOZEKGN-UHFFFAOYSA-N 0 0 290.322 3.545 50 0 CHAARN O=[S@@](CC[C@@H]1CCCCO1)Cc1ccccc1Cl ZINC000225621510 567146524 /nfs/dbraw/zinc/14/65/24/567146524.db2.gz GHJIAMZEDRPQBR-UGSOOPFHSA-N 0 0 286.824 3.548 50 0 CHAARN O=C(CC1=CCCCC1)N1CCC[C@@H](c2nccs2)C1 ZINC000067047656 567146538 /nfs/dbraw/zinc/14/65/38/567146538.db2.gz ABKLEIKAVCRNSK-CQSZACIVSA-N 0 0 290.432 3.740 50 0 CHAARN C[C@@H]1CCc2sc(C(=O)NC3CCCCC3)cc2C1 ZINC000028085795 567146768 /nfs/dbraw/zinc/14/67/68/567146768.db2.gz JRZURHWEHUDHMQ-LLVKDONJSA-N 0 0 277.433 3.935 50 0 CHAARN COc1ccccc1[C@@H]1C[C@@H](C(F)F)n2nc(C)cc2N1 ZINC000002783766 567153375 /nfs/dbraw/zinc/15/33/75/567153375.db2.gz MNZIIUKZQPBOLD-RYUDHWBXSA-N 0 0 293.317 3.563 50 0 CHAARN Fc1ccc(-c2cc(C(F)(F)Cl)n3nccc3n2)cc1 ZINC000002756197 567153607 /nfs/dbraw/zinc/15/36/07/567153607.db2.gz HVXCFKAOIDLBJB-UHFFFAOYSA-N 0 0 297.667 3.824 50 0 CHAARN Clc1cnc(NCc2ccccn2)c(Br)c1 ZINC000162770661 567157044 /nfs/dbraw/zinc/15/70/44/567157044.db2.gz ZKNDLLJMYXMBCQ-UHFFFAOYSA-N 0 0 298.571 3.505 50 0 CHAARN Cc1ccccc1-c1nnc(SC[C@@H]2CCCCO2)o1 ZINC000057652477 567160602 /nfs/dbraw/zinc/16/06/02/567160602.db2.gz LCWUGDJXKVSQFV-LBPRGKRZSA-N 0 0 290.388 3.706 50 0 CHAARN Cc1cc2ccccn2c1C(=O)c1ccccc1F ZINC000003193683 567162511 /nfs/dbraw/zinc/16/25/11/567162511.db2.gz IPICVRYBRDGEPA-UHFFFAOYSA-N 0 0 253.276 3.618 50 0 CHAARN Cc1cc(N2CCCCCCC2)nc(-c2ccncc2)n1 ZINC000057825121 567162890 /nfs/dbraw/zinc/16/28/90/567162890.db2.gz DSWWBOUZTNTQAR-UHFFFAOYSA-N 0 0 282.391 3.618 50 0 CHAARN Clc1ccc(OCc2ccc(-c3nnco3)cc2)cc1 ZINC000003256283 567164800 /nfs/dbraw/zinc/16/48/00/567164800.db2.gz PNQCJNXTEZZDEC-UHFFFAOYSA-N 0 0 286.718 3.969 50 0 CHAARN Cc1noc2nc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000003230849 567165326 /nfs/dbraw/zinc/16/53/26/567165326.db2.gz WZLDAQBXEIOGCO-UHFFFAOYSA-N 0 0 270.132 3.569 50 0 CHAARN Cc1ccccc1NC(=O)CSC(=O)c1ccccc1 ZINC000003230361 567165702 /nfs/dbraw/zinc/16/57/02/567165702.db2.gz UJQCBPVVHUVHHN-UHFFFAOYSA-N 0 0 285.368 3.507 50 0 CHAARN Cc1ccc(C(=O)OCC(=O)c2cccc(Cl)c2)s1 ZINC000003240222 567166030 /nfs/dbraw/zinc/16/60/30/567166030.db2.gz OVWOBPDMHKPQDH-UHFFFAOYSA-N 0 0 294.759 3.750 50 0 CHAARN Cc1ccc(NC(=O)CNc2ccc(Cl)cc2)cc1 ZINC000003322041 567168801 /nfs/dbraw/zinc/16/88/01/567168801.db2.gz JYCVABRIZPNWRX-UHFFFAOYSA-N 0 0 274.751 3.699 50 0 CHAARN COc1ccccc1OCc1nc2ccccc2s1 ZINC000003279988 567168814 /nfs/dbraw/zinc/16/88/14/567168814.db2.gz BZADLXPTZDLTQM-UHFFFAOYSA-N 0 0 271.341 3.884 50 0 CHAARN CCC(=O)Nc1cccc(NC(=O)c2cc(C)ccc2C)c1 ZINC000030877863 567172808 /nfs/dbraw/zinc/17/28/08/567172808.db2.gz GIYLKORXPDARJT-UHFFFAOYSA-N 0 0 296.370 3.904 50 0 CHAARN O=C(Nc1nc2ccccc2[nH]1)c1cc2c(s1)CCCC2 ZINC000003428099 567174087 /nfs/dbraw/zinc/17/40/87/567174087.db2.gz FLRZCFKECNRFFB-UHFFFAOYSA-N 0 0 297.383 3.756 50 0 CHAARN Cc1ccc(C)c(NC(=O)CN2c3ccccc3C[C@@H]2C)c1 ZINC000003536958 567175693 /nfs/dbraw/zinc/17/56/93/567175693.db2.gz UTANRWVCMHGBCU-HNNXBMFYSA-N 0 0 294.398 3.693 50 0 CHAARN CCc1cccc(C)c1NC(=O)CN1CCc2ccccc21 ZINC000003538077 567175931 /nfs/dbraw/zinc/17/59/31/567175931.db2.gz URPDBUYXDPQBOW-UHFFFAOYSA-N 0 0 294.398 3.559 50 0 CHAARN S=C(NC1CCCCC1)N1CCSc2ccccc21 ZINC000003458950 567176402 /nfs/dbraw/zinc/17/64/02/567176402.db2.gz LPBPNHIGJCNUHS-UHFFFAOYSA-N 0 0 292.473 3.806 50 0 CHAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccccn1 ZINC000003458688 567176680 /nfs/dbraw/zinc/17/66/80/567176680.db2.gz 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CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1 ZINC000000000071 567816480 /nfs/dbraw/zinc/81/64/80/567816480.db2.gz RFRXIWQYSOIBDI-UHFFFAOYSA-N 0 0 266.296 3.932 50 0 in-man CHAARN CC[C@H](C)NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000000030235 567816500 /nfs/dbraw/zinc/81/65/00/567816500.db2.gz YGDBKTGSMJVKKZ-LBPRGKRZSA-N 0 0 281.355 3.839 50 0 CHAARN CC(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@@H]1C ZINC000000027699 567816528 /nfs/dbraw/zinc/81/65/28/567816528.db2.gz NPJVGQHTXJHUEL-GUYCJALGSA-N 0 0 280.371 3.985 50 0 CHAARN C[C@@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000000030122 567816532 /nfs/dbraw/zinc/81/65/32/567816532.db2.gz UEFLVNWAPMVZQD-SECBINFHSA-N 0 0 272.175 3.866 50 0 CHAARN COc1ccc(Cl)cc1NC(=O)Cc1ccccc1 ZINC000000029271 567816579 /nfs/dbraw/zinc/81/65/79/567816579.db2.gz XRGOCTIIXYLMGC-UHFFFAOYSA-N 0 0 275.735 3.530 50 0 biogenic CHAARN CC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000000035837 567816746 /nfs/dbraw/zinc/81/67/46/567816746.db2.gz XRDNUECBGFPZOM-UHFFFAOYSA-N 0 0 273.719 3.795 50 0 CHAARN 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C[C@H]1CCc2c(sc3nc(-c4ccco4)oc(=O)c23)C1 ZINC000000064664 567817454 /nfs/dbraw/zinc/81/74/54/567817454.db2.gz PASIGCLABYJNMB-QMMMGPOBSA-N 0 0 287.340 3.634 50 0 CHAARN Cc1cc(C)c(C(N)=O)c(Nc2cccc(Cl)c2C)n1 ZINC000000075840 567817503 /nfs/dbraw/zinc/81/75/03/567817503.db2.gz KUQYBCUSNOPCOH-UHFFFAOYSA-N 0 0 289.766 3.503 50 0 CHAARN COc1cccc(OC)c1C(=O)Nc1cccc(C)c1C ZINC000000073871 567817621 /nfs/dbraw/zinc/81/76/21/567817621.db2.gz MDAWMLSTOLDUGA-UHFFFAOYSA-N 0 0 285.343 3.573 50 0 CHAARN Cc1ccc(C)c(COc2ccc3ccc(=O)oc3c2)c1 ZINC000000082459 567817725 /nfs/dbraw/zinc/81/77/25/567817725.db2.gz VBHKLKYEHPKXCO-UHFFFAOYSA-N 0 0 280.323 3.989 50 0 biogenic CHAARN O=C(Nc1nccs1)c1cccc2c1-c1ccccc1C2 ZINC000000088140 567817737 /nfs/dbraw/zinc/81/77/37/567817737.db2.gz SIOJQTSGYASYMO-UHFFFAOYSA-N 0 0 292.363 3.967 50 0 CHAARN O=C(Nc1cccc2nsnc21)c1ccc(Cl)cc1 ZINC000000085888 567817784 /nfs/dbraw/zinc/81/77/84/567817784.db2.gz XPADTKRFGVAFCO-UHFFFAOYSA-N 0 0 289.747 3.597 50 0 CHAARN 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C[C@H](Oc1ccc(Cl)cc1)C(=O)NC1CCCCC1 ZINC000003607468 567853286 /nfs/dbraw/zinc/85/32/86/567853286.db2.gz WBUNHEJKJDADFJ-NSHDSACASA-N 0 0 281.783 3.556 50 0 CHAARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O ZINC000003861661 567854239 /nfs/dbraw/zinc/85/42/39/567854239.db2.gz QGXBDMJGAMFCBF-LUJOEAJASA-N 0 0 290.447 3.959 50 0 endogenous,in-man CHAARN COc1cccc2c1O[C@@H]1c3ccccc3O[C@H]2[C@@H]1C ZINC000004010805 567854548 /nfs/dbraw/zinc/85/45/48/567854548.db2.gz XIEVWUKEQUCDRJ-VFVAKGGASA-N 0 0 268.312 3.899 50 0 biogenic CHAARN C[C@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000004019983 567854684 /nfs/dbraw/zinc/85/46/84/567854684.db2.gz GULDKCIYDPMQQB-FNDVETGQSA-N 0 0 251.329 3.577 50 0 CHAARN OCc1ccccc1Oc1ccc(Cl)c(F)c1 ZINC000004091843 567855131 /nfs/dbraw/zinc/85/51/31/567855131.db2.gz ZWWZCLMIPFIVRF-UHFFFAOYSA-N 0 0 252.672 3.764 50 0 CHAARN CCOC(=O)c1sc(-c2ccc(C)cc2)nc1C ZINC000004090400 567855161 /nfs/dbraw/zinc/85/51/61/567855161.db2.gz UFWPFKJUNKKTKL-UHFFFAOYSA-N 0 0 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CC[C@@](O)(c1ccccc1)c1cc(Cl)ccc1N ZINC000004344188 567856899 /nfs/dbraw/zinc/85/68/99/567856899.db2.gz IAXHFKRPWPTGBO-OAHLLOKOSA-N 0 0 261.752 3.568 50 0 CHAARN Cc1cc(-c2nc(C3CCCC3)no2)nc(C(F)(F)F)n1 ZINC000186900733 567857086 /nfs/dbraw/zinc/85/70/86/567857086.db2.gz ITDAETVHUBKJHN-UHFFFAOYSA-N 0 0 298.268 3.511 50 0 CHAARN C[C@H](Oc1ccccc1)c1nc2ccccc2n1C ZINC000004385571 567857506 /nfs/dbraw/zinc/85/75/06/567857506.db2.gz DJVDMRRYWYBXAO-LBPRGKRZSA-N 0 0 252.317 3.713 50 0 CHAARN Cc1ccc2cccc(NC(=O)COc3ccccc3)c2n1 ZINC000004413189 567857547 /nfs/dbraw/zinc/85/75/47/567857547.db2.gz WHLQOBJFQGDYFK-UHFFFAOYSA-N 0 0 292.338 3.561 50 0 CHAARN CCCC[C@@H](CC)C(=O)Nc1ccc(OC)cc1OC ZINC000004506194 567857686 /nfs/dbraw/zinc/85/76/86/567857686.db2.gz KWKOZBIYVZZQIQ-GFCCVEGCSA-N 0 0 279.380 3.859 50 0 CHAARN CCCC[C@@H](CC)C(=O)Nc1nnc(CC(C)C)s1 ZINC000004553307 567858003 /nfs/dbraw/zinc/85/80/03/567858003.db2.gz BSPACXYMZIUPLI-LLVKDONJSA-N 0 0 283.441 3.892 50 0 CHAARN 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269.728 3.722 50 0 CHAARN O=C(Nc1ccncc1)c1cccnc1Oc1ccccc1 ZINC000024987665 567882763 /nfs/dbraw/zinc/88/27/63/567882763.db2.gz GKPBGDGUCSOWMF-UHFFFAOYSA-N 0 0 291.310 3.521 50 0 CHAARN COCc1cccc(NC(=O)c2ccc(C)cc2C)c1 ZINC000025334942 567882807 /nfs/dbraw/zinc/88/28/07/567882807.db2.gz ZOYFWAYBGSLBMJ-UHFFFAOYSA-N 0 0 269.344 3.702 50 0 CHAARN Cc1ccc(CN(C)C(=O)N[C@@H](C)c2ccccn2)c(C)c1 ZINC000026184729 567882865 /nfs/dbraw/zinc/88/28/65/567882865.db2.gz RUHBCOOJQHXRBD-HNNXBMFYSA-N 0 0 297.402 3.601 50 0 CHAARN c1[nH]c2ccccc2c1CCNc1cnc2ccccc2n1 ZINC000026134841 567882941 /nfs/dbraw/zinc/88/29/41/567882941.db2.gz FHAWPODNBSWVLN-UHFFFAOYSA-N 0 0 288.354 3.766 50 0 CHAARN Cc1cc(NC(=O)N[C@H](C)c2ccc(Cl)s2)no1 ZINC000027350141 567882997 /nfs/dbraw/zinc/88/29/97/567882997.db2.gz MBLNENRSFCXTPD-SSDOTTSWSA-N 0 0 285.756 3.581 50 0 CHAARN CC(C)(C)OC(=O)N1Cc2ccc(Br)cc2C1 ZINC000026894157 567883077 /nfs/dbraw/zinc/88/30/77/567883077.db2.gz GOKHEUCWNVPUSC-UHFFFAOYSA-N 0 0 298.180 3.700 50 0 CHAARN Cc1ccccc1[C@@H]([NH2+]Cc1cnn(C)c1)C(C)(C)C ZINC000080347490 567883284 /nfs/dbraw/zinc/88/32/84/567883284.db2.gz CFEFNAFKVNKKGN-MRXNPFEDSA-N 0 0 271.408 3.606 50 0 CHAARN O=C(Nc1cc(-c2ccccc2)no1)c1cccs1 ZINC000027664400 567883506 /nfs/dbraw/zinc/88/35/06/567883506.db2.gz VOFKPEJBRDUDSN-UHFFFAOYSA-N 0 0 270.313 3.655 50 0 CHAARN COc1ccc(Cn2cnc3cc(C)c(C)cc32)cc1F ZINC000032958151 567883536 /nfs/dbraw/zinc/88/35/36/567883536.db2.gz CWDMLQRURJFTJI-UHFFFAOYSA-N 0 0 284.334 3.849 50 0 CHAARN O=C(Nc1cc(-c2ccc(Cl)cc2)no1)c1ccco1 ZINC000027662952 567883580 /nfs/dbraw/zinc/88/35/80/567883580.db2.gz LSKVNLHOKRSXFR-UHFFFAOYSA-N 0 0 288.690 3.840 50 0 CHAARN Cc1ccc(NC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000028247697 567883617 /nfs/dbraw/zinc/88/36/17/567883617.db2.gz DXBVFJVMLOAAOK-UHFFFAOYSA-N 0 0 284.363 3.951 50 0 CHAARN CCOc1ccccc1-c1csc(NC(=O)C2CC2)n1 ZINC000027756735 567883676 /nfs/dbraw/zinc/88/36/76/567883676.db2.gz VMQULUOBCCZHLW-UHFFFAOYSA-N 0 0 288.372 3.557 50 0 CHAARN C[C@H](NC(=O)Nc1ccccc1Cl)c1ccncc1 ZINC000028579919 567884096 /nfs/dbraw/zinc/88/40/96/567884096.db2.gz JFYBJXJQYOLNCJ-JTQLQIEISA-N 0 0 275.739 3.618 50 0 CHAARN CC[C@@H](C)C(=O)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000029676295 567884188 /nfs/dbraw/zinc/88/41/88/567884188.db2.gz JYUYLCDCFSZXAN-LLVKDONJSA-N 0 0 275.323 3.748 50 0 CHAARN O=C(NCC1CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000029727326 567884260 /nfs/dbraw/zinc/88/42/60/567884260.db2.gz FBOWDERJXGGOOV-GOSISDBHSA-N 0 0 294.398 3.680 50 0 CHAARN CCCCNc1nn2cc(-c3ccccc3)nc2s1 ZINC000029587646 567884379 /nfs/dbraw/zinc/88/43/79/567884379.db2.gz CQYNSRCDOYLFJP-UHFFFAOYSA-N 0 0 272.377 3.670 50 0 CHAARN CC(C)c1cc(C(=O)N2CCCC2)c2ccccc2n1 ZINC000029485975 567884568 /nfs/dbraw/zinc/88/45/68/567884568.db2.gz KOAKVKGVNYKOGF-UHFFFAOYSA-N 0 0 268.360 3.594 50 0 CHAARN CCC[C@@H]1CCCN(C(=O)c2cccnc2OCC)CC1 ZINC000060221629 567884569 /nfs/dbraw/zinc/88/45/69/567884569.db2.gz QGMDFWOYHAQJOK-CQSZACIVSA-N 0 0 290.407 3.523 50 0 CHAARN CC(C)(C)OC(=O)n1ncc2c1cccc2Br ZINC000030678552 567884917 /nfs/dbraw/zinc/88/49/17/567884917.db2.gz OFVPGIHEBLOESV-UHFFFAOYSA-N 0 0 297.152 3.582 50 0 CHAARN C[C@H](c1cccc(-c2ccc(CC(=O)[O-])cc2)c1)[NH+](C)C ZINC000032593145 567886323 /nfs/dbraw/zinc/88/63/23/567886323.db2.gz LFYRYQAFGPSCOB-CYBMUJFWSA-N 0 0 283.371 3.603 50 0 CHAARN CC(C)c1ccccc1NC(=O)OCC(F)(F)F ZINC000032628751 567886355 /nfs/dbraw/zinc/88/63/55/567886355.db2.gz UYRORKQILIDXHF-UHFFFAOYSA-N 0 0 261.243 3.921 50 0 CHAARN C[C@@H](c1ccc(-c2csc(C(=O)[O-])c2)cc1)[NH+](C)C ZINC000032598253 567886510 /nfs/dbraw/zinc/88/65/10/567886510.db2.gz PUTNVAXAGJDPPM-JTQLQIEISA-N 0 0 275.373 3.736 50 0 CHAARN O=C1C=C(c2ccc(Cl)cc2)OC2(CCCCC2)O1 ZINC000000203627 567887343 /nfs/dbraw/zinc/88/73/43/567887343.db2.gz VPJUTJJSZDJHKG-UHFFFAOYSA-N 0 0 278.735 3.915 50 0 CHAARN Cc1cc(C)c2nc(C)cc(C(=O)N3CCCCC3)c2c1 ZINC000032961566 567887504 /nfs/dbraw/zinc/88/75/04/567887504.db2.gz WXBWTWWDJOZUIH-UHFFFAOYSA-N 0 0 282.387 3.786 50 0 CHAARN Cc1ccc(C)c(OCCCC(=O)NC2CCCCC2)c1 ZINC000001779886 567887667 /nfs/dbraw/zinc/88/76/67/567887667.db2.gz YPRJFUXYJCGQBC-UHFFFAOYSA-N 0 0 289.419 3.911 50 0 CHAARN C[C@H]1CN(Cc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000019607153 567887777 /nfs/dbraw/zinc/88/77/77/567887777.db2.gz FAIAGMVQEOPUTH-UWVGGRQHSA-N 0 0 274.191 3.603 50 0 CHAARN CC[C@@H]1CCCCN1C(=O)C[C@H](C)c1ccccc1 ZINC000001457008 567887987 /nfs/dbraw/zinc/88/79/87/567887987.db2.gz HWWOCLKKOZDATO-GOEBONIOSA-N 0 0 259.393 3.971 50 0 CHAARN Cc1cccc(-c2cc(=O)oc(-c3ccccc3F)n2)c1 ZINC000000455798 567888020 /nfs/dbraw/zinc/88/80/20/567888020.db2.gz GYJXYRZAGQYNHT-UHFFFAOYSA-N 0 0 281.286 3.816 50 0 CHAARN COC(=O)c1ccccc1OCc1ccccc1Cl ZINC000036719669 567889575 /nfs/dbraw/zinc/88/95/75/567889575.db2.gz ZXVAPDOKLJAVNW-UHFFFAOYSA-N 0 0 276.719 3.706 50 0 CHAARN C[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 ZINC000032978369 567889697 /nfs/dbraw/zinc/88/96/97/567889697.db2.gz RRFBOSYOUDJSBL-RDTXWAMCSA-N 0 0 295.382 3.710 50 0 CHAARN CCc1cccc2sc(NCc3ccncc3)nc21 ZINC000036657594 567889879 /nfs/dbraw/zinc/88/98/79/567889879.db2.gz YXXWQZWXOVKPKO-UHFFFAOYSA-N 0 0 269.373 3.866 50 0 CHAARN CNc1nc(Nc2ccc(F)cc2)nc2ccccc21 ZINC000041146520 567890931 /nfs/dbraw/zinc/89/09/31/567890931.db2.gz UAVZHIJNRNZEKR-UHFFFAOYSA-N 0 0 268.295 3.554 50 0 CHAARN O=Cc1cc(Cl)nc(-c2ccc(Cl)cc2)c1 ZINC000043162863 567891840 /nfs/dbraw/zinc/89/18/40/567891840.db2.gz RGNVGKRMVDGSBF-UHFFFAOYSA-N 0 0 252.100 3.868 50 0 CHAARN Cc1cc(N2CCCC[C@H]2C)ncc1Br ZINC000042783492 567891953 /nfs/dbraw/zinc/89/19/53/567891953.db2.gz NNGIOLBJJIXEEJ-SNVBAGLBSA-N 0 0 269.186 3.531 50 0 CHAARN O=C(C1CC1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000048948891 567892654 /nfs/dbraw/zinc/89/26/54/567892654.db2.gz SNTYNEHZSVCDHJ-KRWDZBQOSA-N 0 0 265.356 3.913 50 0 CHAARN Cc1nc(C(=O)N2CCC[C@@H]2c2ccccc2C)cs1 ZINC000049342118 567893214 /nfs/dbraw/zinc/89/32/14/567893214.db2.gz LDLGCOVTUGKXBM-OAHLLOKOSA-N 0 0 286.400 3.737 50 0 CHAARN CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccccc1 ZINC000049544766 567893465 /nfs/dbraw/zinc/89/34/65/567893465.db2.gz SUJMAXROUTWNTF-GFCCVEGCSA-N 0 0 269.348 3.762 50 0 CHAARN CC(C)(C(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000049525401 567893682 /nfs/dbraw/zinc/89/36/82/567893682.db2.gz ASDXDZYDDMPWOZ-UHFFFAOYSA-N 0 0 275.298 3.881 50 0 CHAARN Cc1ccc(-c2nnc3sc(-c4ccccc4)nn32)cc1 ZINC000013691962 567893933 /nfs/dbraw/zinc/89/39/33/567893933.db2.gz ZYTATCITFSXNSY-UHFFFAOYSA-N 0 0 292.367 3.828 50 0 CHAARN CCCN(Cc1nccn1C)Cc1ccc(SC)cc1 ZINC000055227822 567894210 /nfs/dbraw/zinc/89/42/10/567894210.db2.gz FKQISPFTRKGXQZ-UHFFFAOYSA-N 0 0 289.448 3.554 50 0 CHAARN Cc1ccccc1C[S@](=O)Cc1ccc(F)cc1 ZINC000058168093 567895454 /nfs/dbraw/zinc/89/54/54/567895454.db2.gz JWCMQIMGSNDCRZ-SFHVURJKSA-N 0 0 262.349 3.583 50 0 CHAARN Cc1cccnc1NC(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000058161301 567895491 /nfs/dbraw/zinc/89/54/91/567895491.db2.gz IKRMZRDIUINHSQ-UHFFFAOYSA-N 0 0 299.349 3.730 50 0 CHAARN Cc1cccc(-n2ccnc2S[C@@H]2CCCCC2=O)c1 ZINC000058055500 567895546 /nfs/dbraw/zinc/89/55/46/567895546.db2.gz VRQULJMETQAPTG-OAHLLOKOSA-N 0 0 286.400 3.785 50 0 CHAARN Cc1cc(NC(=O)Nc2cccc(COC(C)C)c2)no1 ZINC000058052633 567895549 /nfs/dbraw/zinc/89/55/49/567895549.db2.gz IDFUDZIFWGIHOF-UHFFFAOYSA-N 0 0 289.335 3.552 50 0 CHAARN O=C(C[C@@H]1C=CCC1)Nc1ccc2ccccc2n1 ZINC000058323471 567895754 /nfs/dbraw/zinc/89/57/54/567895754.db2.gz HEBOIFONFYWQNY-GFCCVEGCSA-N 0 0 252.317 3.530 50 0 CHAARN Cc1noc(C)c1NC(=O)c1cccc2ccccc21 ZINC000058329887 567895776 /nfs/dbraw/zinc/89/57/76/567895776.db2.gz VKXDQDQICBMGTQ-UHFFFAOYSA-N 0 0 266.300 3.697 50 0 CHAARN C(=C/c1ccc2ccccc2n1)\c1cn(-c2ccccc2)nn1 ZINC000058323024 567895856 /nfs/dbraw/zinc/89/58/56/567895856.db2.gz LVQYNIYKJOVQCF-OUKQBFOZSA-N 0 0 298.349 3.986 50 0 CHAARN Cc1noc(C)c1NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000058224316 567895940 /nfs/dbraw/zinc/89/59/40/567895940.db2.gz JAPKECACZQUVQX-UHFFFAOYSA-N 0 0 290.706 3.943 50 0 CHAARN C[C@H]1Cc2ccccc2N1CCC(=O)Nc1ccc(F)cc1 ZINC000059370430 567896179 /nfs/dbraw/zinc/89/61/79/567896179.db2.gz CLECWHSYENATDW-ZDUSSCGKSA-N 0 0 298.361 3.606 50 0 CHAARN Cc1cc(Br)cc(Br)c1F ZINC000063339584 567897408 /nfs/dbraw/zinc/89/74/08/567897408.db2.gz FGAFUBIRVFOJQI-UHFFFAOYSA-N 0 0 267.923 3.659 50 0 CHAARN Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000011205621 567897182 /nfs/dbraw/zinc/89/71/82/567897182.db2.gz CILNYRLKRALLNG-IBGZPJMESA-N 0 0 295.382 3.641 50 0 CHAARN COC(=O)Nc1ccc(OCc2sc(C)nc2C)cc1 ZINC000096428853 567897576 /nfs/dbraw/zinc/89/75/76/567897576.db2.gz KBPPPFNKSZVCLB-UHFFFAOYSA-N 0 0 292.360 3.517 50 0 CHAARN COCc1nc(CSCc2ccccc2)cs1 ZINC000096429926 567897733 /nfs/dbraw/zinc/89/77/33/567897733.db2.gz QIVDVLGABBVECS-UHFFFAOYSA-N 0 0 265.403 3.723 50 0 CHAARN CCCOCCCn1cnc(-c2ccccc2)c1C ZINC000065375292 567898510 /nfs/dbraw/zinc/89/85/10/567898510.db2.gz IFNUKHNRWPCHQN-UHFFFAOYSA-N 0 0 258.365 3.675 50 0 CHAARN O=Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1O ZINC000065342032 567898522 /nfs/dbraw/zinc/89/85/22/567898522.db2.gz 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/nfs/dbraw/zinc/93/50/84/567935084.db2.gz GMTNNSYHALXOAX-UHFFFAOYSA-N 0 0 274.389 3.701 50 0 CHAARN O=C(OCc1ccccc1Cl)c1cccs1 ZINC000000149193 567935444 /nfs/dbraw/zinc/93/54/44/567935444.db2.gz DAOHFNBBDSOMEU-UHFFFAOYSA-N 0 0 252.722 3.759 50 0 CHAARN CCCc1cc(C(=O)Nc2ccncc2)sc1C ZINC000017584202 567935450 /nfs/dbraw/zinc/93/54/50/567935450.db2.gz LRNNBQWUANXYTR-UHFFFAOYSA-N 0 0 260.362 3.656 50 0 CHAARN Cc1ccc(NC(=O)c2sccc2Cl)cc1 ZINC000000082026 567935690 /nfs/dbraw/zinc/93/56/90/567935690.db2.gz OZCOHBFWQYUVDZ-UHFFFAOYSA-N 0 0 251.738 3.962 50 0 CHAARN CCc1ccc(OCC(=O)Nc2cccc(C)c2)cc1 ZINC000000078357 567935768 /nfs/dbraw/zinc/93/57/68/567935768.db2.gz UFEWAHUERQKGTH-UHFFFAOYSA-N 0 0 269.344 3.575 50 0 CHAARN CC(C)c1ccc(OCC(=O)NC2CCCCC2)cc1 ZINC000000304029 567935805 /nfs/dbraw/zinc/93/58/05/567935805.db2.gz AUZJTJUAUWMFQG-UHFFFAOYSA-N 0 0 275.392 3.638 50 0 CHAARN Cc1nc2ccccc2n1C[C@H]1CC1(Cl)Cl ZINC000000352661 567935825 /nfs/dbraw/zinc/93/58/25/567935825.db2.gz 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275.735 3.739 50 0 CHAARN CC(=O)c1cccc(NC(=O)Nc2ccccc2F)c1 ZINC000001752756 567937469 /nfs/dbraw/zinc/93/74/69/567937469.db2.gz PFTUHSAQQSRXOG-UHFFFAOYSA-N 0 0 272.279 3.672 50 0 CHAARN CCOc1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1 ZINC000002915667 567937883 /nfs/dbraw/zinc/93/78/83/567937883.db2.gz SOJUDQIQZPAFPF-MRXNPFEDSA-N 0 0 284.384 3.782 50 0 CHAARN CC(=O)c1cccc(NC(=O)Nc2ccc(C)cc2)c1 ZINC000003958901 567938123 /nfs/dbraw/zinc/93/81/23/567938123.db2.gz KSXMTRFECJQCKX-UHFFFAOYSA-N 0 0 268.316 3.842 50 0 CHAARN CCN(Cc1c[nH]c2ccccc12)C(=O)c1scnc1C ZINC000188952722 567938436 /nfs/dbraw/zinc/93/84/36/567938436.db2.gz BUWSHPDNJIPCAU-UHFFFAOYSA-N 0 0 299.399 3.595 50 0 CHAARN O=C(/C=C/c1ccoc1)N1CCc2sc(Cl)cc2C1 ZINC000585148743 567938527 /nfs/dbraw/zinc/93/85/27/567938527.db2.gz BNBYPXZFHVXZHB-OWOJBTEDSA-N 0 0 293.775 3.593 50 0 CHAARN CCNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000000483786 567939029 /nfs/dbraw/zinc/93/90/29/567939029.db2.gz LZEXAXRBGRAXMT-HNNXBMFYSA-N 0 0 271.385 3.656 50 0 CHAARN O=C(c1ccsc1)N1CCS[C@@H](c2ccco2)CC1 ZINC000207010248 567939182 /nfs/dbraw/zinc/93/91/82/567939182.db2.gz ITCOGEHKQNNXEB-CYBMUJFWSA-N 0 0 293.413 3.662 50 0 CHAARN FC(F)Oc1cc2cc[nH]c2c(Br)c1 ZINC000169725917 567939537 /nfs/dbraw/zinc/93/95/37/567939537.db2.gz HDIWSJPCMPFFOK-UHFFFAOYSA-N 0 0 262.053 3.532 50 0 CHAARN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2F)c1 ZINC000010542759 567939738 /nfs/dbraw/zinc/93/97/38/567939738.db2.gz AKXOIVPOXLGFIN-CYBMUJFWSA-N 0 0 271.335 3.934 50 0 CHAARN Cc1ccc(NC(=O)CN2CCCc3ccccc32)cc1F ZINC000005687557 567940488 /nfs/dbraw/zinc/94/04/88/567940488.db2.gz RFHZCTXYULMHLK-UHFFFAOYSA-N 0 0 298.361 3.525 50 0 CHAARN COc1ccccc1NC(=O)NC[C@@H](C)c1ccccc1 ZINC000018180625 567940511 /nfs/dbraw/zinc/94/05/11/567940511.db2.gz DHXQDOOPPQISKF-CYBMUJFWSA-N 0 0 284.359 3.620 50 0 CHAARN CCC[C@@H]1[C@@H](C)CCCN1C(=O)CCc1cscn1 ZINC000081179281 567940717 /nfs/dbraw/zinc/94/07/17/567940717.db2.gz LZCMNAXMKRTWKM-GXTWGEPZSA-N 0 0 280.437 3.503 50 0 CHAARN CC(=O)c1ccc(NC(=O)CCCc2cccs2)cc1 ZINC000012936148 567940933 /nfs/dbraw/zinc/94/09/33/567940933.db2.gz TYVFDJIXAKLABQ-UHFFFAOYSA-N 0 0 287.384 3.912 50 0 CHAARN CCOc1ccccc1Nc1c(N)oc(=O)c2ccccc21 ZINC000101426137 567941091 /nfs/dbraw/zinc/94/10/91/567941091.db2.gz HKCFPRBSSCNMNZ-UHFFFAOYSA-N 0 0 296.326 3.518 50 0 CHAARN O=c1nc2n(c3ccccc13)Cc1ccc3ccccc3c1-2 ZINC000000518235 567941942 /nfs/dbraw/zinc/94/19/42/567941942.db2.gz ISBNABFPUNHGEW-UHFFFAOYSA-N 0 0 284.318 3.578 50 0 biogenic CHAARN CCc1ccc(CCC(=O)Nc2ccc(C)cc2)o1 ZINC000000536616 567942681 /nfs/dbraw/zinc/94/26/81/567942681.db2.gz YRSRQZYSNWBOFG-UHFFFAOYSA-N 0 0 257.333 3.722 50 0 CHAARN Cc1cnccc1NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000120508633 567942718 /nfs/dbraw/zinc/94/27/18/567942718.db2.gz QTGRWTKZRXHEST-DOMZBBRYSA-N 0 0 299.374 3.988 50 0 CHAARN Cc1cc(C(=O)N2CCC(C)CC2)c2cc(F)ccc2n1 ZINC000000543473 567942790 /nfs/dbraw/zinc/94/27/90/567942790.db2.gz AWEWCXXUHMNLHN-UHFFFAOYSA-N 0 0 286.350 3.554 50 0 CHAARN CCOc1ccc(-c2cc(O)cc3sc(=O)oc32)cc1 ZINC000000539308 567942871 /nfs/dbraw/zinc/94/28/71/567942871.db2.gz DQSBGCDOCUSPSF-UHFFFAOYSA-N 0 0 288.324 3.626 50 0 CHAARN C[C@H](CCc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 ZINC000014796093 567943645 /nfs/dbraw/zinc/94/36/45/567943645.db2.gz FXTYERNRPLSHDP-CQSZACIVSA-N 0 0 292.382 3.919 50 0 CHAARN COc1ccc(-c2cnc(-c3ccccc3)nc2)cc1 ZINC000005720617 567943809 /nfs/dbraw/zinc/94/38/09/567943809.db2.gz VIKSRHSMMPQTTE-UHFFFAOYSA-N 0 0 262.312 3.819 50 0 CHAARN O=C(NC1CCC(F)(F)CC1)c1ccc(F)c(Cl)c1 ZINC000341454988 567943862 /nfs/dbraw/zinc/94/38/62/567943862.db2.gz DDFWBSIAEGAYGU-UHFFFAOYSA-N 0 0 291.700 3.787 50 0 CHAARN CC(=O)c1ccc(NC(=O)c2ccc(C)c(F)c2)cc1 ZINC000015517535 567943966 /nfs/dbraw/zinc/94/39/66/567943966.db2.gz HPYMVBVASQHHLA-UHFFFAOYSA-N 0 0 271.291 3.589 50 0 CHAARN Cc1ccc(NC(=O)c2cccc(C)c2O)c(C)c1 ZINC000019836819 567944912 /nfs/dbraw/zinc/94/49/12/567944912.db2.gz APPXKOXSHCQIDH-UHFFFAOYSA-N 0 0 255.317 3.570 50 0 CHAARN COc1ccccc1CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019903146 567944939 /nfs/dbraw/zinc/94/49/39/567944939.db2.gz OCXJFPCMNYLICT-WFASDCNBSA-N 0 0 271.360 3.701 50 0 CHAARN COC(=O)c1ccc(CNc2cccc(SC)c2)cc1 ZINC000019900612 567945036 /nfs/dbraw/zinc/94/50/36/567945036.db2.gz XPCLFTZSOPGZQG-UHFFFAOYSA-N 0 0 287.384 3.807 50 0 CHAARN O=C(Nc1cccc(NCCc2ccccc2)c1)C1CC1 ZINC000020093463 567945362 /nfs/dbraw/zinc/94/53/62/567945362.db2.gz LEULZXDHZNLSGM-UHFFFAOYSA-N 0 0 280.371 3.690 50 0 CHAARN CCc1ccc(NC(=O)NC2CCC(C)CC2)cc1 ZINC000044845360 567946082 /nfs/dbraw/zinc/94/60/82/567946082.db2.gz SKXMIAFDWNGDBE-UHFFFAOYSA-N 0 0 260.381 3.949 50 0 CHAARN CCC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(OC)n1 ZINC000048309329 567946335 /nfs/dbraw/zinc/94/63/35/567946335.db2.gz QYXGUWDGQOHVDC-GFCCVEGCSA-N 0 0 286.375 3.504 50 0 CHAARN Cn1ncc2c1NC(=O)C[C@@H]2c1ccccc1C(F)(F)F ZINC000049544265 567946705 /nfs/dbraw/zinc/94/67/05/567946705.db2.gz IRWVQVACLHUQSH-SECBINFHSA-N 0 0 295.264 3.563 50 0 CHAARN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NC(C)C ZINC000049519064 567946855 /nfs/dbraw/zinc/94/68/55/567946855.db2.gz YGZWONCKTSSAEZ-UHFFFAOYSA-N 0 0 288.416 3.874 50 0 CHAARN CC[C@H](C(=O)N(C)Cc1ccc(F)cc1)c1ccccc1 ZINC000049945694 567946872 /nfs/dbraw/zinc/94/68/72/567946872.db2.gz HIKVDUPCPPZHRN-KRWDZBQOSA-N 0 0 285.362 3.978 50 0 CHAARN CC1(C)CC[C@@H](NC(=O)C2CCC2)c2ccccc21 ZINC000049479817 567946899 /nfs/dbraw/zinc/94/68/99/567946899.db2.gz YFHFNOGQAXOIJO-OAHLLOKOSA-N 0 0 257.377 3.715 50 0 CHAARN Cc1sc2nc(C)n3nc(-c4ccco4)nc3c2c1C ZINC000049548647 567946921 /nfs/dbraw/zinc/94/69/21/567946921.db2.gz ZHYNJWKDUIEHMD-UHFFFAOYSA-N 0 0 284.344 3.524 50 0 CHAARN C[C@@H](c1cc(C(=O)N2CCCCCC2)on1)c1ccccc1 ZINC000012280277 567947138 /nfs/dbraw/zinc/94/71/38/567947138.db2.gz BXFXTYXNEWPOGX-CQSZACIVSA-N 0 0 298.386 3.843 50 0 CHAARN CCc1nnc(CN(CC)CC[C@H](C)c2ccccc2)o1 ZINC000215894143 567947357 /nfs/dbraw/zinc/94/73/57/567947357.db2.gz RCTKEJTYAXRBEX-AWEZNQCLSA-N 0 0 287.407 3.648 50 0 CHAARN CC[C@H](c1ccccn1)N(C)Cc1cc(C(C)C)no1 ZINC000216293844 567947584 /nfs/dbraw/zinc/94/75/84/567947584.db2.gz SOWVREKJCXVSJG-MRXNPFEDSA-N 0 0 273.380 3.776 50 0 CHAARN Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1cc2ccccc2o1 ZINC000216407193 567947655 /nfs/dbraw/zinc/94/76/55/567947655.db2.gz MRSDBTYKVSHTGS-LBPRGKRZSA-N 0 0 297.358 3.606 50 0 CHAARN CC[C@H]1CCCCN1C(=O)c1ccc(C)c(F)c1F ZINC000000796962 567948067 /nfs/dbraw/zinc/94/80/67/567948067.db2.gz DHJBSSAFFXBGIW-NSHDSACASA-N 0 0 267.319 3.678 50 0 CHAARN Cc1cc2n(n1)[C@H](c1cccnc1)Nc1c(C)cccc1-2 ZINC000000818113 567948344 /nfs/dbraw/zinc/94/83/44/567948344.db2.gz XAHQOHCUTQZIRV-QGZVFWFLSA-N 0 0 276.343 3.534 50 0 CHAARN CCc1nnc(COc2ccc(Cl)cc2Cl)o1 ZINC000032865395 567948651 /nfs/dbraw/zinc/94/86/51/567948651.db2.gz GPEXCPDSSOTRLV-UHFFFAOYSA-N 0 0 273.119 3.518 50 0 CHAARN CC[C@@H](NC(=O)CCC(F)(F)F)c1nc(C)c(C)s1 ZINC000223014030 567949260 /nfs/dbraw/zinc/94/92/60/567949260.db2.gz WXLYNKOIRHTEGG-SECBINFHSA-N 0 0 294.342 3.670 50 0 CHAARN C[C@H](Nc1ccc2c(c1)OC(F)(F)O2)c1ccncc1F ZINC000225410678 567953368 /nfs/dbraw/zinc/95/33/68/567953368.db2.gz LQHWAPAHXAZHQI-QMMMGPOBSA-N 0 0 296.248 3.715 50 0 CHAARN CCc1cnc(CN[C@H]2CCCc3ccc(O)cc32)s1 ZINC000225476814 567953668 /nfs/dbraw/zinc/95/36/68/567953668.db2.gz DRXPUSDFBQAOHR-HNNXBMFYSA-N 0 0 288.416 3.578 50 0 CHAARN C[C@H]1CC[C@H](c2nc(-c3cccc(Cl)c3F)no2)O1 ZINC000225605032 567953927 /nfs/dbraw/zinc/95/39/27/567953927.db2.gz IARPDIMHDJATGA-OIBJUYFYSA-N 0 0 282.702 3.769 50 0 CHAARN c1cc(-c2ccncc2)n(CCSCc2ccccc2)n1 ZINC000225728815 567954797 /nfs/dbraw/zinc/95/47/97/567954797.db2.gz HWPDOWQWAFWDFQ-UHFFFAOYSA-N 0 0 295.411 3.879 50 0 CHAARN O=C(c1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000000029236 570218184 /nfs/dbraw/zinc/21/81/84/570218184.db2.gz AFLIBHSYRRBBBP-UHFFFAOYSA-N 0 0 271.747 3.539 50 0 CHAARN Clc1ccc(CNCc2cccnc2)c(Cl)c1 ZINC000004687268 570215914 /nfs/dbraw/zinc/21/59/14/570215914.db2.gz GACLOGVSUIRUNK-UHFFFAOYSA-N 0 0 267.159 3.678 50 0 CHAARN C[C@H](c1cccnc1)N(C)C(=O)Nc1ccccc1Cl ZINC000068372557 570217019 /nfs/dbraw/zinc/21/70/19/570217019.db2.gz QIXDVFQLWNOHJL-LLVKDONJSA-N 0 0 289.766 3.960 50 0 CHAARN Cn1c2ccccc2c2c(c1=O)Sc1ccccc1N2 ZINC000006666592 570217574 /nfs/dbraw/zinc/21/75/74/570217574.db2.gz DFDVMCMHCQFFJX-UHFFFAOYSA-N 0 0 280.352 3.747 50 0 CHAARN CC[C@@H]1CCCCN1C(=O)c1ccccc1Cl ZINC000001466472 570218072 /nfs/dbraw/zinc/21/80/72/570218072.db2.gz IZQJCOBZRPQHEG-LLVKDONJSA-N 0 0 251.757 3.745 50 0 CHAARN O=C(c1ccccc1Cl)N1CCc2ccccc2C1 ZINC000000029254 570218095 /nfs/dbraw/zinc/21/80/95/570218095.db2.gz KOMIWKBMNBXJQN-UHFFFAOYSA-N 0 0 271.747 3.539 50 0 CHAARN O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCCC1 ZINC000011554027 570219769 /nfs/dbraw/zinc/21/97/69/570219769.db2.gz SPUNZUKLXQTKGM-UHFFFAOYSA-N 0 0 280.371 3.801 50 0 CHAARN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N(C)C ZINC000013466615 570219871 /nfs/dbraw/zinc/21/98/71/570219871.db2.gz YUDYJPHZAANGHZ-UHFFFAOYSA-N 0 0 263.724 3.610 50 0 CHAARN Clc1ccc2nc(NCc3ccccn3)sc2c1 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262.721 3.717 50 0 CHAARN CCC[C@H]1CCCN(C(=O)Nc2cccnc2OC)CC1 ZINC000060975357 570267060 /nfs/dbraw/zinc/26/70/60/570267060.db2.gz DIVSKZLFZUJHJC-ZDUSSCGKSA-N 0 0 291.395 3.524 50 0 CHAARN Cc1cc(C)c(C)c2occ(CC(=O)NCC(F)(F)F)c21 ZINC000016606481 570287737 /nfs/dbraw/zinc/28/77/37/570287737.db2.gz LOTHRCKXQOFFPV-UHFFFAOYSA-N 0 0 299.292 3.579 50 0 CHAARN CCOC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000018343532 570289350 /nfs/dbraw/zinc/28/93/50/570289350.db2.gz UWPHYLZNTSTMIK-UHFFFAOYSA-N 0 0 267.284 3.672 50 0 CHAARN O=C(/C=C/c1ccc(F)cc1)n1cnc2ccccc21 ZINC000003876850 570292592 /nfs/dbraw/zinc/29/25/92/570292592.db2.gz KYVMBLSCOSIGTE-JXMROGBWSA-N 0 0 266.275 3.529 50 0 CHAARN C[C@@H]1c2cccn2CCN1C(=O)CCC1CCCCC1 ZINC000048324735 570297100 /nfs/dbraw/zinc/29/71/00/570297100.db2.gz CXEHKKMBGFLANR-CQSZACIVSA-N 0 0 274.408 3.752 50 0 CHAARN CC(C)Oc1ccccc1[C@@H](C)NC(=O)C1CCCC1 ZINC000048324442 570297123 /nfs/dbraw/zinc/29/71/23/570297123.db2.gz HNDYFSPHYIDOGP-CYBMUJFWSA-N 0 0 275.392 3.841 50 0 CHAARN C[C@H]1c2cccn2CCN1C(=O)CCC1CCCCC1 ZINC000048324736 570297160 /nfs/dbraw/zinc/29/71/60/570297160.db2.gz CXEHKKMBGFLANR-AWEZNQCLSA-N 0 0 274.408 3.752 50 0 CHAARN O=C(NC1CCCCC1)N[C@H]1CCSc2ccccc21 ZINC000048344262 570297732 /nfs/dbraw/zinc/29/77/32/570297732.db2.gz CYEUUQOBFXBFHF-AWEZNQCLSA-N 0 0 290.432 3.855 50 0 CHAARN COc1ccc(-c2nc(-c3cnccn3)sc2C)cc1 ZINC000048640752 570298732 /nfs/dbraw/zinc/29/87/32/570298732.db2.gz UCMDZKBBRHTBRZ-UHFFFAOYSA-N 0 0 283.356 3.584 50 0 CHAARN Cc1nc(C)c([C@H](C)NC(=O)Nc2cccc(F)c2)s1 ZINC000048694437 570299012 /nfs/dbraw/zinc/29/90/12/570299012.db2.gz PNPAQJGLTDWPBA-VIFPVBQESA-N 0 0 293.367 3.782 50 0 CHAARN C/C(=C/C(=O)N[C@@H]1CCC[C@H](C)C1)c1ccc(F)cc1 ZINC000049374574 570300342 /nfs/dbraw/zinc/30/03/42/570300342.db2.gz BGRXYDMSYOMQSG-IEVZRFFWSA-N 0 0 275.367 3.924 50 0 CHAARN [O-]c1cn(-c2ccc(F)cc2)nc1-c1ccc(F)cc1 ZINC000215850925 570304035 /nfs/dbraw/zinc/30/40/35/570304035.db2.gz VWCQGEVTPTUSFR-UHFFFAOYSA-N 0 0 272.254 3.523 50 0 CHAARN CC(C)=CC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000023154578 570311032 /nfs/dbraw/zinc/31/10/32/570311032.db2.gz IEKDDNKIASUZMW-UHFFFAOYSA-N 0 0 284.359 3.500 50 0 CHAARN CC(=O)c1ccc(Oc2ncnc3oc(C)c(C)c32)cc1 ZINC000032996736 570311421 /nfs/dbraw/zinc/31/14/21/570311421.db2.gz WAZWJUFRJVUJRP-UHFFFAOYSA-N 0 0 282.299 3.835 50 0 CHAARN Cc1ccc(NC(=O)c2ccc(F)cc2Cl)c(O)c1 ZINC000033028973 570311434 /nfs/dbraw/zinc/31/14/34/570311434.db2.gz VUNHEURTODJCIR-UHFFFAOYSA-N 0 0 279.698 3.745 50 0 CHAARN O=C(CCC1CCCC1)Nc1nc(C2CC2)cs1 ZINC000025560376 570325154 /nfs/dbraw/zinc/32/51/54/570325154.db2.gz UFUFSKWCDRGUOZ-UHFFFAOYSA-N 0 0 264.394 3.929 50 0 CHAARN CC(=O)Nc1ccc(SCc2nccn2C(F)F)cc1 ZINC000012506581 570326486 /nfs/dbraw/zinc/32/64/86/570326486.db2.gz KAHMKEUQZAZCSF-UHFFFAOYSA-N 0 0 297.330 3.529 50 0 CHAARN COc1ccc(C(=O)CNc2cccc(Cl)c2C)cc1 ZINC000003270942 570327410 /nfs/dbraw/zinc/32/74/10/570327410.db2.gz DMCPOEVWKBKZEW-UHFFFAOYSA-N 0 0 289.762 3.952 50 0 CHAARN O=C(N[C@H]1CCCc2ccccc21)c1ccccc1F ZINC000003608504 570328163 /nfs/dbraw/zinc/32/81/63/570328163.db2.gz MUPFPGNDJWQETC-INIZCTEOSA-N 0 0 269.319 3.633 50 0 CHAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 ZINC000003607872 570328165 /nfs/dbraw/zinc/32/81/65/570328165.db2.gz WXKSNXKBRGGTDC-SNVBAGLBSA-N 0 0 293.725 3.885 50 0 CHAARN O=C(Nc1nccs1)c1cc(F)c(Cl)cc1Cl ZINC000012598893 570328721 /nfs/dbraw/zinc/32/87/21/570328721.db2.gz XFMJWTZTSUTUAO-UHFFFAOYSA-N 0 0 291.134 3.841 50 0 CHAARN c1c(CSc2cnc3ccccc3n2)nc2ccccn12 ZINC000012600384 570329171 /nfs/dbraw/zinc/32/91/71/570329171.db2.gz CRJDRZBONPAGSR-UHFFFAOYSA-N 0 0 292.367 3.570 50 0 CHAARN Cc1ccc(-c2n[nH]cc2C(=O)c2ccccc2C)c(O)c1 ZINC000001247845 570331923 /nfs/dbraw/zinc/33/19/23/570331923.db2.gz PFYFDYAFQRNSSO-UHFFFAOYSA-N 0 0 292.338 3.630 50 0 CHAARN Cc1cc(NCc2cccc(C(F)(F)F)c2)no1 ZINC000083413813 570332377 /nfs/dbraw/zinc/33/23/77/570332377.db2.gz KBVWNDYTSKGBDJ-UHFFFAOYSA-N 0 0 256.227 3.614 50 0 CHAARN CC(C)(C)c1ccn(CC(=O)c2ccc(Cl)cc2)n1 ZINC000001384645 570332686 /nfs/dbraw/zinc/33/26/86/570332686.db2.gz ZMFWGNAZXUVDGN-UHFFFAOYSA-N 0 0 276.767 3.717 50 0 CHAARN Cc1ccccc1CN1c2ccccc2CCCC1=O ZINC000001386977 570333407 /nfs/dbraw/zinc/33/34/07/570333407.db2.gz SHGKHMZBGANSCQ-UHFFFAOYSA-N 0 0 265.356 3.865 50 0 CHAARN CCc1ccc([C@@H]2C[C@H](C(F)F)n3nccc3N2)cc1 ZINC000002784987 570333785 /nfs/dbraw/zinc/33/37/85/570333785.db2.gz HJRNFCBDDVTUEI-QWHCGFSZSA-N 0 0 277.318 3.809 50 0 CHAARN Cc1nc(CNc2cccc(OC(F)F)c2C)cs1 ZINC000084041473 570334304 /nfs/dbraw/zinc/33/43/04/570334304.db2.gz ZXNKBRQUOJDDJX-UHFFFAOYSA-N 0 0 284.331 3.973 50 0 CHAARN C[C@H](Cc1ccoc1)NC(=O)Cc1cccc2ccccc21 ZINC000084833600 570337410 /nfs/dbraw/zinc/33/74/10/570337410.db2.gz HWNHFXKJPUHEQB-CQSZACIVSA-N 0 0 293.366 3.723 50 0 CHAARN CC(C)(C)c1ccc2nc(-c3ccncc3)oc(=O)c2c1 ZINC000012381758 570338872 /nfs/dbraw/zinc/33/88/72/570338872.db2.gz CGQDSLHJYXSQJL-UHFFFAOYSA-N 0 0 280.327 3.548 50 0 CHAARN O=C(CCOc1ccccc1)Nc1cccc2c1CCCC2 ZINC000012820189 570339150 /nfs/dbraw/zinc/33/91/50/570339150.db2.gz SHNLQCYFMCQQGV-UHFFFAOYSA-N 0 0 295.382 3.973 50 0 CHAARN FC(F)(F)CSc1nnc2sc3ccccc3n12 ZINC000074251053 570339156 /nfs/dbraw/zinc/33/91/56/570339156.db2.gz DUYCJWQOZBRIJW-UHFFFAOYSA-N 0 0 289.307 3.598 50 0 CHAARN O=Cc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000575442066 570347362 /nfs/dbraw/zinc/34/73/62/570347362.db2.gz GQQWCMOHSNIWRV-UHFFFAOYSA-N 0 0 273.037 3.747 50 0 CHAARN C[C@H](Cc1cc2ccccc2o1)NC(=O)[C@@H]1CC=CCC1 ZINC000575415594 570346710 /nfs/dbraw/zinc/34/67/10/570346710.db2.gz FDJYYFCEVYDJSV-ZIAGYGMSSA-N 0 0 283.371 3.836 50 0 CHAARN O=C(c1ccncc1)N1CC2(CCCC2)c2ccccc21 ZINC000074910743 570347639 /nfs/dbraw/zinc/34/76/39/570347639.db2.gz RULXNZMWNMCFGV-UHFFFAOYSA-N 0 0 278.355 3.554 50 0 CHAARN S=C(NCCCc1ccccc1)Nc1ccccc1 ZINC000001719459 570349395 /nfs/dbraw/zinc/34/93/95/570349395.db2.gz KSAVTPCYXUELBT-UHFFFAOYSA-N 0 0 270.401 3.606 50 0 CHAARN Cc1cccnc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000012526492 570352907 /nfs/dbraw/zinc/35/29/07/570352907.db2.gz FSZPZKHZGAVQBG-UHFFFAOYSA-N 0 0 293.370 3.833 50 0 CHAARN CC(C)C[C@H](NC(=O)c1ccccn1)c1ccccc1 ZINC000013005781 570354299 /nfs/dbraw/zinc/35/42/99/570354299.db2.gz XOZJMJXDUXORDT-INIZCTEOSA-N 0 0 268.360 3.599 50 0 CHAARN Cc1noc(C)c1CSc1nnc(NC(C)(C)C)s1 ZINC000013005404 570354336 /nfs/dbraw/zinc/35/43/36/570354336.db2.gz BTIMJRHUJCUBIP-UHFFFAOYSA-N 0 0 298.437 3.646 50 0 CHAARN CCSCCC(=O)O[C@@H](C)c1sc(CC)nc1C ZINC000089289889 570355710 /nfs/dbraw/zinc/35/57/10/570355710.db2.gz PAYFRKRTPIBLLH-JTQLQIEISA-N 0 0 287.450 3.761 50 0 CHAARN Cc1cccc(-n2ccnc2SCc2cnn(C)c2)c1C ZINC000075572170 570356259 /nfs/dbraw/zinc/35/62/59/570356259.db2.gz QWXDGKHKYJQWRM-UHFFFAOYSA-N 0 0 298.415 3.515 50 0 CHAARN O=C1CCCCCC1=NNc1ccc(Cl)cc1 ZINC000252627727 570357820 /nfs/dbraw/zinc/35/78/20/570357820.db2.gz SAGSARVYFRCYSG-UHFFFAOYSA-N 0 0 250.729 3.641 50 0 CHAARN CCCNC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000016639826 570358066 /nfs/dbraw/zinc/35/80/66/570358066.db2.gz 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NMHWOPQQRWBCQI-SSDOTTSWSA-N 0 0 284.693 3.892 50 0 CHAARN CC[NH+](CC)Cc1ccc(Br)cc1Cl ZINC000060876231 570390281 /nfs/dbraw/zinc/39/02/81/570390281.db2.gz USGAUDXKLRQQTO-UHFFFAOYSA-N 0 0 276.605 3.944 50 0 CHAARN Cc1ccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000012893233 570390324 /nfs/dbraw/zinc/39/03/24/570390324.db2.gz MPYVILMQJYFSOI-QGZVFWFLSA-N 0 0 296.370 3.600 50 0 CHAARN CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CC=CCC1 ZINC000012977149 570390789 /nfs/dbraw/zinc/39/07/89/570390789.db2.gz GMMKBZJUQCOOMX-TZMCWYRMSA-N 0 0 275.417 3.940 50 0 CHAARN COc1ccc(C)cc1NC(=O)c1ccc(Cl)o1 ZINC000013018795 570391097 /nfs/dbraw/zinc/39/10/97/570391097.db2.gz VQJYNDQDQCHRLZ-UHFFFAOYSA-N 0 0 265.696 3.502 50 0 CHAARN CCOc1ccc(Nc2cnc3ccccc3n2)cc1 ZINC000013363238 570392717 /nfs/dbraw/zinc/39/27/17/570392717.db2.gz CUXNBQAALIPHNN-UHFFFAOYSA-N 0 0 265.316 3.772 50 0 CHAARN CCCCCNc1ncnc2c3ccccc3[nH]c21 ZINC000002421504 570394149 /nfs/dbraw/zinc/39/41/49/570394149.db2.gz MOXITAURSAQRKB-UHFFFAOYSA-N 0 0 254.337 3.713 50 0 CHAARN Cn1c2ccccc2nc1-c1ccc(C[NH+]2CCCCC2)o1 ZINC000002450022 570395693 /nfs/dbraw/zinc/39/56/93/570395693.db2.gz LAZKNAIDXUVRLT-UHFFFAOYSA-N 0 0 295.386 3.819 50 0 CHAARN Cc1oc(-c2cccs2)nc1CS[C@H](C)[C@H](C)O ZINC000079060073 570396192 /nfs/dbraw/zinc/39/61/92/570396192.db2.gz WDVVCCSIBYNXJW-WCBMZHEXSA-N 0 0 283.418 3.714 50 0 CHAARN CC(=O)c1c(C)[nH]c(C(=O)COc2cc(C)cc(C)c2)c1C ZINC000002615859 570396870 /nfs/dbraw/zinc/39/68/70/570396870.db2.gz MGVTYHQXYCVIIC-UHFFFAOYSA-N 0 0 299.370 3.713 50 0 CHAARN Cc1ccsc1C(=O)Nc1ccc(F)c(F)c1F ZINC000002625051 570396949 /nfs/dbraw/zinc/39/69/49/570396949.db2.gz XNPDVVBETGDZSV-UHFFFAOYSA-N 0 0 271.263 3.726 50 0 CHAARN CC(C)c1ccccc1NC(=O)Cc1ccccc1 ZINC000002628737 570397347 /nfs/dbraw/zinc/39/73/47/570397347.db2.gz QLTQJWJYUJVVPT-UHFFFAOYSA-N 0 0 253.345 3.991 50 0 CHAARN Cc1ccc(CN(C(=O)NCc2ccccc2)C(C)C)o1 ZINC000056358833 570397952 /nfs/dbraw/zinc/39/79/52/570397952.db2.gz RFQXKGKJQKWKPU-UHFFFAOYSA-N 0 0 286.375 3.708 50 0 CHAARN Cc1ccc(NC(=O)N(Cc2ccccn2)C(C)C)cc1 ZINC000056358913 570397990 /nfs/dbraw/zinc/39/79/90/570397990.db2.gz GYVHDDDGLZOOON-UHFFFAOYSA-N 0 0 283.375 3.833 50 0 CHAARN O=C(Cc1ccc(Cl)c(Cl)c1)NC1CCCCC1 ZINC000003437361 570399390 /nfs/dbraw/zinc/39/93/90/570399390.db2.gz DGWUMUKYENUTSS-UHFFFAOYSA-N 0 0 286.202 3.985 50 0 CHAARN O=C(COC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000003441475 570399393 /nfs/dbraw/zinc/39/93/93/570399393.db2.gz NCONDQMIHDAGBM-UHFFFAOYSA-N 0 0 290.318 3.880 50 0 CHAARN O=C(Cc1coc2cc3c(cc12)CCC3)NC1CCCCC1 ZINC000003451047 570399807 /nfs/dbraw/zinc/39/98/07/570399807.db2.gz PSARINMXROILGH-UHFFFAOYSA-N 0 0 297.398 3.913 50 0 CHAARN O=C([O-])[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000003749291 570400361 /nfs/dbraw/zinc/40/03/61/570400361.db2.gz YYGKVQTTYRUFEX-GOSISDBHSA-N 0 0 295.382 3.650 50 0 CHAARN CCN(C(=O)CSc1ccccc1C)c1cccnc1 ZINC000068304842 570401167 /nfs/dbraw/zinc/40/11/67/570401167.db2.gz RBRDRXGWYBAJRC-UHFFFAOYSA-N 0 0 286.400 3.535 50 0 CHAARN Cc1ccc(NCc2ccc3n2[C@H](C)CC3=O)cc1 ZINC000039931059 570401441 /nfs/dbraw/zinc/40/14/41/570401441.db2.gz VCYAMUZOWZMIRU-GFCCVEGCSA-N 0 0 254.333 3.556 50 0 CHAARN COc1cc(-c2cc(=O)c3ccc(C)c(C)c3o2)ccc1O ZINC000041195133 570403605 /nfs/dbraw/zinc/40/36/05/570403605.db2.gz VUQDFZVRWABAIN-UHFFFAOYSA-N 0 0 296.322 3.791 50 0 CHAARN Fc1ccc(CCNc2ncnc3c(F)cccc23)cc1 ZINC000041471173 570404023 /nfs/dbraw/zinc/40/40/23/570404023.db2.gz GOYDWTWVFXADSV-UHFFFAOYSA-N 0 0 285.297 3.563 50 0 CHAARN Cc1cc(CNC(=O)Cc2cccc3ccccc32)c(C)o1 ZINC000070640381 570404529 /nfs/dbraw/zinc/40/45/29/570404529.db2.gz BRJHTUCRXSKNKE-UHFFFAOYSA-N 0 0 293.366 3.909 50 0 CHAARN CCCCCSc1n[nH]c(-c2cccs2)n1 ZINC000077896304 570405380 /nfs/dbraw/zinc/40/53/80/570405380.db2.gz NLNUXKFLCRNEAH-UHFFFAOYSA-N 0 0 253.396 3.816 50 0 CHAARN C[C@@H]1c2ccsc2CCN1C(=O)CCc1ccccc1 ZINC000032781385 570409772 /nfs/dbraw/zinc/40/97/72/570409772.db2.gz LEXAQBQFMXCUPJ-CYBMUJFWSA-N 0 0 285.412 3.827 50 0 CHAARN O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1ccccc1 ZINC000032889966 570410088 /nfs/dbraw/zinc/41/00/88/570410088.db2.gz UILYCDYZUAKQRI-CVEARBPZSA-N 0 0 255.361 3.706 50 0 CHAARN O=C(c1ccccc1F)N1CCC(Nc2ccccc2)CC1 ZINC000048292027 570412468 /nfs/dbraw/zinc/41/24/68/570412468.db2.gz WPRAIJZPADLXCR-UHFFFAOYSA-N 0 0 298.361 3.542 50 0 CHAARN COc1ccccc1-c1cnnc(NCc2ccccc2)c1 ZINC000952995817 617312393 /nfs/dbraw/zinc/31/23/93/617312393.db2.gz ZXRIFQDZDJUJQB-UHFFFAOYSA-N 0 0 291.354 3.764 50 0 CHAARN CCC[C@@H](C(=O)Nc1ccc(F)cc1)n1cccc1 ZINC000952962724 614974159 /nfs/dbraw/zinc/97/41/59/614974159.db2.gz JUWVUPPMLPCTFA-AWEZNQCLSA-N 0 0 260.312 3.607 50 0 CHAARN O=C(Cc1ccccc1)OCCCC(F)(F)C(F)(F)F ZINC000002875143 1119120473 /nfs/dbraw/zinc/12/04/73/1119120473.db2.gz KGBOQCGUFVUHBC-UHFFFAOYSA-N 0 0 296.235 3.750 50 0 CHAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)OC(C)C)c12 ZINC000024777634 1125586316 /nfs/dbraw/zinc/58/63/16/1125586316.db2.gz KXKBDQRSSBSGFU-UHFFFAOYSA-N 0 0 296.326 3.763 50 0 CHAARN Cc1cccc(C(=O)Nc2cncc3ccccc32)c1 ZINC000089627845 1129241983 /nfs/dbraw/zinc/24/19/83/1129241983.db2.gz MYSVEZQSGBMZFI-UHFFFAOYSA-N 0 0 262.312 3.796 50 0 CHAARN CCC(CC)c1nnc(NC(=O)/C=C/c2ccco2)s1 ZINC000003558559 1125699149 /nfs/dbraw/zinc/69/91/49/1125699149.db2.gz IQFQTDYPOBRKEW-BQYQJAHWSA-N 0 0 291.376 3.687 50 0 CHAARN CCOC1CC(c2nc(-c3ccc4[nH]ccc4c3)no2)C1 ZINC000809290503 1125732484 /nfs/dbraw/zinc/73/24/84/1125732484.db2.gz RNHBHABPAPXRCT-UHFFFAOYSA-N 0 0 283.331 3.500 50 0 CHAARN CCc1ocnc1C(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000221760461 1125745790 /nfs/dbraw/zinc/74/57/90/1125745790.db2.gz NEGSKHZIHVKLPD-WOLCWHLNSA-N 0 0 296.370 3.555 50 0 CHAARN O=C(/C=C\SCc1ccco1)Nc1cc(F)ccc1O ZINC000221995549 1125762395 /nfs/dbraw/zinc/76/23/95/1125762395.db2.gz DSEZNPYSZUETQO-ALCCZGGFSA-N 0 0 293.319 3.510 50 0 CHAARN C/C=C\CSCc1nnc(-c2cccc(F)c2)o1 ZINC000222077954 1125775078 /nfs/dbraw/zinc/77/50/78/1125775078.db2.gz LNIBVIHVYCVPES-IHWYPQMZSA-N 0 0 264.325 3.685 50 0 CHAARN 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263.381 3.585 50 0 CHAARN CCOC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000000103452 169537238 /nfs/dbraw/zinc/53/72/38/169537238.db2.gz URNAYRDBUUZOIU-LLVKDONJSA-N 0 0 258.317 3.515 50 0 CHAARN O=C1c2ccccc2[C@@H]2CC(c3ccc(Cl)s3)=NN12 ZINC000000101333 169536614 /nfs/dbraw/zinc/53/66/14/169536614.db2.gz UJUZWUTXTPOEFV-NSHDSACASA-N 0 0 288.759 3.706 50 0 CHAARN O=Cc1ccc(OCc2ccccc2Br)cc1 ZINC000000107329 169538199 /nfs/dbraw/zinc/53/81/99/169538199.db2.gz LNIYYHBOWYPIAC-UHFFFAOYSA-N 0 0 291.144 3.841 50 0 CHAARN O=C(Nc1cccc(-c2ncon2)c1)c1ccc(Cl)cc1 ZINC000000106971 169538469 /nfs/dbraw/zinc/53/84/69/169538469.db2.gz OYRIUFPGCPOLDU-UHFFFAOYSA-N 0 0 299.717 3.642 50 0 CHAARN Cc1ccc(CSCC(=O)Nc2ccccc2)cc1 ZINC000000140188 169551385 /nfs/dbraw/zinc/55/13/85/169551385.db2.gz PVMMVJSOUHDUFL-UHFFFAOYSA-N 0 0 271.385 3.867 50 0 CHAARN COC(=O)c1c(N)scc1-c1ccc2c(c1)CCCC2 ZINC000000151387 169555598 /nfs/dbraw/zinc/55/55/98/169555598.db2.gz MVNJKWXUKRBAPH-UHFFFAOYSA-N 0 0 287.384 3.663 50 0 CHAARN Cc1nc(NC(=O)c2cc3ccccc3o2)sc1C ZINC000000150290 169555034 /nfs/dbraw/zinc/55/50/34/169555034.db2.gz OUQPATPKASVHOW-UHFFFAOYSA-N 0 0 272.329 3.758 50 0 CHAARN FC(F)(F)Oc1ccc(-c2noc(C3CCC3)n2)cc1 ZINC000000165913 169560346 /nfs/dbraw/zinc/56/03/46/169560346.db2.gz UFLGNFPHBAWESD-UHFFFAOYSA-N 0 0 284.237 3.903 50 0 CHAARN Cc1ccc(SCCS(=O)(=O)c2ccccc2)cc1 ZINC000000165262 169560454 /nfs/dbraw/zinc/56/04/54/169560454.db2.gz RQKGHVOAQHAONN-UHFFFAOYSA-N 0 0 292.425 3.561 50 0 CHAARN COc1ccc(Cc2nc(C)cc(Cl)n2)cc1Cl ZINC000000186948 169568212 /nfs/dbraw/zinc/56/82/12/169568212.db2.gz RGQCTLXWWDHEQV-UHFFFAOYSA-N 0 0 283.158 3.691 50 0 CHAARN COc1ccccc1C(=O)Nc1cccc2nc(C)ccc21 ZINC000000192765 169569828 /nfs/dbraw/zinc/56/98/28/169569828.db2.gz NKRINXXALBVJDP-UHFFFAOYSA-N 0 0 292.338 3.804 50 0 CHAARN CCCC(=O)N[C@H](C)c1nc2ccccc2n1CC(C)C ZINC000000200869 169572685 /nfs/dbraw/zinc/57/26/85/169572685.db2.gz BNMSMTYJYKEGRD-CYBMUJFWSA-N 0 0 287.407 3.670 50 0 CHAARN CCN(CC)C(=O)Oc1ccnc2cc(Cl)ccc21 ZINC000000197434 169571710 /nfs/dbraw/zinc/57/17/10/169571710.db2.gz SLWVAVRQZLVBAB-UHFFFAOYSA-N 0 0 278.739 3.729 50 0 CHAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 ZINC000000235449 169582341 /nfs/dbraw/zinc/58/23/41/169582341.db2.gz JVGMBZMVICZJCK-UHFFFAOYSA-N 0 0 297.141 3.649 50 0 CHAARN O=C(Nc1nccs1)Nc1ccccc1Br ZINC000000253496 169588161 /nfs/dbraw/zinc/58/81/61/169588161.db2.gz RRLZSUUJSZPHCM-UHFFFAOYSA-N 0 0 298.165 3.550 50 0 CHAARN CCOc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000000240436 169583800 /nfs/dbraw/zinc/58/38/00/169583800.db2.gz MMPGRBFWTQALIM-UHFFFAOYSA-N 0 0 250.301 3.696 50 0 CHAARN O=C(NCc1ccccc1)c1ccc2ccccc2c1 ZINC000000271170 169593463 /nfs/dbraw/zinc/59/34/63/169593463.db2.gz DKPOPWSPIGABJL-UHFFFAOYSA-N 0 0 261.324 3.770 50 0 CHAARN O=C(c1ccc(-c2ccccc2)cc1)n1nnc2ccccc21 ZINC000000293041 169599480 /nfs/dbraw/zinc/59/94/80/169599480.db2.gz FZHIYZAKANBLCK-UHFFFAOYSA-N 0 0 299.333 3.787 50 0 CHAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC1 ZINC000000313604 169605848 /nfs/dbraw/zinc/60/58/48/169605848.db2.gz ZZNKUHDFBXKDMT-UHFFFAOYSA-N 0 0 278.311 3.843 50 0 CHAARN c1c(CSc2nc3ccccc3[nH]2)nc2ccccn12 ZINC000000312839 169605761 /nfs/dbraw/zinc/60/57/61/169605761.db2.gz QPCCHICYWVDJGY-UHFFFAOYSA-N 0 0 280.356 3.503 50 0 CHAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccnc(C(C)(C)C)c1 ZINC000000347174 169613130 /nfs/dbraw/zinc/61/31/30/169613130.db2.gz BDAXFJGQSUONGZ-CYBMUJFWSA-N 0 0 294.398 3.971 50 0 CHAARN O=C1OC(c2ccccc2)=N[C@]12C[C@@H]2c1ccc(Cl)cc1 ZINC000000356613 169616262 /nfs/dbraw/zinc/61/62/62/169616262.db2.gz ASJFWVSQCXWGOU-PBHICJAKSA-N 0 0 297.741 3.570 50 0 CHAARN CC(C)CC(=O)Oc1ccc(O)c(C(C)(C)C)c1 ZINC000000363876 169618040 /nfs/dbraw/zinc/61/80/40/169618040.db2.gz SRQHHSCZCNPQOF-UHFFFAOYSA-N 0 0 250.338 3.641 50 0 CHAARN Cc1ccc(SCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000000379595 169623801 /nfs/dbraw/zinc/62/38/01/169623801.db2.gz LLLMPTXKIGLDPC-CQSZACIVSA-N 0 0 285.412 3.965 50 0 CHAARN Cc1nnc(SCC(=O)c2c(C)cc(C)cc2C)s1 ZINC000000382008 169624072 /nfs/dbraw/zinc/62/40/72/169624072.db2.gz UVBVSMRNEHTKCD-UHFFFAOYSA-N 0 0 292.429 3.747 50 0 CHAARN CN(C(=O)c1cc(F)c(Cl)nc1Cl)c1ccccc1 ZINC000000385150 169625640 /nfs/dbraw/zinc/62/56/40/169625640.db2.gz CZYFAGFHANQGGT-UHFFFAOYSA-N 0 0 299.132 3.804 50 0 CHAARN CCc1ccc2oc(C(=O)NCc3ccncc3)c(C)c2c1 ZINC000000387725 169626721 /nfs/dbraw/zinc/62/67/21/169626721.db2.gz BZBOGASGNISDCM-UHFFFAOYSA-N 0 0 294.354 3.629 50 0 CHAARN O=C(NCc1ccccc1Cl)c1ccccc1Cl ZINC000000395865 169629228 /nfs/dbraw/zinc/62/92/28/169629228.db2.gz AFTFEXOMQDSVDY-UHFFFAOYSA-N 0 0 280.154 3.923 50 0 CHAARN O=C(NCc1cccc(Cl)c1)Nc1ccccc1 ZINC000000397521 169630039 /nfs/dbraw/zinc/63/00/39/169630039.db2.gz QEYJICQWLSFSMO-UHFFFAOYSA-N 0 0 260.724 3.662 50 0 CHAARN Cc1ccc(NC(=O)N(C)Cc2ccco2)cc1Cl ZINC000000398397 169630386 /nfs/dbraw/zinc/63/03/86/169630386.db2.gz KVWMJDDPTGZZDK-UHFFFAOYSA-N 0 0 278.739 3.905 50 0 CHAARN COc1ccc(NC(=O)Nc2ccc(C)cc2)cc1 ZINC000000406469 169632304 /nfs/dbraw/zinc/63/23/04/169632304.db2.gz MESZMFJIBADYLT-UHFFFAOYSA-N 0 0 256.305 3.648 50 0 CHAARN O=C(Nc1ccc(F)c(Cl)c1)c1noc2c1CCCC2 ZINC000000426338 169637600 /nfs/dbraw/zinc/63/76/00/169637600.db2.gz ZXSQHXQQMWZWLG-UHFFFAOYSA-N 0 0 294.713 3.598 50 0 CHAARN CCc1ccc(-c2c(C)sc(N)c2C(=O)OC)cc1 ZINC000000442681 169641918 /nfs/dbraw/zinc/64/19/18/169641918.db2.gz LPKMNMLKXYDWMD-UHFFFAOYSA-N 0 0 275.373 3.655 50 0 CHAARN CCC(CC)NC(=O)c1cc(Cl)ccc1Cl ZINC000000456380 169645526 /nfs/dbraw/zinc/64/55/26/169645526.db2.gz ILXZGYUXYFSXFN-UHFFFAOYSA-N 0 0 260.164 3.912 50 0 CHAARN CO[C@H](C(=O)Nc1cc(Cl)ccc1C)c1ccccc1 ZINC000000453565 169644388 /nfs/dbraw/zinc/64/43/88/169644388.db2.gz LIXNPDJPMCSMCY-HNNXBMFYSA-N 0 0 289.762 3.975 50 0 CHAARN CC(C)c1ccc(/C=C/C(=O)NCc2ccccn2)cc1 ZINC000000476367 169651197 /nfs/dbraw/zinc/65/11/97/169651197.db2.gz CHQQGABUJDWIPI-DHZHZOJOSA-N 0 0 280.371 3.535 50 0 CHAARN O=C1CCCCCCCCCCC(=O)OCCC1 ZINC000004026344 184529327 /nfs/dbraw/zinc/52/93/27/184529327.db2.gz QFRZEGADDLNLLM-UHFFFAOYSA-N 0 0 254.370 3.794 50 0 biogenic CHAARN CCC(CC)C(=O)NCc1ccc2c(cc(C)n2C)c1 ZINC000004057602 184530792 /nfs/dbraw/zinc/53/07/92/184530792.db2.gz BMBUAGHYIDMJNF-UHFFFAOYSA-N 0 0 272.392 3.539 50 0 CHAARN O=C(CCc1ccco1)Nc1nc2ccc(F)cc2s1 ZINC000009315708 184533288 /nfs/dbraw/zinc/53/32/88/184533288.db2.gz XZZLYTSNGNLYHH-UHFFFAOYSA-N 0 0 290.319 3.600 50 0 CHAARN CC(C)CNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000000483272 169653112 /nfs/dbraw/zinc/65/31/12/169653112.db2.gz JOFJJLWKHPYOLP-UHFFFAOYSA-N 0 0 294.354 3.881 50 0 CHAARN CCNC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000000483784 169653621 /nfs/dbraw/zinc/65/36/21/169653621.db2.gz LZEXAXRBGRAXMT-OAHLLOKOSA-N 0 0 271.385 3.656 50 0 CHAARN CC(C)(C)OC(=O)Nc1cc(Br)cs1 ZINC000066055047 184570227 /nfs/dbraw/zinc/57/02/27/184570227.db2.gz QNGTVGAIEOIQBR-UHFFFAOYSA-N 0 0 278.171 3.858 50 0 CHAARN O=C1C[C@H](c2ccccc2Cl)c2ccc(O)cc2N1 ZINC000066089325 184570343 /nfs/dbraw/zinc/57/03/43/184570343.db2.gz MFVFAMJUAJMUMQ-GFCCVEGCSA-N 0 0 273.719 3.520 50 0 CHAARN COC[C@H](C)S[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000085228770 184606644 /nfs/dbraw/zinc/60/66/44/184606644.db2.gz NRDRGRZXSBORDW-VHSXEESVSA-N 0 0 257.399 3.801 50 0 CHAARN CC(C)Sc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000000506854 169658627 /nfs/dbraw/zinc/65/86/27/169658627.db2.gz RRDPBFMXVXYHPR-MRVPVSSYSA-N 0 0 293.461 3.899 50 0 CHAARN Cc1ccc(C)c(C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000000514733 169660069 /nfs/dbraw/zinc/66/00/69/169660069.db2.gz MUXWSLXCUOKHJL-AWEZNQCLSA-N 0 0 253.345 3.794 50 0 CHAARN c1ccc(-c2nn3c(nnc3C3CCCCC3)s2)cc1 ZINC000000524025 169662129 /nfs/dbraw/zinc/66/21/29/169662129.db2.gz CTXJXISVBMNYFP-UHFFFAOYSA-N 0 0 284.388 3.901 50 0 aggregator CHAARN CCn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000000520919 169661202 /nfs/dbraw/zinc/66/12/02/169661202.db2.gz WSEIMIJKCZKCLO-UHFFFAOYSA-N 0 0 294.398 3.688 50 0 CHAARN Cc1nc(SCc2ccccc2)nc2c1CCCC2 ZINC000000532386 169663623 /nfs/dbraw/zinc/66/36/23/169663623.db2.gz KJZUEFQOKIXDIC-UHFFFAOYSA-N 0 0 270.401 3.956 50 0 CHAARN O=C(C[C@H](c1ccsc1)n1cccc1)Nc1cccnc1 ZINC000524732291 256784824 /nfs/dbraw/zinc/78/48/24/256784824.db2.gz HCDHROPYJMYNEY-OAHLLOKOSA-N 0 0 297.383 3.563 50 0 CHAARN CCc1ccccc1NC(=O)[C@@H](C)c1ccccc1 ZINC000096318518 256889003 /nfs/dbraw/zinc/88/90/03/256889003.db2.gz GLEHEZLAHDNSPP-ZDUSSCGKSA-N 0 0 253.345 3.991 50 0 CHAARN CCCOc1ccccc1C(=O)NC1CCCCC1 ZINC000008560975 260031587 /nfs/dbraw/zinc/03/15/87/260031587.db2.gz RUMHUBMRTOBWSD-UHFFFAOYSA-N 0 0 261.365 3.538 50 0 CHAARN Cc1cc(C)n(-c2cc(C)c(C)cc2Br)n1 ZINC000000619257 169676665 /nfs/dbraw/zinc/67/66/65/169676665.db2.gz WRKBRXXNKGQSEQ-UHFFFAOYSA-N 0 0 279.181 3.868 50 0 CHAARN CCC(CC)c1nnc(NC(=O)c2ccccc2)s1 ZINC000000804629 169679088 /nfs/dbraw/zinc/67/90/88/169679088.db2.gz HBFDCDMTJROYIK-UHFFFAOYSA-N 0 0 275.377 3.694 50 0 CHAARN O[C@H]1C=C(c2ccccc2)Sc2nc3ccccc3n21 ZINC000001070320 169689530 /nfs/dbraw/zinc/68/95/30/169689530.db2.gz SDSKRKVDMRVPLW-HNNXBMFYSA-N 0 0 280.352 3.674 50 0 CHAARN CCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000000975714 169683935 /nfs/dbraw/zinc/68/39/35/169683935.db2.gz DLWZQPVPSMYGCG-FLIBITNWSA-N 0 0 281.764 3.786 50 0 CHAARN O=Cc1ccc(-c2ccc(Br)cc2)cc1 ZINC000001257486 169693030 /nfs/dbraw/zinc/69/30/30/169693030.db2.gz AZDGDDGUHUQQMO-UHFFFAOYSA-N 0 0 261.118 3.929 50 0 CHAARN O=C(Cc1ccc(F)c(F)c1)c1ccccc1F ZINC000095052139 184925641 /nfs/dbraw/zinc/92/56/41/184925641.db2.gz GETHIDIBVZFSHH-UHFFFAOYSA-N 0 0 250.219 3.529 50 0 CHAARN O=C(NCc1c[nH]c2ccccc12)c1c[nH]c2ccccc12 ZINC000095217992 184947202 /nfs/dbraw/zinc/94/72/02/184947202.db2.gz GVFJQHBQTYATMA-UHFFFAOYSA-N 0 0 289.338 3.579 50 0 CHAARN CC(C)(C)C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000001384027 169697641 /nfs/dbraw/zinc/69/76/41/169697641.db2.gz NIPWHAXWOAXJRA-UHFFFAOYSA-N 0 0 284.281 3.670 50 0 CHAARN COc1ccc(COC(=O)N/C=C/c2ccc(C)cc2)cc1 ZINC000001388871 169699168 /nfs/dbraw/zinc/69/91/68/169699168.db2.gz PXBOUSFTLCPDNW-VAWYXSNFSA-N 0 0 297.354 3.901 50 0 CHAARN CN(Cc1ccc(-n2ccnc2)c(F)c1)c1ccccc1 ZINC000095456989 184992089 /nfs/dbraw/zinc/99/20/89/184992089.db2.gz ZTJJGNLPHPQCEH-UHFFFAOYSA-N 0 0 281.334 3.648 50 0 CHAARN COc1cccc2cc(C(=O)c3ccccc3)oc21 ZINC000001403879 169703090 /nfs/dbraw/zinc/70/30/90/169703090.db2.gz OGCYVVHVSQTTIK-UHFFFAOYSA-N 0 0 252.269 3.672 50 0 CHAARN O=Cc1ccc2cccc(OCc3ccccc3)c2n1 ZINC000001462872 169707945 /nfs/dbraw/zinc/70/79/45/169707945.db2.gz DNRDUAQLBRLDGI-UHFFFAOYSA-N 0 0 263.296 3.626 50 0 CHAARN COc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000471207 533636896 /nfs/dbraw/zinc/63/68/96/533636896.db2.gz SWYHVSWQJBGHCA-UHFFFAOYSA-N 0 0 290.750 3.670 50 0 CHAARN CC(C)c1nnsc1CN1CCC[C@@H]1c1ccco1 ZINC000243893019 131083518 /nfs/dbraw/zinc/08/35/18/131083518.db2.gz ANMXJYRGFKULOY-LLVKDONJSA-N 0 0 277.393 3.592 50 0 CHAARN O=C(Nc1ccc(F)cc1F)N1CCCc2ccccc21 ZINC000000287205 134524591 /nfs/dbraw/zinc/52/45/91/134524591.db2.gz ITLQFKWQYIQDNL-UHFFFAOYSA-N 0 0 288.297 3.950 50 0 CHAARN C[C@@H]1CCc2c(sc3ncnc(N4CCCCC4)c23)C1 ZINC000000383338 134526084 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566847305 /nfs/dbraw/zinc/84/73/05/566847305.db2.gz CAVCZXPYJVHLJO-AWEZNQCLSA-N 0 0 263.406 3.896 50 0 CHAARN Cc1cc(C)cc(N[C@@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000012555097 566848465 /nfs/dbraw/zinc/84/84/65/566848465.db2.gz XTBRFCQVAOCEFM-GOSISDBHSA-N 0 0 294.398 3.735 50 0 CHAARN CSc1cccc(NC(=O)c2cccnc2SC)c1 ZINC000003329772 566850522 /nfs/dbraw/zinc/85/05/22/566850522.db2.gz PIPYFWBPXRFAEW-UHFFFAOYSA-N 0 0 290.413 3.778 50 0 CHAARN C[C@@H](Sc1nc2ccccc2n1C)C(=O)c1ccccc1 ZINC000012556726 566850602 /nfs/dbraw/zinc/85/06/02/566850602.db2.gz MNAOCFLJVMWGQP-GFCCVEGCSA-N 0 0 296.395 3.937 50 0 CHAARN CCC[C@@H](C)NC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000003330497 566850707 /nfs/dbraw/zinc/85/07/07/566850707.db2.gz WDWPJICBOKQJCK-GFCCVEGCSA-N 0 0 282.387 3.642 50 0 CHAARN O=C(CCc1c[nH]c2ccccc12)NC1CCCCC1 ZINC000012551985 566850937 /nfs/dbraw/zinc/85/09/37/566850937.db2.gz YYTGTDBQRXYPRA-UHFFFAOYSA-N 0 0 270.376 3.549 50 0 CHAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1 ZINC000003292662 566850979 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Cc1cc(C)cc(Oc2cc(CNC(=O)C(C)C)ccn2)c1 ZINC000036395978 567000891 /nfs/dbraw/zinc/00/08/91/567000891.db2.gz OHFHRNWTJCPTAX-UHFFFAOYSA-N 0 0 298.386 3.763 50 0 CHAARN Cc1cnc(NC(=O)c2cc(-c3ccc(C)cc3)no2)s1 ZINC000036391394 567001947 /nfs/dbraw/zinc/00/19/47/567001947.db2.gz UXGHHSFSNWXZFO-UHFFFAOYSA-N 0 0 299.355 3.667 50 0 CHAARN O=C(Nc1ccc(F)cc1)N1CCC(=C2CC2)CC1 ZINC000238844600 567005763 /nfs/dbraw/zinc/00/57/63/567005763.db2.gz IBVAAOUFIXEASF-UHFFFAOYSA-N 0 0 260.312 3.544 50 0 CHAARN Cc1ccccc1-c1cccc(C[NH2+][C@H](C(=O)[O-])C(C)C)c1 ZINC000170090838 567006330 /nfs/dbraw/zinc/00/63/30/567006330.db2.gz CHBNWECUQHGANT-SFHVURJKSA-N 0 0 297.398 3.861 50 0 CHAARN Cc1ccc(NC(=O)N2CCC(=C3CC3)CC2)cc1 ZINC000238945997 567007721 /nfs/dbraw/zinc/00/77/21/567007721.db2.gz WLEIXEBEGCRSAM-UHFFFAOYSA-N 0 0 256.349 3.713 50 0 CHAARN O=C(c1cc2ccccc2o1)N1CCC(=C2CC2)CC1 ZINC000238958736 567007853 /nfs/dbraw/zinc/00/78/53/567007853.db2.gz YFSXRFBIDRHTIO-UHFFFAOYSA-N 0 0 267.328 3.759 50 0 CHAARN 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O=C(Nc1ccccc1Oc1ccccc1)c1ccno1 ZINC000010254041 567017067 /nfs/dbraw/zinc/01/70/67/567017067.db2.gz JSBLUXHPKXZLNY-UHFFFAOYSA-N 0 0 280.283 3.719 50 0 CHAARN O=C(Nc1ccc2ncsc2c1)c1ccc(F)cc1 ZINC000010217155 567017982 /nfs/dbraw/zinc/01/79/82/567017982.db2.gz TYCSVCFKUXFJSL-UHFFFAOYSA-N 0 0 272.304 3.688 50 0 CHAARN CC[C@@H]1CCCCN1C(=O)Nc1cc(OC)ccc1OC ZINC000013320379 567018088 /nfs/dbraw/zinc/01/80/88/567018088.db2.gz FJPDGYOQBLRWTB-GFCCVEGCSA-N 0 0 292.379 3.500 50 0 CHAARN C[C@@H](NC(=O)NC1CCCC1)c1ccc(Cl)s1 ZINC000013744946 567020733 /nfs/dbraw/zinc/02/07/33/567020733.db2.gz NITMDVOICRJBOL-MRVPVSSYSA-N 0 0 272.801 3.704 50 0 CHAARN CCn1nc(C)cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000013699979 567021028 /nfs/dbraw/zinc/02/10/28/567021028.db2.gz AFVXQBVFVCXEHM-UHFFFAOYSA-N 0 0 298.173 3.771 50 0 CHAARN Cc1occc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000089869855 567027597 /nfs/dbraw/zinc/02/75/97/567027597.db2.gz VMIQFYHWRDZZTI-UHFFFAOYSA-N 0 0 295.342 3.604 50 0 CHAARN CC[C@H](C)C(=O)NC[C@H]1[C@H](c2ccccc2)C1(C)C ZINC000089942155 567029899 /nfs/dbraw/zinc/02/98/99/567029899.db2.gz WBGIZIRNJSYUAK-QEJZJMRPSA-N 0 0 259.393 3.589 50 0 CHAARN FC(F)(F)c1ccc2sc(Nc3cn[nH]c3)nc2c1 ZINC000076062676 567031471 /nfs/dbraw/zinc/03/14/71/567031471.db2.gz NSSKEMMHPYTNSH-UHFFFAOYSA-N 0 0 284.266 3.782 50 0 CHAARN O=C(CC1=CCCCC1)N1CCC[C@@H]1c1ccncc1 ZINC000084615114 567033383 /nfs/dbraw/zinc/03/33/83/567033383.db2.gz FFAIAOCJYRYHAC-MRXNPFEDSA-N 0 0 270.376 3.636 50 0 CHAARN CSC[C@H](C)NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000170632990 567033354 /nfs/dbraw/zinc/03/33/54/567033354.db2.gz LDPWSIKQTMFAND-RWMBFGLXSA-N 0 0 271.470 3.707 50 0 CHAARN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@H]1c1ccncc1 ZINC000084490474 567033407 /nfs/dbraw/zinc/03/34/07/567033407.db2.gz XTSLBIOIUIBAOH-KRWDZBQOSA-N 0 0 291.354 3.540 50 0 CHAARN COc1ccccc1[S@@](=O)c1c(C)cc(C)cc1C ZINC000017186002 567035020 /nfs/dbraw/zinc/03/50/20/567035020.db2.gz DBNVRABVHLSFSH-IBGZPJMESA-N 0 0 274.385 3.787 50 0 CHAARN Cc1nnc(SCC(=O)c2ccc(C(C)C)cc2)s1 ZINC000002871647 567037308 /nfs/dbraw/zinc/03/73/08/567037308.db2.gz RXLQCIXZUVOSII-UHFFFAOYSA-N 0 0 292.429 3.945 50 0 CHAARN Cc1nccc(NC(=O)c2cccc3ncccc32)c1Cl ZINC000096008242 567041120 /nfs/dbraw/zinc/04/11/20/567041120.db2.gz HTKPSRWZCMPCAM-UHFFFAOYSA-N 0 0 297.745 3.844 50 0 CHAARN CCO[C@@H]1C[C@H](N(C)C(=O)OC(C)(C)C)C12CCCC2 ZINC000170637324 567042767 /nfs/dbraw/zinc/04/27/67/567042767.db2.gz GGQRZRHTSVASLX-QWHCGFSZSA-N 0 0 283.412 3.591 50 0 CHAARN Cc1ccc(CNc2ncnc3ccc(C)cc32)cc1 ZINC000170638200 567042800 /nfs/dbraw/zinc/04/28/00/567042800.db2.gz GIHRSBZQEUUCDU-UHFFFAOYSA-N 0 0 263.344 3.859 50 0 CHAARN CN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1CCC1 ZINC000170640624 567043412 /nfs/dbraw/zinc/04/34/12/567043412.db2.gz MRPAQVPIIBFCSF-UHFFFAOYSA-N 0 0 261.409 3.604 50 0 CHAARN CC[C@](C)(C(=O)Nc1ccccc1)c1ccccc1 ZINC000000393415 567053830 /nfs/dbraw/zinc/05/38/30/567053830.db2.gz KKWLDCKDVWFNIU-KRWDZBQOSA-N 0 0 253.345 3.993 50 0 CHAARN Cc1ccc(Cl)cc1NC(=O)OCc1ccco1 ZINC000000397348 567053955 /nfs/dbraw/zinc/05/39/55/567053955.db2.gz KMSIOMNEFYGIED-UHFFFAOYSA-N 0 0 265.696 3.990 50 0 CHAARN O[C@H](c1ccccc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000000397397 567054653 /nfs/dbraw/zinc/05/46/53/567054653.db2.gz SDKXHBTUGXKPRG-RBUKOAKNSA-N 0 0 275.351 3.947 50 0 CHAARN Fc1ccc([C@H]2C[C@@H]2c2nc(-c3ccncc3)no2)c(F)c1 ZINC000193198361 567054898 /nfs/dbraw/zinc/05/48/98/567054898.db2.gz SKMHHLPWFCRLEH-OLZOCXBDSA-N 0 0 299.280 3.681 50 0 CHAARN CCc1occc1C(=O)Nc1c[nH]nc1-c1ccccc1F ZINC000252488165 567057666 /nfs/dbraw/zinc/05/76/66/567057666.db2.gz IMGDHAXFJRTHEU-UHFFFAOYSA-N 0 0 299.305 3.624 50 0 CHAARN COc1c2ccccc2oc1C(=O)NC1CCCCC1 ZINC000252479992 567057974 /nfs/dbraw/zinc/05/79/74/567057974.db2.gz BRIMBIKWWOUIPQ-UHFFFAOYSA-N 0 0 273.332 3.504 50 0 CHAARN CO[C@H](C)c1nsc(Oc2ccc3ncccc3c2)n1 ZINC000252490468 567057984 /nfs/dbraw/zinc/05/79/84/567057984.db2.gz KUGYKYZSUGSCOU-SECBINFHSA-N 0 0 287.344 3.586 50 0 CHAARN O=C1[C@H](c2ccccc2)c2ccccc2N1N1CCCCC1 ZINC000101363279 567058580 /nfs/dbraw/zinc/05/85/80/567058580.db2.gz CHRJPCZVHLAIOQ-GOSISDBHSA-N 0 0 292.382 3.566 50 0 CHAARN CC(C)N(C(=O)c1coc(CC2CC2)n1)C1CCCCC1 ZINC000193558497 567059595 /nfs/dbraw/zinc/05/95/95/567059595.db2.gz CUOVIFZIFQMBDN-UHFFFAOYSA-N 0 0 290.407 3.810 50 0 CHAARN COc1ccc(CCCNc2ncnc3ccccc32)cc1 ZINC000170646421 567062297 /nfs/dbraw/zinc/06/22/97/567062297.db2.gz QSLDUKQQSNUTEO-UHFFFAOYSA-N 0 0 293.370 3.683 50 0 CHAARN C[C@H](CCN(C)Cc1nccn1C(F)F)c1ccccc1 ZINC000193706216 567062430 /nfs/dbraw/zinc/06/24/30/567062430.db2.gz DPUAVHSMYWURAD-CYBMUJFWSA-N 0 0 293.361 3.904 50 0 CHAARN COc1ccc(CNc2ncnc3ccc(C)cc32)c(C)c1 ZINC000170669875 567065113 /nfs/dbraw/zinc/06/51/13/567065113.db2.gz CTAAPRXIZKMKGE-UHFFFAOYSA-N 0 0 293.370 3.867 50 0 CHAARN CCN(CC)C(=O)C[C@@H](c1ccc(OC)cc1)C(C)C ZINC000002212116 567068143 /nfs/dbraw/zinc/06/81/43/567068143.db2.gz ZLUYGCPLVIUJGM-MRXNPFEDSA-N 0 0 277.408 3.693 50 0 CHAARN COc1cccc2c(SCc3cc(C)on3)ccnc12 ZINC000195571483 567069803 /nfs/dbraw/zinc/06/98/03/567069803.db2.gz JQHWDDMXYIOWIE-UHFFFAOYSA-N 0 0 286.356 3.832 50 0 CHAARN C[S@](=O)Cc1cccc(N[C@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000195548574 567069976 /nfs/dbraw/zinc/06/99/76/567069976.db2.gz JZUJXHILRZARIQ-SYNHAJSKSA-N 0 0 291.460 3.946 50 0 CHAARN CCCCN1C(=O)N(c2ccccc2)[C@](C)(O)CC1(C)C ZINC000002271043 567074579 /nfs/dbraw/zinc/07/45/79/567074579.db2.gz XEDKULSOWNZTTD-QGZVFWFLSA-N 0 0 290.407 3.606 50 0 CHAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)SC ZINC000298395485 567074917 /nfs/dbraw/zinc/07/49/17/567074917.db2.gz GKOSLJWOKNVXSW-QWRGUYRKSA-N 0 0 251.395 3.890 50 0 CHAARN COC(=O)c1cc(Br)c2ccccc2c1C ZINC000113376763 567085115 /nfs/dbraw/zinc/08/51/15/567085115.db2.gz HPSGYXGKKXPZNY-UHFFFAOYSA-N 0 0 279.133 3.697 50 0 CHAARN c1ccc([C@@H]2Nc3ccccc3[C@@H]3OCC[C@H]32)cc1 ZINC000012661678 567088887 /nfs/dbraw/zinc/08/88/87/567088887.db2.gz LZVNOMSZAGXFQZ-XIRDDKMYSA-N 0 0 251.329 3.931 50 0 biogenic CHAARN Cc1nc(C)c(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)o1 ZINC000073057445 567091557 /nfs/dbraw/zinc/09/15/57/567091557.db2.gz BMKRIEHGMMMVFA-JKSUJKDBSA-N 0 0 298.386 3.748 50 0 CHAARN OCc1cc(C2CC2)c(OC(F)(F)F)c(C2CC2)c1 ZINC000114358197 567093460 /nfs/dbraw/zinc/09/34/60/567093460.db2.gz OUNIAURQBHFYEW-UHFFFAOYSA-N 0 0 272.266 3.832 50 0 CHAARN CC(F)(F)CC(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000253433428 567100252 /nfs/dbraw/zinc/10/02/52/567100252.db2.gz WTCZFVKQBOCBRG-ZDUSSCGKSA-N 0 0 285.309 3.925 50 0 CHAARN O=P1(Nc2ccc(F)cc2)COc2ccccc2OC1 ZINC000002330030 567100694 /nfs/dbraw/zinc/10/06/94/567100694.db2.gz RDFQSSDFTVUAKJ-UHFFFAOYSA-N 0 0 293.234 3.902 50 0 CHAARN CCCC[C@@]1(CC)NC(=S)N(c2ccc(C)c(C)c2)N1 ZINC000002336368 567100857 /nfs/dbraw/zinc/10/08/57/567100857.db2.gz LBZQMIJLGUMNPB-INIZCTEOSA-N 0 0 291.464 3.799 50 0 CHAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)cc1F ZINC000012552895 567106442 /nfs/dbraw/zinc/10/64/42/567106442.db2.gz RKZKVRVMNPHKLL-MRXNPFEDSA-N 0 0 284.334 3.506 50 0 CHAARN Fc1ccc(Br)c(COCC(F)(F)F)c1 ZINC000230532785 567107919 /nfs/dbraw/zinc/10/79/19/567107919.db2.gz MMVYBHYVXBSNRH-UHFFFAOYSA-N 0 0 287.050 3.667 50 0 CHAARN Fc1c2cnn([C@@H]3CCCCO3)c2ccc1Br ZINC000114546315 567113236 /nfs/dbraw/zinc/11/32/36/567113236.db2.gz DRLHSRHZYBZJMB-NSHDSACASA-N 0 0 299.143 3.637 50 0 CHAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnsn1 ZINC000012289017 567114663 /nfs/dbraw/zinc/11/46/63/567114663.db2.gz MJZUGUPBJNZJNX-UHFFFAOYSA-N 0 0 297.339 3.583 50 0 CHAARN C=CC(=O)N1CCCC[C@H]1c1nc(C(C)(C)C)cs1 ZINC000328599954 567118432 /nfs/dbraw/zinc/11/84/32/567118432.db2.gz UWLODNCLQQBDBI-NSHDSACASA-N 0 0 278.421 3.680 50 0 CHAARN CC(C)c1ccc(C2N3CC4(C)CN2CC(C)(C3)C4)cc1 ZINC000019322369 567120099 /nfs/dbraw/zinc/12/00/99/567120099.db2.gz HNYLDXMXWHFACH-UHFFFAOYSA-N 0 0 284.447 3.856 50 0 biogenic CHAARN CCc1ccc(-c2nc3c[nH]n(C(C)C)c-3n2)cc1 ZINC000019720660 567121961 /nfs/dbraw/zinc/12/19/61/567121961.db2.gz DZMWTCHJXJARHG-UHFFFAOYSA-N 0 0 254.337 3.570 50 0 CHAARN CC(C)CCNC(=O)Cc1cn(C(C)C)c2ccccc12 ZINC000079192082 567123652 /nfs/dbraw/zinc/12/36/52/567123652.db2.gz MYBREKDJSWIDKN-UHFFFAOYSA-N 0 0 286.419 3.927 50 0 biogenic CHAARN CC(C)C[C@H]1SCC(=O)Nc2c1cnn2C(C)C ZINC000079481766 567123701 /nfs/dbraw/zinc/12/37/01/567123701.db2.gz VNGCDHWREZEFKO-LLVKDONJSA-N 0 0 267.398 3.886 50 0 CHAARN COc1ccncc1NC(=O)c1csc2ccccc12 ZINC000390834553 567126349 /nfs/dbraw/zinc/12/63/49/567126349.db2.gz CHYTTXNPFQBDLJ-UHFFFAOYSA-N 0 0 284.340 3.557 50 0 CHAARN CCc1nc(C)c(-c2nc(-c3cccc4[nH]ccc43)no2)o1 ZINC000020119158 567126895 /nfs/dbraw/zinc/12/68/95/567126895.db2.gz XAAMKPRNBWDWJY-UHFFFAOYSA-N 0 0 294.314 3.744 50 0 CHAARN C[C@H](c1noc([C@@H]2C[C@@H]2c2ccc(C#N)cc2)n1)C1CC1 ZINC000390833258 567127015 /nfs/dbraw/zinc/12/70/15/567127015.db2.gz FILJFCNZAOGABY-COLVAYQJSA-N 0 0 279.343 3.726 50 0 CHAARN CCc1oc(C(=O)N([C@@H](C)c2ccccn2)C2CC2)cc1C ZINC000095414651 567128176 /nfs/dbraw/zinc/12/81/76/567128176.db2.gz IGEPESZIFHWUSB-ZDUSSCGKSA-N 0 0 298.386 3.911 50 0 CHAARN C[C@H](CC(=O)O[C@H](C)c1nc2ccccc2[nH]1)C1CC1 ZINC000095392633 567129165 /nfs/dbraw/zinc/12/91/65/567129165.db2.gz YERIVVDVYXTFMF-GHMZBOCLSA-N 0 0 272.348 3.603 50 0 CHAARN Cc1nccn1-c1ncccc1NCc1ccc(C)cc1C ZINC000095352903 567129788 /nfs/dbraw/zinc/12/97/88/567129788.db2.gz JYCFBRTWQJGPPJ-UHFFFAOYSA-N 0 0 292.386 3.805 50 0 CHAARN Cc1cc(C)n(Cc2cccc(NCc3cscn3)c2)n1 ZINC000095429074 567130608 /nfs/dbraw/zinc/13/06/08/567130608.db2.gz OYEOUBIRLDITDV-UHFFFAOYSA-N 0 0 298.415 3.617 50 0 CHAARN Cc1c(NCc2cccnc2)cccc1OC(F)F ZINC000095429004 567130630 /nfs/dbraw/zinc/13/06/30/567130630.db2.gz MWXPOOUZDIKHMJ-UHFFFAOYSA-N 0 0 264.275 3.604 50 0 CHAARN CCc1cc(CN[C@@H](C)c2cc(Cl)ccc2OC)on1 ZINC000095423062 567131930 /nfs/dbraw/zinc/13/19/30/567131930.db2.gz YCJXPQUSUNZGKJ-JTQLQIEISA-N 0 0 294.782 3.750 50 0 CHAARN Cn1cc(CNc2ccc(SC(C)(C)C)cc2)cn1 ZINC000095429011 567131845 /nfs/dbraw/zinc/13/18/45/567131845.db2.gz VEMYQDJKLRARPX-UHFFFAOYSA-N 0 0 275.421 3.923 50 0 CHAARN CSc1ccc(NCc2scnc2C)cc1F ZINC000095429289 567132516 /nfs/dbraw/zinc/13/25/16/567132516.db2.gz CANLJEZAPXJQPD-UHFFFAOYSA-N 0 0 268.382 3.925 50 0 CHAARN c1coc(CNc2cccc(-c3n[nH]c(C4CC4)n3)c2)c1 ZINC000095440185 567133878 /nfs/dbraw/zinc/13/38/78/567133878.db2.gz GMLQLBOTWGEMAL-UHFFFAOYSA-N 0 0 280.331 3.554 50 0 CHAARN CCCOc1ccccc1NC(=O)[C@H](OC)c1ccccc1 ZINC000095436645 567134634 /nfs/dbraw/zinc/13/46/34/567134634.db2.gz WOUJSCRQPBDCIE-QGZVFWFLSA-N 0 0 299.370 3.802 50 0 CHAARN Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C1CC1 ZINC000095436509 567134672 /nfs/dbraw/zinc/13/46/72/567134672.db2.gz SMCNDHQCZVTRRE-UHFFFAOYSA-N 0 0 290.363 3.691 50 0 CHAARN Cc1nc2ccc(Br)cc2n1C(C)(C)C ZINC000095629693 567136451 /nfs/dbraw/zinc/13/64/51/567136451.db2.gz SWXZXPZZABCIAC-UHFFFAOYSA-N 0 0 267.170 3.862 50 0 CHAARN O=C(CCCc1cccs1)N1CC2(C1)CCCCC2 ZINC000095468767 567136540 /nfs/dbraw/zinc/13/65/40/567136540.db2.gz CCDPZGORGKFKJJ-UHFFFAOYSA-N 0 0 277.433 3.864 50 0 CHAARN CC(=O)Nc1cccc(Cn2ccnc2-c2cccs2)c1 ZINC000097037364 567144214 /nfs/dbraw/zinc/14/42/14/567144214.db2.gz GCBJVUMLUVGSRR-UHFFFAOYSA-N 0 0 297.383 3.618 50 0 CHAARN O=C(NCc1cccnc1-c1ccsc1)[C@H]1CC=CCC1 ZINC000225645564 567145928 /nfs/dbraw/zinc/14/59/28/567145928.db2.gz FSMXNJALCLEQCJ-ZDUSSCGKSA-N 0 0 298.411 3.783 50 0 CHAARN CCNc1c2ccccc2nc2c1C(=O)CC(C)(C)C2 ZINC000002476635 567147118 /nfs/dbraw/zinc/14/71/18/567147118.db2.gz LGKXKXHLMZBIGB-UHFFFAOYSA-N 0 0 268.360 3.822 50 0 biogenic CHAARN CCNC(=S)Nc1ccccc1Cc1ccccc1 ZINC000002646548 567151203 /nfs/dbraw/zinc/15/12/03/567151203.db2.gz RPLSNHMOTHMASY-UHFFFAOYSA-N 0 0 270.401 3.584 50 0 CHAARN C[C@@H]1CCc2nc(NC(=O)Cc3cccs3)sc2C1 ZINC000002841221 567152471 /nfs/dbraw/zinc/15/24/71/567152471.db2.gz KQPCZFONEGBNHT-SECBINFHSA-N 0 0 292.429 3.511 50 0 CHAARN CCc1ccc(N[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000028875099 567153066 /nfs/dbraw/zinc/15/30/66/567153066.db2.gz IFTGPQGROJABMB-HUUCEWRRSA-N 0 0 296.414 3.927 50 0 CHAARN CCC(CC)c1nnc(NC(=O)[C@@H]2CC=CCC2)s1 ZINC000057329304 567154612 /nfs/dbraw/zinc/15/46/12/567154612.db2.gz FVKGXIAQIXTDEZ-LLVKDONJSA-N 0 0 279.409 3.737 50 0 CHAARN CSc1nccn2nc(-c3cccc(Cl)c3)cc12 ZINC000057510819 567157059 /nfs/dbraw/zinc/15/70/59/567157059.db2.gz UACWOENITDIKOV-UHFFFAOYSA-N 0 0 275.764 3.772 50 0 CHAARN O=C(Nc1ccccc1F)[C@H]1[C@@H]2CCCCC=C[C@H]21 ZINC000230135427 567157071 /nfs/dbraw/zinc/15/70/71/567157071.db2.gz MGKXQVFXEHPFOD-LALPHHSUSA-N 0 0 259.324 3.757 50 0 CHAARN C[C@@H](SC1CCCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000015545146 567158478 /nfs/dbraw/zinc/15/84/78/567158478.db2.gz YHPFUMYRZVWJDJ-SNVBAGLBSA-N 0 0 274.389 3.660 50 0 CHAARN COc1cccc(CN=C2Nc3ccccc3CS2)c1 ZINC000003052295 567158571 /nfs/dbraw/zinc/15/85/71/567158571.db2.gz OAXYBUOUIBRUFV-UHFFFAOYSA-N 0 0 284.384 3.719 50 0 CHAARN C[C@@H]1CC[C@H](Nc2cccc(C[S@](C)=O)c2)C[C@@H]1C ZINC000230466106 567163773 /nfs/dbraw/zinc/16/37/73/567163773.db2.gz QPMCOMMUNDISSV-YGOSVGOTSA-N 0 0 279.449 3.802 50 0 CHAARN O=C(c1cccc(Cl)c1)N1CCC[C@H]1c1ccncc1 ZINC000057561378 567160234 /nfs/dbraw/zinc/16/02/34/567160234.db2.gz HBXLZUYGHULMNY-HNNXBMFYSA-N 0 0 286.762 3.712 50 0 CHAARN O=C(c1cccc(Cl)c1)N1CCC[C@@H]1c1ccncc1 ZINC000057561377 567160284 /nfs/dbraw/zinc/16/02/84/567160284.db2.gz HBXLZUYGHULMNY-OAHLLOKOSA-N 0 0 286.762 3.712 50 0 CHAARN Cc1ccc(NS(=O)(=O)c2ccccc2F)c(Cl)c1 ZINC000003322608 567168471 /nfs/dbraw/zinc/16/84/71/567168471.db2.gz OILMQZSPXUCKDT-UHFFFAOYSA-N 0 0 299.754 3.588 50 0 CHAARN O=C(Nc1ccnn1C1CCCC1)c1cc2ccccc2[nH]1 ZINC000057767603 567162273 /nfs/dbraw/zinc/16/22/73/567162273.db2.gz ORTSRUHGPWJNDD-UHFFFAOYSA-N 0 0 294.358 3.732 50 0 CHAARN CC(C)c1ccccc1NC(=O)COc1ccccc1F ZINC000003209360 567163768 /nfs/dbraw/zinc/16/37/68/567163768.db2.gz RQFANUIVRFVXEM-UHFFFAOYSA-N 0 0 287.334 3.967 50 0 CHAARN CCCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000003234767 567164890 /nfs/dbraw/zinc/16/48/90/567164890.db2.gz CPXTXFGDVGPSMJ-GOSISDBHSA-N 0 0 282.339 3.954 50 0 CHAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1ccccc1 ZINC000003237513 567165051 /nfs/dbraw/zinc/16/50/51/567165051.db2.gz QBMMWYHVBZEFSZ-BETUJISGSA-N 0 0 263.406 3.568 50 0 CHAARN CC(C)=CC(=O)OCC(=O)c1ccc(Cl)cc1Cl ZINC000003267880 567165248 /nfs/dbraw/zinc/16/52/48/567165248.db2.gz YPDWXWWYBRWPON-UHFFFAOYSA-N 0 0 287.142 3.686 50 0 CHAARN CCCCNC(=S)Nc1ccc(C)c(Cl)c1 ZINC000003231621 567165351 /nfs/dbraw/zinc/16/53/51/567165351.db2.gz YLXCEAJTXKDOOE-UHFFFAOYSA-N 0 0 256.802 3.735 50 0 CHAARN CC(C)C[C@@H](NC(=O)c1ccc[nH]1)c1ccccc1 ZINC000057897274 567166052 /nfs/dbraw/zinc/16/60/52/567166052.db2.gz SGHSNIDYWZAMNQ-OAHLLOKOSA-N 0 0 256.349 3.532 50 0 CHAARN Cc1ccc(NC(=O)Cc2ccsc2)cc1Cl ZINC000003292596 567166954 /nfs/dbraw/zinc/16/69/54/567166954.db2.gz MNIXWAOXQJETKE-UHFFFAOYSA-N 0 0 265.765 3.891 50 0 CHAARN COC(=O)c1cccc(NC(=O)C[C@@H](C)c2ccccc2)c1 ZINC000003292575 567167611 /nfs/dbraw/zinc/16/76/11/567167611.db2.gz ITFLLZSPNHMFAC-CYBMUJFWSA-N 0 0 297.354 3.606 50 0 CHAARN O=C(O[C@@H]1CCCCC1=O)c1ccc(Cl)c(Cl)c1 ZINC000003342061 567169841 /nfs/dbraw/zinc/16/98/41/567169841.db2.gz HNJFPXBYGDOAIP-GFCCVEGCSA-N 0 0 287.142 3.662 50 0 CHAARN Cc1ccc(C[S@](=O)Cc2ccccc2C)cc1 ZINC000058168123 567172170 /nfs/dbraw/zinc/17/21/70/567172170.db2.gz ACHVAXKHEDFMTO-GOSISDBHSA-N 0 0 258.386 3.752 50 0 CHAARN Cc1csc(SCC(=O)Nc2ccc(C)cc2C)n1 ZINC000003413936 567172429 /nfs/dbraw/zinc/17/24/29/567172429.db2.gz XHIWTUGFYYIFJK-UHFFFAOYSA-N 0 0 292.429 3.799 50 0 CHAARN CSc1cccc(NC(=O)c2ccc(N(C)C)cc2)c1 ZINC000003409113 567172481 /nfs/dbraw/zinc/17/24/81/567172481.db2.gz OYSFCVUHLZLMPG-UHFFFAOYSA-N 0 0 286.400 3.727 50 0 CHAARN Cc1cccc(NC(=O)CNc2cc(C)ccc2C)c1 ZINC000003411352 567172573 /nfs/dbraw/zinc/17/25/73/567172573.db2.gz WVPLARHTFJIPBW-UHFFFAOYSA-N 0 0 268.360 3.662 50 0 CHAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccncc1 ZINC000003367089 567172977 /nfs/dbraw/zinc/17/29/77/567172977.db2.gz MUHPMCQYEURIIR-UHFFFAOYSA-N 0 0 298.676 3.589 50 0 CHAARN CN(C)c1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1 ZINC000030978135 567176199 /nfs/dbraw/zinc/17/61/99/567176199.db2.gz BZJACYLXXJHPHW-SFHVURJKSA-N 0 0 294.398 3.512 50 0 CHAARN CCCSc1nnc(Nc2ccccc2OC)s1 ZINC000003494565 567176470 /nfs/dbraw/zinc/17/64/70/567176470.db2.gz QRZRMYRFBMRUEI-UHFFFAOYSA-N 0 0 281.406 3.792 50 0 CHAARN CCCCCc1nnc(NC(=O)c2ccc(F)cc2)s1 ZINC000003557734 567179035 /nfs/dbraw/zinc/17/90/35/567179035.db2.gz ZXABJPXZWLMIEC-UHFFFAOYSA-N 0 0 293.367 3.662 50 0 CHAARN COc1ccc2c(CC(=O)Nc3ccccc3F)coc2c1 ZINC000003608751 567179940 /nfs/dbraw/zinc/17/99/40/567179940.db2.gz YOJDIIYNZZLNMW-UHFFFAOYSA-N 0 0 299.301 3.762 50 0 CHAARN CN(C(=O)c1cc(-c2ccc(F)cc2)on1)c1ccccc1 ZINC000003907624 567181104 /nfs/dbraw/zinc/18/11/04/567181104.db2.gz ZCIBEKAXNDDKHI-UHFFFAOYSA-N 0 0 296.301 3.757 50 0 CHAARN COc1ccc(/C=C/c2nc3ccccc3n2C)cc1 ZINC000004003570 567181121 /nfs/dbraw/zinc/18/11/21/567181121.db2.gz KYTAXLKGHVCDLJ-FMIVXFBMSA-N 0 0 264.328 3.752 50 0 CHAARN C[C@@H](Oc1cccc(C(F)(F)F)c1)c1cc[nH]n1 ZINC000004024865 567185628 /nfs/dbraw/zinc/18/56/28/567185628.db2.gz MRUBNWVKDLEZHK-MRVPVSSYSA-N 0 0 256.227 3.569 50 0 CHAARN O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)C1CCCC1 ZINC000004138169 567188870 /nfs/dbraw/zinc/18/88/70/567188870.db2.gz QNCBCPQFJLQXKZ-UHFFFAOYSA-N 0 0 296.414 3.853 50 0 CHAARN CCCc1nn(C)c(C(=O)Nc2ccccc2C)c1Cl ZINC000004178139 567190348 /nfs/dbraw/zinc/19/03/48/567190348.db2.gz JNFXJDZFFKWQAC-UHFFFAOYSA-N 0 0 291.782 3.587 50 0 CHAARN CCCCC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 ZINC000004276152 567191558 /nfs/dbraw/zinc/19/15/58/567191558.db2.gz VCBDQRRVPDYRRD-UHFFFAOYSA-N 0 0 279.727 3.519 50 0 CHAARN Cc1nc(-c2ccc3sc(C)nc3c2)n(C(C)C)n1 ZINC000670465562 567194412 /nfs/dbraw/zinc/19/44/12/567194412.db2.gz VOGBQDFEPAKDQD-UHFFFAOYSA-N 0 0 272.377 3.753 50 0 CHAARN CN(Cc1csc2ccccc12)C(=O)Nc1ccccn1 ZINC000067299520 567194993 /nfs/dbraw/zinc/19/49/93/567194993.db2.gz XIAQXAMROUJBKW-UHFFFAOYSA-N 0 0 297.383 3.960 50 0 CHAARN CC[C@@H](NC(=O)c1ccc2ncccc2c1)c1ccncc1 ZINC000172875985 567198869 /nfs/dbraw/zinc/19/88/69/567198869.db2.gz GTAGJZWBYLPPTH-MRXNPFEDSA-N 0 0 291.354 3.511 50 0 CHAARN C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(C(C)(C)C)cc1 ZINC000040108700 567199096 /nfs/dbraw/zinc/19/90/96/567199096.db2.gz QWVGDYVMXLWVMY-BBRMVZONSA-N 0 0 289.419 3.730 50 0 CHAARN Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@H]1C[C@@H]1C ZINC000069452838 567200532 /nfs/dbraw/zinc/20/05/32/567200532.db2.gz NFEOQMQMCRDUPX-GWCFXTLKSA-N 0 0 299.399 3.531 50 0 CHAARN CCc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)s1 ZINC000069416464 567200766 /nfs/dbraw/zinc/20/07/66/567200766.db2.gz GCKCMKOXVKAZDF-VIFPVBQESA-N 0 0 291.338 3.725 50 0 CHAARN Clc1ccccc1-c1nnc(SC[C@@H]2CCCO2)o1 ZINC000069568646 567202394 /nfs/dbraw/zinc/20/23/94/567202394.db2.gz RRXXMHACIQJQDI-VIFPVBQESA-N 0 0 296.779 3.661 50 0 CHAARN Cc1cc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(C)s1 ZINC000246791596 567204006 /nfs/dbraw/zinc/20/40/06/567204006.db2.gz JDTDHCMETNOFLH-CFVMTHIKSA-N 0 0 293.432 3.583 50 0 CHAARN Cc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1F ZINC000010372996 567204136 /nfs/dbraw/zinc/20/41/36/567204136.db2.gz HKOJDBZWWILARV-UHFFFAOYSA-N 0 0 297.373 3.986 50 0 CHAARN O=C(Nc1nc2ccccc2s1)c1ccsc1 ZINC000010406873 567205190 /nfs/dbraw/zinc/20/51/90/567205190.db2.gz HBOHRPODNBABLD-UHFFFAOYSA-N 0 0 260.343 3.610 50 0 CHAARN C[C@H]1C[C@H]1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000010321923 567205470 /nfs/dbraw/zinc/20/54/70/567205470.db2.gz BUCRDNJATNFKPP-SWLSCSKDSA-N 0 0 291.354 3.596 50 0 CHAARN Cc1cc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(C)s1 ZINC000246791638 567206008 /nfs/dbraw/zinc/20/60/08/567206008.db2.gz JDTDHCMETNOFLH-YUELXQCFSA-N 0 0 293.432 3.583 50 0 CHAARN COc1ccc([C@H]2CCCN2C(=O)NCCC(C)C)cc1 ZINC000042907138 567206286 /nfs/dbraw/zinc/20/62/86/567206286.db2.gz MNGCROSJPJQUKQ-MRXNPFEDSA-N 0 0 290.407 3.588 50 0 CHAARN CCC(CC)N(C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000042959956 567207014 /nfs/dbraw/zinc/20/70/14/567207014.db2.gz CMXUIXZDMJYODE-MRXNPFEDSA-N 0 0 274.408 3.894 50 0 CHAARN C=C1c2ccccc2NC(=O)N1Cc1ccccc1F ZINC000024974881 567213237 /nfs/dbraw/zinc/21/32/37/567213237.db2.gz XIEQRYZKITZBFN-UHFFFAOYSA-N 0 0 268.291 3.844 50 0 CHAARN CCOC(=O)N=c1[nH]c2sc3c(c2s1)CCCC3 ZINC000000085510 567817906 /nfs/dbraw/zinc/81/79/06/567817906.db2.gz AOUZJJQLQUKIHC-UHFFFAOYSA-N 0 0 282.390 3.805 50 0 CHAARN CC[C@@H](C(=O)NCc1ccccc1OC)c1ccccc1 ZINC000000030555 567816447 /nfs/dbraw/zinc/81/64/47/567816447.db2.gz IZPZDUUHDLGOTM-MRXNPFEDSA-N 0 0 283.371 3.505 50 0 biogenic CHAARN c1ccc2[nH]c(CCSc3nc4ccccc4[nH]3)nc2c1 ZINC000000029039 567816544 /nfs/dbraw/zinc/81/65/44/567816544.db2.gz YQQZGWBINJCVEO-UHFFFAOYSA-N 0 0 294.383 3.774 50 0 CHAARN CC(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000000006568 567816552 /nfs/dbraw/zinc/81/65/52/567816552.db2.gz VQTRHIMKJVQLKR-UHFFFAOYSA-N 0 0 268.341 3.922 50 0 CHAARN Cc1ccc(C2=N/C(=C/C=C/c3ccccc3)C(=O)O2)cc1 ZINC000000027939 567816577 /nfs/dbraw/zinc/81/65/77/567816577.db2.gz LAMOELIFPBPXFK-BDKUJZOCSA-N 0 0 289.334 3.896 50 0 CHAARN CC[C@@H](C(=O)Nc1cccc(NC(C)=O)c1)c1ccccc1 ZINC000000035680 567816633 /nfs/dbraw/zinc/81/66/33/567816633.db2.gz KXTXRRNNFILWRT-QGZVFWFLSA-N 0 0 296.370 3.777 50 0 CHAARN Cc1ccccc1OC(=O)COc1ccc(Cl)cc1C ZINC000000038479 567816811 /nfs/dbraw/zinc/81/68/11/567816811.db2.gz PSDRESCCXWVBMC-UHFFFAOYSA-N 0 0 290.746 3.941 50 0 CHAARN CN(Cc1ccccc1)C(=O)c1ccccc1Cl ZINC000000037708 567816829 /nfs/dbraw/zinc/81/68/29/567816829.db2.gz SFRGSZYPRPCWGP-UHFFFAOYSA-N 0 0 259.736 3.612 50 0 CHAARN C[C@@H](NC(=S)Nc1ccccc1)c1ccccc1 ZINC000000046511 567816863 /nfs/dbraw/zinc/81/68/63/567816863.db2.gz KPHXIOWPVPBEKR-GFCCVEGCSA-N 0 0 256.374 3.734 50 0 CHAARN CCOc1ccccc1C(=O)Nc1ccccc1CC ZINC000000044003 567816968 /nfs/dbraw/zinc/81/69/68/567816968.db2.gz AJGZXWAJYAXQDC-UHFFFAOYSA-N 0 0 269.344 3.900 50 0 CHAARN Cc1ccc(OCC(=O)Nc2cccc(C)c2C)cc1C ZINC000000044479 567816999 /nfs/dbraw/zinc/81/69/99/567816999.db2.gz WISXVFFTSCJSFL-UHFFFAOYSA-N 0 0 283.371 3.938 50 0 CHAARN COc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000000060029 567817388 /nfs/dbraw/zinc/81/73/88/567817388.db2.gz MSZPFWFDFWYVOE-UHFFFAOYSA-N 0 0 262.692 3.568 50 0 biogenic CHAARN CCN(CC)C(=O)C(c1ccccc1)c1ccccc1 ZINC000000061523 567817392 /nfs/dbraw/zinc/81/73/92/567817392.db2.gz HWTBZEFDSLIUOU-UHFFFAOYSA-N 0 0 267.372 3.687 50 0 CHAARN Fc1ccc(-c2csc(NC[C@@H]3CCCO3)n2)cc1 ZINC000000072204 567817543 /nfs/dbraw/zinc/81/75/43/567817543.db2.gz WUQIRLPJIDQBKN-LBPRGKRZSA-N 0 0 278.352 3.540 50 0 CHAARN CC(C)(C)c1ccc(-c2noc(-c3ccno3)n2)cc1 ZINC000000078517 567817643 /nfs/dbraw/zinc/81/76/43/567817643.db2.gz POMVBNWHEFNIIB-UHFFFAOYSA-N 0 0 269.304 3.689 50 0 CHAARN c1ccc2cc(-c3nc(-c4ccncc4)no3)ccc2c1 ZINC000000078865 567817745 /nfs/dbraw/zinc/81/77/45/567817745.db2.gz WJJGFVRABIHWDN-UHFFFAOYSA-N 0 0 273.295 3.952 50 0 CHAARN CCCn1c2ccccc2nc1[C@H](O)c1ccc(OC)cc1 ZINC000000079117 567817750 /nfs/dbraw/zinc/81/77/50/567817750.db2.gz BJXLORKMCAZXRI-QGZVFWFLSA-N 0 0 296.370 3.537 50 0 CHAARN Cc1cccn2cc(-c3ccc(NC(=O)C(C)C)cc3)nc12 ZINC000000079495 567817862 /nfs/dbraw/zinc/81/78/62/567817862.db2.gz FDZYEAAFQSGDFO-UHFFFAOYSA-N 0 0 293.370 3.904 50 0 CHAARN O=c1[nH]c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000000104737 567818439 /nfs/dbraw/zinc/81/84/39/567818439.db2.gz YOCFOMXFRZFLTM-UHFFFAOYSA-N 0 0 293.153 3.685 50 0 CHAARN Cc1ccccc1C(=O)Oc1ccc(-c2csnn2)cc1 ZINC000000106814 567818476 /nfs/dbraw/zinc/81/84/76/567818476.db2.gz QXXZINYBQQLSAR-UHFFFAOYSA-N 0 0 296.351 3.733 50 0 CHAARN CC(C)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000000112258 567818646 /nfs/dbraw/zinc/81/86/46/567818646.db2.gz CARCVHGZYDFAFH-UHFFFAOYSA-N 0 0 281.768 3.567 50 0 CHAARN COc1ccc2[nH]c(C(=O)Nc3ccc(C)c(F)c3)cc2c1 ZINC000000114537 567818736 /nfs/dbraw/zinc/81/87/36/567818736.db2.gz CMXUKKOQMOIOGB-UHFFFAOYSA-N 0 0 298.317 3.876 50 0 CHAARN Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000000115844 567818898 /nfs/dbraw/zinc/81/88/98/567818898.db2.gz FHYYBLWDYNACNA-UHFFFAOYSA-N 0 0 259.161 3.623 50 0 CHAARN Nc1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000000122887 567818951 /nfs/dbraw/zinc/81/89/51/567818951.db2.gz PDCRUJGQDJKQDP-UHFFFAOYSA-N 0 0 262.312 3.674 50 0 CHAARN CC(C)(C)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000125375 567819116 /nfs/dbraw/zinc/81/91/16/567819116.db2.gz FMSIMWLEPRZIHZ-UHFFFAOYSA-N 0 0 253.345 3.882 50 0 CHAARN CC(C)(C)c1ccc(O)c(C(=O)c2ccccc2)c1 ZINC000000136135 567819573 /nfs/dbraw/zinc/81/95/73/567819573.db2.gz IAAWULFRQOKLJI-UHFFFAOYSA-N 0 0 254.329 3.921 50 0 CHAARN CCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1OC ZINC000000136996 567819739 /nfs/dbraw/zinc/81/97/39/567819739.db2.gz VEOHYGKOFJTEDW-GXDHUFHOSA-N 0 0 295.338 3.587 50 0 CHAARN CC1(C)CN=C(Nc2cccc(C(F)(F)F)c2)S1 ZINC000000135022 567819831 /nfs/dbraw/zinc/81/98/31/567819831.db2.gz NICNMRAINRVNPL-UHFFFAOYSA-N 0 0 274.311 3.999 50 0 CHAARN Cc1ccc(C)c(OCC(=O)Nc2ccccc2F)c1C ZINC000000144577 567819958 /nfs/dbraw/zinc/81/99/58/567819958.db2.gz SDHXKIJCKRUULU-UHFFFAOYSA-N 0 0 287.334 3.768 50 0 CHAARN Cc1ccccc1NC(=O)CCC(=O)Nc1ccccc1C ZINC000000143278 567820127 /nfs/dbraw/zinc/82/01/27/567820127.db2.gz IHUCDKZXESJDKF-UHFFFAOYSA-N 0 0 296.370 3.661 50 0 CHAARN Cc1c(Cl)cccc1NC(=O)c1ccc(O)cc1 ZINC000000148029 567820338 /nfs/dbraw/zinc/82/03/38/567820338.db2.gz FZFXXVMGGZWZTB-UHFFFAOYSA-N 0 0 261.708 3.606 50 0 CHAARN CCOc1ccc(-c2oc3ccccc3c(=O)c2O)cc1 ZINC000000153723 567820369 /nfs/dbraw/zinc/82/03/69/567820369.db2.gz CJANOSGDZMADGM-UHFFFAOYSA-N 0 0 282.295 3.564 50 0 biogenic CHAARN Cc1cc(O[C@@H](C)C(=O)N2CCCCC2)cc(C)c1Cl ZINC000000150796 567820476 /nfs/dbraw/zinc/82/04/76/567820476.db2.gz KRJHRQLRERWOAG-ZDUSSCGKSA-N 0 0 295.810 3.737 50 0 CHAARN c1csc(-c2nnc3n2-c2ccccc2SC3)c1 ZINC000000160231 567820567 /nfs/dbraw/zinc/82/05/67/567820567.db2.gz MKKPWOKLXHRYLV-UHFFFAOYSA-N 0 0 271.370 3.602 50 0 CHAARN CC(=O)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1cccs1 ZINC000000159447 567820723 /nfs/dbraw/zinc/82/07/23/567820723.db2.gz VFMHBYYFZDIOHQ-WMLDXEAASA-N 0 0 296.395 3.618 50 0 CHAARN CN(C)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000000158158 567820735 /nfs/dbraw/zinc/82/07/35/567820735.db2.gz ZCKSHPATHDWBDQ-UHFFFAOYSA-N 0 0 273.311 3.536 50 0 CHAARN O=C(c1ccc(Cl)cc1)[C@H]1O[C@H]1c1ccccc1 ZINC000000157978 567820739 /nfs/dbraw/zinc/82/07/39/567820739.db2.gz WDBQFPCVLLFPRH-LSDHHAIUSA-N 0 0 258.704 3.663 50 0 CHAARN O=C1Cc2ccccc2[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000000163619 567821147 /nfs/dbraw/zinc/82/11/47/567821147.db2.gz NJIHDHXJLLDNCY-HNNXBMFYSA-N 0 0 292.165 3.755 50 0 CHAARN O=C(NCc1ccccc1F)Nc1ccc(Cl)cc1 ZINC000000171060 567821338 /nfs/dbraw/zinc/82/13/38/567821338.db2.gz IZWHJPLHRTVKDQ-UHFFFAOYSA-N 0 0 278.714 3.801 50 0 CHAARN O=C(c1sc2ccccc2c1Cl)N1CCCC1 ZINC000000176232 567821348 /nfs/dbraw/zinc/82/13/48/567821348.db2.gz RJDSNCQMQAZJON-UHFFFAOYSA-N 0 0 265.765 3.791 50 0 CHAARN Cc1occc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000000199763 567822023 /nfs/dbraw/zinc/82/20/23/567822023.db2.gz JDHJOFHZNYBJNI-UHFFFAOYSA-N 0 0 260.680 3.958 50 0 CHAARN Cc1ccc(F)c(NC(=O)NC2CCCCC2)c1 ZINC000000182215 567821625 /nfs/dbraw/zinc/82/16/25/567821625.db2.gz RQXXUWVWTHNKSE-UHFFFAOYSA-N 0 0 250.317 3.588 50 0 CHAARN COc1ccc2c(c1)oc(C)c(-c1ccc(F)cc1)c2=O ZINC000000189900 567821773 /nfs/dbraw/zinc/82/17/73/567821773.db2.gz DVQVVTZQSAHKOZ-UHFFFAOYSA-N 0 0 284.286 3.916 50 0 biogenic CHAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1 ZINC000000185189 567821827 /nfs/dbraw/zinc/82/18/27/567821827.db2.gz BKIHJPWFXBXXSR-UHFFFAOYSA-N 0 0 298.773 3.794 50 0 biogenic CHAARN CCc1cc2c(ncnc2N2CCCCCC2)s1 ZINC000000187674 567821836 /nfs/dbraw/zinc/82/18/36/567821836.db2.gz AKSDNJWJGXKOTD-UHFFFAOYSA-N 0 0 261.394 3.634 50 0 CHAARN CCc1cc2c(ncnc2NCc2ccccc2)s1 ZINC000000187679 567821840 /nfs/dbraw/zinc/82/18/40/567821840.db2.gz AAVTVGPMIUAKNN-UHFFFAOYSA-N 0 0 269.373 3.866 50 0 CHAARN C[C@H]1S[C@H](c2ccccc2)N(CCc2ccccc2)C1=O ZINC000000208815 567821954 /nfs/dbraw/zinc/82/19/54/567821954.db2.gz MHTPHNMQFNQPQF-RDTXWAMCSA-N 0 0 297.423 3.892 50 0 CHAARN C[C@H]1S[C@@H](c2ccccc2)N(Cc2ccccc2)C1=O ZINC000000208577 567822192 /nfs/dbraw/zinc/82/21/92/567822192.db2.gz XCLUQWGMVIXYIU-DYVFJYSZSA-N 0 0 283.396 3.849 50 0 CHAARN Fc1ccc(C2N=NC(=S)N2CCc2ccccc2)cc1 ZINC000000203453 567822200 /nfs/dbraw/zinc/82/22/00/567822200.db2.gz KJYBOUOKDDJSNE-UHFFFAOYSA-N 0 0 299.374 3.616 50 0 CHAARN O=C(Nc1ccc(Cl)cc1Cl)c1ccco1 ZINC000000240759 567822812 /nfs/dbraw/zinc/82/28/12/567822812.db2.gz INHZUTJGFJFPRQ-UHFFFAOYSA-N 0 0 256.088 3.839 50 0 CHAARN CCOc1ccccc1C(=O)Nc1ccc(F)cc1F ZINC000000259099 567823117 /nfs/dbraw/zinc/82/31/17/567823117.db2.gz QHKVMWSGRAKJDH-UHFFFAOYSA-N 0 0 277.270 3.616 50 0 CHAARN CC(C)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000000257194 567823237 /nfs/dbraw/zinc/82/32/37/567823237.db2.gz STIVEECRYCRMTE-UHFFFAOYSA-N 0 0 266.772 3.535 50 0 CHAARN COc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000000255939 567823288 /nfs/dbraw/zinc/82/32/88/567823288.db2.gz IBTFTUFMQVSRSR-UHFFFAOYSA-N 0 0 295.260 3.966 50 0 CHAARN Cc1ccc(NC(=O)c2ccc3nsnc3c2)cc1C ZINC000000267515 567823311 /nfs/dbraw/zinc/82/33/11/567823311.db2.gz CABYCKKTJDAPLW-UHFFFAOYSA-N 0 0 283.356 3.560 50 0 CHAARN CCN(CC)[C@@H](C)C(=O)c1ccc2ccccc2c1 ZINC000000276781 567823683 /nfs/dbraw/zinc/82/36/83/567823683.db2.gz YODIAZBEBIXKAD-ZDUSSCGKSA-N 0 0 255.361 3.753 50 0 CHAARN O=C1C[C@@H](c2cccnc2)Nc2ccc3ccccc3c21 ZINC000000276278 567823717 /nfs/dbraw/zinc/82/37/17/567823717.db2.gz YLRGNLPUITYATC-INIZCTEOSA-N 0 0 274.323 3.974 50 0 CHAARN Cc1nc2ccccc2c(=O)n1C1CCCCCC1 ZINC000000274127 567823764 /nfs/dbraw/zinc/82/37/64/567823764.db2.gz CBEHCCCRIMNWFA-UHFFFAOYSA-N 0 0 256.349 3.600 50 0 CHAARN CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1 ZINC000000288469 567823861 /nfs/dbraw/zinc/82/38/61/567823861.db2.gz IGRAWLYAFKEFDP-UHFFFAOYSA-N 0 0 277.270 3.616 50 0 CHAARN COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000000286465 567823922 /nfs/dbraw/zinc/82/39/22/567823922.db2.gz UVGPQLMHIRNFEE-UHFFFAOYSA-N 0 0 261.708 3.601 50 0 CHAARN Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 ZINC000000280879 567823973 /nfs/dbraw/zinc/82/39/73/567823973.db2.gz QJTBTVKWLSOQTQ-UHFFFAOYSA-N 0 0 297.383 3.602 50 0 CHAARN CC(=O)Nc1ccc(NC(=O)/C(C)=C\c2ccccc2)cc1 ZINC000000286640 567824042 /nfs/dbraw/zinc/82/40/42/567824042.db2.gz OBYJTAPKUODBEZ-SEYXRHQNSA-N 0 0 294.354 3.687 50 0 CHAARN COc1ccc([C@H]2SCC(=O)N2c2ccc(C)cc2)cc1 ZINC000000296083 567824133 /nfs/dbraw/zinc/82/41/33/567824133.db2.gz KRLVWIBDHJUQNJ-QGZVFWFLSA-N 0 0 299.395 3.782 50 0 CHAARN O=C(COc1ccc2ccccc2c1)Nc1ccccc1 ZINC000000293522 567824186 /nfs/dbraw/zinc/82/41/86/567824186.db2.gz JWSYJYQAHCEGBA-UHFFFAOYSA-N 0 0 277.323 3.857 50 0 CHAARN O=C(Nc1ccc(F)cc1F)c1cc2ccccc2o1 ZINC000000300683 567824614 /nfs/dbraw/zinc/82/46/14/567824614.db2.gz UEAGJHCDYKTCDJ-UHFFFAOYSA-N 0 0 273.238 3.963 50 0 CHAARN O=C(Nc1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000000304505 567824626 /nfs/dbraw/zinc/82/46/26/567824626.db2.gz URUXJIQKMRJZOT-UHFFFAOYSA-N 0 0 267.662 3.871 50 0 CHAARN COc1c(Cl)cccc1NC(=O)c1cccs1 ZINC000000310911 567824938 /nfs/dbraw/zinc/82/49/38/567824938.db2.gz PURFUZBCTZVBGF-UHFFFAOYSA-N 0 0 267.737 3.662 50 0 CHAARN Cc1ccc(SC(=O)COc2ccc(F)cc2)cc1 ZINC000000307194 567824996 /nfs/dbraw/zinc/82/49/96/567824996.db2.gz WETITXMEYMRACD-UHFFFAOYSA-N 0 0 276.332 3.832 50 0 CHAARN CCOc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000332277 567825458 /nfs/dbraw/zinc/82/54/58/567825458.db2.gz KTNPXXPLEMDHRT-UHFFFAOYSA-N 0 0 296.775 3.572 50 0 CHAARN Cc1cc(O)c(NC(=O)c2ccccc2C)cc1C ZINC000000330808 567825683 /nfs/dbraw/zinc/82/56/83/567825683.db2.gz KQKLHAPBTGXMAU-UHFFFAOYSA-N 0 0 255.317 3.570 50 0 CHAARN CC/C(=C/c1ccc(Br)s1)[N+](=O)[O-] ZINC000000336984 567825724 /nfs/dbraw/zinc/82/57/24/567825724.db2.gz KFKMDACEUJVSHR-WAYWQWQTSA-N 0 0 262.128 3.538 50 0 CHAARN Cc1ccc2c(c1)nnn2CNc1cccc2ccccc21 ZINC000000349326 567826433 /nfs/dbraw/zinc/82/64/33/567826433.db2.gz KPWAJLIZVSWFLE-UHFFFAOYSA-N 0 0 288.354 3.963 50 0 CHAARN Cc1ccc(Cl)cc1NC(=O)COc1ccccc1C ZINC000000361831 567826585 /nfs/dbraw/zinc/82/65/85/567826585.db2.gz ZEXQAZKCHYCORL-UHFFFAOYSA-N 0 0 289.762 3.974 50 0 CHAARN CCc1ccc(OCC(=O)NCCC2=CCCCC2)cc1 ZINC000000358774 567826736 /nfs/dbraw/zinc/82/67/36/567826736.db2.gz KXHVAOBXGGSUBL-UHFFFAOYSA-N 0 0 287.403 3.635 50 0 CHAARN CC(C)(C)c1cc(OC(=O)C2CCCC2)ccc1O ZINC000000363893 567826933 /nfs/dbraw/zinc/82/69/33/567826933.db2.gz PQQFGPKGUVZXLN-UHFFFAOYSA-N 0 0 262.349 3.785 50 0 CHAARN COc1cccc(C(=O)OC2C[C@@H](C)C[C@H](C)C2)c1 ZINC000000365008 567827487 /nfs/dbraw/zinc/82/74/87/567827487.db2.gz BCHRDJJXHHEULV-RYUDHWBXSA-N 0 0 262.349 3.677 50 0 CHAARN CCc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000000365125 567827317 /nfs/dbraw/zinc/82/73/17/567827317.db2.gz MJRWCGZGZPZAJF-AWEZNQCLSA-N 0 0 283.371 3.963 50 0 CHAARN CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1 ZINC000000364674 567827345 /nfs/dbraw/zinc/82/73/45/567827345.db2.gz APNCWHXCVGEBGZ-AWEZNQCLSA-N 0 0 297.354 3.604 50 0 CHAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(O)c2)c(C)c1 ZINC000000364872 567827491 /nfs/dbraw/zinc/82/74/91/567827491.db2.gz OQSGVSKXOHSNIA-CQSZACIVSA-N 0 0 299.370 3.723 50 0 CHAARN C[C@@H]1C[C@H]1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000000372088 567827535 /nfs/dbraw/zinc/82/75/35/567827535.db2.gz DTVGDEPUWYDANL-HTRCEHHLSA-N 0 0 266.753 3.544 50 0 CHAARN C[C@H]1CCc2c(sc(N)c2C(=O)NC2CCCCC2)C1 ZINC000000374668 567827603 /nfs/dbraw/zinc/82/76/03/567827603.db2.gz PJTXSLCASVKCCQ-JTQLQIEISA-N 0 0 292.448 3.518 50 0 CHAARN Cc1ccc(NC(=O)c2ccccc2OC(F)F)cc1F ZINC000000374679 567827611 /nfs/dbraw/zinc/82/76/11/567827611.db2.gz PYNNBFCFKVPSDU-UHFFFAOYSA-N 0 0 295.260 3.988 50 0 CHAARN O=C(/C=C/c1cccs1)NCCc1cccc(Cl)c1 ZINC000000376397 567827785 /nfs/dbraw/zinc/82/77/85/567827785.db2.gz UWWVAODXMATUNA-VOTSOKGWSA-N 0 0 291.803 3.774 50 0 CHAARN C[C@H](SCc1ccccc1)C(=O)NC1CCCCC1 ZINC000000379417 567827940 /nfs/dbraw/zinc/82/79/40/567827940.db2.gz VJYIFCPYWUHCMI-ZDUSSCGKSA-N 0 0 277.433 3.757 50 0 CHAARN Cc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1 ZINC000000383234 567828000 /nfs/dbraw/zinc/82/80/00/567828000.db2.gz OSBZXODXAOPIBA-UHFFFAOYSA-N 0 0 267.328 3.597 50 0 CHAARN C[C@@H]1CCCCN1c1ncnc2c3ccccc3oc21 ZINC000000383006 567828068 /nfs/dbraw/zinc/82/80/68/567828068.db2.gz HCSJONRSIJXDFD-LLVKDONJSA-N 0 0 267.332 3.755 50 0 CHAARN CCOc1cccc(NC(=O)CCc2ccccc2)c1 ZINC000000383716 567828114 /nfs/dbraw/zinc/82/81/14/567828114.db2.gz VVJDKSLUESNIAC-UHFFFAOYSA-N 0 0 269.344 3.657 50 0 CHAARN Cc1cc(=O)oc2cc3oc4c(c3cc12)CCCC4 ZINC000000386239 567828305 /nfs/dbraw/zinc/82/83/05/567828305.db2.gz GSCQGWISTGMGFM-UHFFFAOYSA-N 0 0 254.285 3.726 50 0 biogenic CHAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(C)cc1 ZINC000000389263 567828451 /nfs/dbraw/zinc/82/84/51/567828451.db2.gz BSPBDTZZKFPGLW-UHFFFAOYSA-N 0 0 275.735 3.909 50 0 CHAARN Cc1ccc(NC(=O)COc2ccccc2Cl)c(C)c1 ZINC000000398387 567829014 /nfs/dbraw/zinc/82/90/14/567829014.db2.gz YLHVTDOPINPRPD-UHFFFAOYSA-N 0 0 289.762 3.974 50 0 CHAARN C[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccccc1 ZINC000000405224 567829438 /nfs/dbraw/zinc/82/94/38/567829438.db2.gz BAVCMBHFOQFOSV-CABCVRRESA-N 0 0 282.387 3.678 50 0 CHAARN CC(C)c1ccc(NC(=O)NCc2ccco2)cc1 ZINC000000409605 567829574 /nfs/dbraw/zinc/82/95/74/567829574.db2.gz XZYXXEMRSAGGFM-UHFFFAOYSA-N 0 0 258.321 3.725 50 0 CHAARN Cc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000000407818 567829581 /nfs/dbraw/zinc/82/95/81/567829581.db2.gz AADZTPCEHBQRGA-SJORKVTESA-N 0 0 290.370 3.733 50 0 CHAARN CCOC(=O)c1cc(Cl)cc(Cc2ccccc2)c1O ZINC000000408144 567829588 /nfs/dbraw/zinc/82/95/88/567829588.db2.gz SBVKNNYLRGBKFK-UHFFFAOYSA-N 0 0 290.746 3.813 50 0 CHAARN O=C(NCc1cccs1)Nc1ccccc1Cl ZINC000000413874 567830021 /nfs/dbraw/zinc/83/00/21/567830021.db2.gz FVRRVGUAKMROAL-UHFFFAOYSA-N 0 0 266.753 3.723 50 0 CHAARN O=C(COc1ccc(Cl)cc1)NC1CCCCCCC1 ZINC000000443437 567830344 /nfs/dbraw/zinc/83/03/44/567830344.db2.gz UNQWYOUYKCIMRQ-UHFFFAOYSA-N 0 0 295.810 3.948 50 0 CHAARN CN(C)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000000441908 567830417 /nfs/dbraw/zinc/83/04/17/567830417.db2.gz XCFQGLZPWMXVQO-UHFFFAOYSA-N 0 0 288.778 3.587 50 0 CHAARN CCN(C(=O)CCc1ccccc1)c1ccccc1C ZINC000000450123 567830531 /nfs/dbraw/zinc/83/05/31/567830531.db2.gz RJXTVPWMSHANQG-UHFFFAOYSA-N 0 0 267.372 3.981 50 0 CHAARN CCCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000000444704 567830547 /nfs/dbraw/zinc/83/05/47/567830547.db2.gz WDXUHEKTPWQFTD-UHFFFAOYSA-N 0 0 296.370 3.606 50 0 CHAARN CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000000446964 567830580 /nfs/dbraw/zinc/83/05/80/567830580.db2.gz OOEUDRFGNWLCAF-YOEHRIQHSA-N 0 0 283.371 3.721 50 0 CHAARN CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000000446965 567830594 /nfs/dbraw/zinc/83/05/94/567830594.db2.gz OOEUDRFGNWLCAF-WMLDXEAASA-N 0 0 283.371 3.721 50 0 CHAARN O=C(Cc1cccs1)Nc1ccc(F)c(Cl)c1 ZINC000000456098 567830910 /nfs/dbraw/zinc/83/09/10/567830910.db2.gz DAHVDAYFAMRRJM-UHFFFAOYSA-N 0 0 269.728 3.722 50 0 CHAARN O=C(COc1ccccc1Cl)NC1CCCCCCC1 ZINC000000455318 567830931 /nfs/dbraw/zinc/83/09/31/567830931.db2.gz YCDSUCKSQHJPBG-UHFFFAOYSA-N 0 0 295.810 3.948 50 0 CHAARN Cc1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000000458677 567831143 /nfs/dbraw/zinc/83/11/43/567831143.db2.gz NBBNBXYCLHTFCN-UHFFFAOYSA-N 0 0 293.725 3.805 50 0 CHAARN Cc1cc(C)c(C)c(OCc2nc(-c3cccnc3)no2)c1 ZINC000000460884 567831292 /nfs/dbraw/zinc/83/12/92/567831292.db2.gz JUWNYORFKADCPF-UHFFFAOYSA-N 0 0 295.342 3.636 50 0 CHAARN Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000000458216 567831314 /nfs/dbraw/zinc/83/13/14/567831314.db2.gz SYGQTAJFDDBHFJ-UHFFFAOYSA-N 0 0 289.718 3.629 50 0 CHAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(F)cc2)c1C ZINC000000463424 567831534 /nfs/dbraw/zinc/83/15/34/567831534.db2.gz IZORNELVZRTDLJ-CYBMUJFWSA-N 0 0 287.334 3.849 50 0 CHAARN CCc1nc2ccccc2n1C[C@H]1CC1(Cl)Cl ZINC000000462399 567831633 /nfs/dbraw/zinc/83/16/33/567831633.db2.gz UJZAGOWJNGCRRQ-SECBINFHSA-N 0 0 269.175 3.793 50 0 CHAARN Cc1cccc(C(=O)Nc2ccccc2N2CCCC2)c1 ZINC000000465286 567831758 /nfs/dbraw/zinc/83/17/58/567831758.db2.gz VLDJCEMZMDDFAM-UHFFFAOYSA-N 0 0 280.371 3.848 50 0 CHAARN CC(=O)c1ccc(NC(=O)CSc2ccc(C)cc2)cc1 ZINC000000471070 567831945 /nfs/dbraw/zinc/83/19/45/567831945.db2.gz XJMBGXGKSRWKLY-UHFFFAOYSA-N 0 0 299.395 3.928 50 0 CHAARN Cc1nc2cc(NC(=O)Nc3cccc(F)c3)ccc2n1C ZINC000000470745 567832074 /nfs/dbraw/zinc/83/20/74/567832074.db2.gz ARVNUBGNNACWMA-UHFFFAOYSA-N 0 0 298.321 3.665 50 0 CHAARN CC(C)(C)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000000474166 567832195 /nfs/dbraw/zinc/83/21/95/567832195.db2.gz LHVLUDWDNDTYHG-UHFFFAOYSA-N 0 0 260.164 3.656 50 0 CHAARN CCc1cccc(NC(=O)C(Cl)(Cl)Cl)c1 ZINC000000473917 567832261 /nfs/dbraw/zinc/83/22/61/567832261.db2.gz ZZWLJNAYNLWMRQ-UHFFFAOYSA-N 0 0 266.555 3.558 50 0 CHAARN C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000000475918 567832269 /nfs/dbraw/zinc/83/22/69/567832269.db2.gz ZIHCSSPPKOUGKT-RDTXWAMCSA-N 0 0 295.382 3.648 50 0 CHAARN COc1cc(NC(=O)c2ccc(C)cc2)ccc1Cl ZINC000000476010 567832368 /nfs/dbraw/zinc/83/23/68/567832368.db2.gz DHFHDCSEGVUBEB-UHFFFAOYSA-N 0 0 275.735 3.909 50 0 CHAARN O=C(COc1ccccc1Cl)c1ccc(F)cc1 ZINC000000474997 567832392 /nfs/dbraw/zinc/83/23/92/567832392.db2.gz ZPQWSOLELUIJJF-UHFFFAOYSA-N 0 0 264.683 3.741 50 0 CHAARN CCOC(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000000476002 567832461 /nfs/dbraw/zinc/83/24/61/567832461.db2.gz IFFOBFOAKGBWME-UHFFFAOYSA-N 0 0 262.334 3.687 50 0 in-vitro CHAARN CCOc1ccccc1NC(=O)c1ccc(C)c(C)c1 ZINC000000483091 567832564 /nfs/dbraw/zinc/83/25/64/567832564.db2.gz GLTRTADCOMTRTP-UHFFFAOYSA-N 0 0 269.344 3.954 50 0 CHAARN Cc1cnc2sc(=S)n(-c3ccccn3)c2c1 ZINC000000481417 567832610 /nfs/dbraw/zinc/83/26/10/567832610.db2.gz IHWFCFJFQKBNNU-UHFFFAOYSA-N 0 0 259.359 3.520 50 0 CHAARN CC(C)(C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000000484000 567832756 /nfs/dbraw/zinc/83/27/56/567832756.db2.gz XVOUKNDICGZRTM-UHFFFAOYSA-N 0 0 276.380 3.656 50 0 CHAARN OCc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000000479347 567832766 /nfs/dbraw/zinc/83/27/66/567832766.db2.gz YUXHYKPCYQGDQG-UHFFFAOYSA-N 0 0 250.750 3.984 50 0 CHAARN O=C(COC(=O)c1cccs1)c1ccc2ccccc2c1 ZINC000000482371 567832772 /nfs/dbraw/zinc/83/27/72/567832772.db2.gz PNWPVJRAOUNGON-UHFFFAOYSA-N 0 0 296.347 3.941 50 0 CHAARN Cc1ccc(C(=O)N(C)Cc2ccccc2)c(C)c1 ZINC000000514545 567833047 /nfs/dbraw/zinc/83/30/47/567833047.db2.gz POGDSWZJXGLGCA-UHFFFAOYSA-N 0 0 253.345 3.576 50 0 CHAARN CCc1ccc(CCC(=O)Nc2ccc(CC)cc2)o1 ZINC000000539310 567833332 /nfs/dbraw/zinc/83/33/32/567833332.db2.gz DUIFLQRJORQCQP-UHFFFAOYSA-N 0 0 271.360 3.976 50 0 CHAARN COc1ccccc1NC(=O)c1cc(C)nc2ccccc21 ZINC000000551997 567833341 /nfs/dbraw/zinc/83/33/41/567833341.db2.gz SPHWEYHYRSJCMI-UHFFFAOYSA-N 0 0 292.338 3.804 50 0 CHAARN Cc1c(F)cccc1NC(=O)COc1ccc(Cl)cc1 ZINC000000565879 567833719 /nfs/dbraw/zinc/83/37/19/567833719.db2.gz RLFBDSBSPGYBHV-UHFFFAOYSA-N 0 0 293.725 3.805 50 0 CHAARN Cc1ccc(C)c(Cn2c3ccccc3nc2[C@H](C)O)c1 ZINC000000572494 567833860 /nfs/dbraw/zinc/83/38/60/567833860.db2.gz IIIKCEKPMUWIPM-AWEZNQCLSA-N 0 0 280.371 3.755 50 0 CHAARN S=C1N=NC(c2ccccc2Cl)N1Cc1ccco1 ZINC000000608953 567834000 /nfs/dbraw/zinc/83/40/00/567834000.db2.gz HUECFYBUQDVQCI-UHFFFAOYSA-N 0 0 291.763 3.529 50 0 CHAARN CC(=O)Nc1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000000616041 567834272 /nfs/dbraw/zinc/83/42/72/567834272.db2.gz UHHPYRNVYWNCRW-UHFFFAOYSA-N 0 0 293.326 3.670 50 0 CHAARN O=C(NCc1ccc(Cl)cc1Cl)c1cccs1 ZINC000000617267 567834305 /nfs/dbraw/zinc/83/43/05/567834305.db2.gz OREKNQCPRLSJKL-UHFFFAOYSA-N 0 0 286.183 3.985 50 0 CHAARN C[C@H](Sc1ccccn1)C(=O)Nc1cccc(Cl)c1 ZINC000000611702 567834329 /nfs/dbraw/zinc/83/43/29/567834329.db2.gz YRLNKYNUUCOZJH-JTQLQIEISA-N 0 0 292.791 3.854 50 0 CHAARN CC(C)Oc1ccc(CNC(=O)C2CCCCC2)cc1 ZINC000000614896 567834411 /nfs/dbraw/zinc/83/44/11/567834411.db2.gz SNAYKGLSOYYLFY-UHFFFAOYSA-N 0 0 275.392 3.670 50 0 CHAARN CCSc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000000614269 567834459 /nfs/dbraw/zinc/83/44/59/567834459.db2.gz BEMPRPYIPBWJBP-UHFFFAOYSA-N 0 0 271.385 3.980 50 0 CHAARN Fc1ccc(CSc2nnc(-c3ccncc3)o2)cc1 ZINC000000616986 567834497 /nfs/dbraw/zinc/83/44/97/567834497.db2.gz IFQJLGWWSDEDCY-UHFFFAOYSA-N 0 0 287.319 3.563 50 0 CHAARN Cc1nc2ccc(NC(=O)NCc3ccco3)cc2s1 ZINC000000612921 567834507 /nfs/dbraw/zinc/83/45/07/567834507.db2.gz MKCGLNSUYNTNGK-UHFFFAOYSA-N 0 0 287.344 3.519 50 0 CHAARN COc1ccc([C@@H](C)NC(=O)c2ccccc2Cl)cc1 ZINC000000619069 567834601 /nfs/dbraw/zinc/83/46/01/567834601.db2.gz ZEPMGIOYRSAGCT-LLVKDONJSA-N 0 0 289.762 3.840 50 0 CHAARN Cc1ccc(-c2nn(-c3ccc(F)cc3F)cc2C=O)cc1 ZINC000000732170 567834775 /nfs/dbraw/zinc/83/47/75/567834775.db2.gz KHIKHDDSDAYSCO-UHFFFAOYSA-N 0 0 298.292 3.938 50 0 CHAARN C[C@H](CCc1ccccc1)NC(=O)CSc1ccccc1 ZINC000000860180 567835005 /nfs/dbraw/zinc/83/50/05/567835005.db2.gz KVTXNBBIHPZZPA-OAHLLOKOSA-N 0 0 299.439 3.916 50 0 CHAARN Cc1ccc(-c2cc(C(=O)NCc3cccs3)no2)cc1 ZINC000000815088 567835124 /nfs/dbraw/zinc/83/51/24/567835124.db2.gz GKQABTLRUGGLMW-UHFFFAOYSA-N 0 0 298.367 3.642 50 0 aggregator CHAARN CC[C@H]1CCCCN1C(=O)CCCc1ccccc1 ZINC000000860510 567835153 /nfs/dbraw/zinc/83/51/53/567835153.db2.gz DILNABHPCIRKMY-INIZCTEOSA-N 0 0 259.393 3.800 50 0 CHAARN Cc1ccc([C@H](C)NC(=O)Cc2ccc(F)cc2)c(C)c1 ZINC000001002650 567835390 /nfs/dbraw/zinc/83/53/90/567835390.db2.gz IVNYEQMKAUCRBW-AWEZNQCLSA-N 0 0 285.362 3.862 50 0 CHAARN S=C(Nc1cccc(Cl)c1)NC1CCCC1 ZINC000001002767 567835534 /nfs/dbraw/zinc/83/55/34/567835534.db2.gz NTDPBYPQIPASSO-UHFFFAOYSA-N 0 0 254.786 3.569 50 0 CHAARN CCOc1ccc(C(=O)Oc2ccc(CC)cc2)cc1 ZINC000001017090 567835748 /nfs/dbraw/zinc/83/57/48/567835748.db2.gz UCEWJBYMAFXPJC-UHFFFAOYSA-N 0 0 270.328 3.867 50 0 CHAARN Cc1noc(C)c1NC(=O)Nc1cccc(-n2cccc2)c1 ZINC000001034926 567835772 /nfs/dbraw/zinc/83/57/72/567835772.db2.gz YSZNIGGTTHEWRC-UHFFFAOYSA-N 0 0 296.330 3.726 50 0 CHAARN Cc1ccc(CN2C(=O)S/C(=C\c3ccco3)C2=O)cc1 ZINC000001130056 567836045 /nfs/dbraw/zinc/83/60/45/567836045.db2.gz YHHQNQXCXAZCDE-ZROIWOOFSA-N 0 0 299.351 3.825 50 0 CHAARN COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1 ZINC000001077502 567836083 /nfs/dbraw/zinc/83/60/83/567836083.db2.gz GZUYYEJGUZQYPK-UHFFFAOYSA-N 0 0 270.259 3.608 50 0 biogenic CHAARN CCOc1ccccc1-n1nc(C)c(-c2ccccc2)c1N ZINC000001076030 567836095 /nfs/dbraw/zinc/83/60/95/567836095.db2.gz SIWWLXUAPMCQLO-UHFFFAOYSA-N 0 0 293.370 3.829 50 0 CHAARN C[C@@H](NC(=O)c1csc2c1CCCC2)c1ccncc1 ZINC000001056058 567836166 /nfs/dbraw/zinc/83/61/66/567836166.db2.gz WPHIPDICDFTUHX-LLVKDONJSA-N 0 0 286.400 3.513 50 0 CHAARN Cc1cc(C)c(NS(=O)(=O)Cc2ccccc2)c(C)c1 ZINC000001217685 567836337 /nfs/dbraw/zinc/83/63/37/567836337.db2.gz WBROQNWDBMQZIF-UHFFFAOYSA-N 0 0 289.400 3.554 50 0 CHAARN Cc1cc2nc(-c3ccc(Cl)nc3)n(C)c2cc1C ZINC000001383357 567836934 /nfs/dbraw/zinc/83/69/34/567836934.db2.gz OJPGWCVHWXNISK-UHFFFAOYSA-N 0 0 271.751 3.906 50 0 CHAARN S=C(Nc1cccnc1)Nc1ccccc1Cl ZINC000001421017 567837204 /nfs/dbraw/zinc/83/72/04/567837204.db2.gz KLYYVHJBOBBRKH-UHFFFAOYSA-N 0 0 263.753 3.544 50 0 CHAARN Cc1cccc2c(C)cc(=O)n(Cc3ccccc3)c12 ZINC000001394029 567837418 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/nfs/dbraw/zinc/93/02/73/567930273.db2.gz QPMCOMMUNDISSV-LYMQGIMYSA-N 0 0 279.449 3.802 50 0 CHAARN CC[C@H](C)NC(=O)c1cc2cc3ccc(OC)cc3nc2o1 ZINC000000429121 567930522 /nfs/dbraw/zinc/93/05/22/567930522.db2.gz LSPABVWXXJVBLS-JTQLQIEISA-N 0 0 298.342 3.518 50 0 CHAARN Cc1ccc(CNc2[nH]c(=S)nc3ccccc32)o1 ZINC000000425523 567930531 /nfs/dbraw/zinc/93/05/31/567930531.db2.gz CWIWHIRWCGSPJT-UHFFFAOYSA-N 0 0 271.345 3.806 50 0 CHAARN Cc1cccc(C)c1NC(=O)OCc1ccc2c(c1)OCO2 ZINC000000397316 567931257 /nfs/dbraw/zinc/93/12/57/567931257.db2.gz JDPAWJIPCFJNJX-UHFFFAOYSA-N 0 0 299.326 3.781 50 0 CHAARN Cc1ccc(NCc2ccncc2)c(Br)c1 ZINC000000293516 567931312 /nfs/dbraw/zinc/93/13/12/567931312.db2.gz JGQCKMUYOABIRP-UHFFFAOYSA-N 0 0 277.165 3.765 50 0 CHAARN CC(=O)OC[C@@]12COC3(CCCC3)[C@@H](C(C)=C[C@H]1C)[C@@H]2C ZINC000005222425 567931424 /nfs/dbraw/zinc/93/14/24/567931424.db2.gz DNFFPEBVRBASNE-YQFWSFKMSA-N 0 0 292.419 3.727 50 0 biogenic CHAARN CCc1ccc(NCCC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000002521051 567931676 /nfs/dbraw/zinc/93/16/76/567931676.db2.gz BKRYADSEKODQFV-UHFFFAOYSA-N 0 0 297.354 3.663 50 0 biogenic,in-vitro CHAARN CC(C)Oc1nc(-c2ccccc2)nnc1-c1ccccc1 ZINC000001417622 567931980 /nfs/dbraw/zinc/93/19/80/567931980.db2.gz ALTXYWAOAZYXRV-UHFFFAOYSA-N 0 0 291.354 3.993 50 0 CHAARN Cc1nn(Cc2cccc3ccccc32)c(Cl)c1C=O ZINC000002650187 567932140 /nfs/dbraw/zinc/93/21/40/567932140.db2.gz XHWGTZCFCCXPKL-UHFFFAOYSA-N 0 0 284.746 3.859 50 0 CHAARN CCc1ccccc1NCc1nc(-c2ccco2)no1 ZINC000062639859 567933283 /nfs/dbraw/zinc/93/32/83/567933283.db2.gz WWPNLYWPMGKIEN-UHFFFAOYSA-N 0 0 269.304 3.504 50 0 CHAARN S=C1N=NC(Nc2cc(Cl)cc(Cl)c2)S1 ZINC000000130725 567935371 /nfs/dbraw/zinc/93/53/71/567935371.db2.gz TZYFCSNUMPYPPM-UHFFFAOYSA-N 0 0 278.189 3.877 50 0 CHAARN CC(C)=CCSc1nc2ccc(N)cc2s1 ZINC000000389896 567935886 /nfs/dbraw/zinc/93/58/86/567935886.db2.gz HLCVCZOZWLGJHG-UHFFFAOYSA-N 0 0 250.392 3.937 50 0 CHAARN O=C(Cc1cccc2ccccc21)NCc1ccccc1 ZINC000000363513 567935950 /nfs/dbraw/zinc/93/59/50/567935950.db2.gz GVSHHXQYKFIIRJ-UHFFFAOYSA-N 0 0 275.351 3.699 50 0 CHAARN Cc1ccc([C@@H](C)NC(=O)c2ccccc2)c(C)c1 ZINC000000295684 567935995 /nfs/dbraw/zinc/93/59/95/567935995.db2.gz DNHLRBVNDMUTCU-CQSZACIVSA-N 0 0 253.345 3.794 50 0 CHAARN O=C(c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000000300738 567936065 /nfs/dbraw/zinc/93/60/65/567936065.db2.gz SWKYTNAJGNVOCN-UHFFFAOYSA-N 0 0 279.383 3.782 50 0 CHAARN COC(=O)c1sccc1NC(=O)CCC1CCCCC1 ZINC000000483567 567936117 /nfs/dbraw/zinc/93/61/17/567936117.db2.gz OGXDZYWFTHCCAN-UHFFFAOYSA-N 0 0 295.404 3.834 50 0 CHAARN CCOc1ccc([C@H](C)NC(=O)c2ccccc2)cc1 ZINC000000439336 567936149 /nfs/dbraw/zinc/93/61/49/567936149.db2.gz YVVXAVCBCZBHFL-ZDUSSCGKSA-N 0 0 269.344 3.576 50 0 CHAARN COC(=O)c1ccc(COc2cccc(C)c2C)cc1 ZINC000000618324 567936726 /nfs/dbraw/zinc/93/67/26/567936726.db2.gz VGRNVXLBDXQXIM-UHFFFAOYSA-N 0 0 270.328 3.669 50 0 CHAARN O=C(Nc1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000002167186 567937574 /nfs/dbraw/zinc/93/75/74/567937574.db2.gz HPNGCTGBVCDHAO-UHFFFAOYSA-N 0 0 272.270 3.770 50 0 CHAARN O=C(c1cc2ccccc2cc1O)N1CCCCCC1 ZINC000002880749 567937863 /nfs/dbraw/zinc/93/78/63/567937863.db2.gz UZFYKNPYWRESDP-UHFFFAOYSA-N 0 0 269.344 3.562 50 0 CHAARN COc1ccc(OCCOc2cccc3cccnc32)cc1 ZINC000002985130 567937876 /nfs/dbraw/zinc/93/78/76/567937876.db2.gz OMHRKUVWXOEUAZ-UHFFFAOYSA-N 0 0 295.338 3.701 50 0 CHAARN FC(F)(F)Oc1cc(Br)cc2cc[nH]c21 ZINC000169725916 567939480 /nfs/dbraw/zinc/93/94/80/567939480.db2.gz VPDJCWPXSUDLEC-UHFFFAOYSA-N 0 0 280.043 3.829 50 0 CHAARN CC(C)[C@@H](CC(=O)N1CCCCC1)[C@@H]1CCOC(C)(C)C1 ZINC000000489098 567939644 /nfs/dbraw/zinc/93/96/44/567939644.db2.gz DIWJCFXHCCDHOB-HZPDHXFCSA-N 0 0 295.467 3.866 50 0 CHAARN Cc1c2oc(=O)c3c(c2cc2c1OC(C)(C)CC2)CCC3 ZINC000000489256 567939657 /nfs/dbraw/zinc/93/96/57/567939657.db2.gz ZKNOPHZVFBMBOM-UHFFFAOYSA-N 0 0 284.355 3.694 50 0 biogenic CHAARN CCCN1C(=O)N(c2ccc(C)cc2)[C@@](C)(O)CC1(C)C ZINC000000493870 567939902 /nfs/dbraw/zinc/93/99/02/567939902.db2.gz WVQTUIPIQWCXEY-KRWDZBQOSA-N 0 0 290.407 3.524 50 0 CHAARN CCC[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccccc1 ZINC000018135032 567940002 /nfs/dbraw/zinc/94/00/02/567940002.db2.gz YWCCOMQMHZJGKY-HNNXBMFYSA-N 0 0 293.370 3.834 50 0 CHAARN C[C@H](c1ccccc1)N(C)C(=O)Cc1c[nH]c2ccccc12 ZINC000018124628 567940157 /nfs/dbraw/zinc/94/01/57/567940157.db2.gz QWNGHIOWQDXLLU-CQSZACIVSA-N 0 0 292.382 3.930 50 0 CHAARN Cc1ccc(/C=C/C(=O)N2c3ccccc3C[C@H]2C)o1 ZINC000013013161 567940971 /nfs/dbraw/zinc/94/09/71/567940971.db2.gz AJINEUORKFWSTM-BZYZDCJZSA-N 0 0 267.328 3.579 50 0 CHAARN Nc1oc(=O)c2ccccc2c1Nc1ccc(Cl)cc1 ZINC000101425891 567941110 /nfs/dbraw/zinc/94/11/10/567941110.db2.gz DKCKXXIEVZVVMK-UHFFFAOYSA-N 0 0 286.718 3.772 50 0 CHAARN O=C1CCc2c3cc(OCc4ccccc4)ccc3[nH]c21 ZINC000000507522 567941441 /nfs/dbraw/zinc/94/14/41/567941441.db2.gz PGGVIXRQFMGSCZ-UHFFFAOYSA-N 0 0 277.323 3.876 50 0 CHAARN COc1ccc(O[C@@H](C)c2nc(-c3ccccc3)no2)cc1 ZINC000000514483 567941731 /nfs/dbraw/zinc/94/17/31/567941731.db2.gz DAIPTNBTEJEIJJ-LBPRGKRZSA-N 0 0 296.326 3.885 50 0 CHAARN CC(C)(CO)[C@@H]1O[C@@H]2CCCC[C@@H]2[C@H]2C=CCC[C@@H]21 ZINC000102805108 567942231 /nfs/dbraw/zinc/94/22/31/567942231.db2.gz UUJKDBXPGVPHKQ-IBEHDNSVSA-N 0 0 264.409 3.545 50 0 biogenic CHAARN O=C(c1ccc(F)cc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000000526271 567942429 /nfs/dbraw/zinc/94/24/29/567942429.db2.gz HNXHNCXRJJZJDA-UHFFFAOYSA-N 0 0 294.329 3.506 50 0 biogenic CHAARN C[C@H]1C[C@H](C)CN(c2ncnc3c4ccccc4[nH]c32)C1 ZINC000000521463 567942434 /nfs/dbraw/zinc/94/24/34/567942434.db2.gz BAGPADIMSAEOGA-RYUDHWBXSA-N 0 0 280.375 3.593 50 0 CHAARN CC(C)[C@H](N)c1nnc(SCc2ccccc2Cl)o1 ZINC000000532228 567942579 /nfs/dbraw/zinc/94/25/79/567942579.db2.gz UIAIXJSXYPXCBV-NSHDSACASA-N 0 0 297.811 3.671 50 0 CHAARN COc1oc(-c2cccc(C)c2)nc1C(F)(F)F ZINC000000543265 567942732 /nfs/dbraw/zinc/94/27/32/567942732.db2.gz HCOQVKXTYHIJOB-UHFFFAOYSA-N 0 0 257.211 3.677 50 0 CHAARN Cc1cc2c(nc(-c3cccc(C)c3)oc2=O)s1 ZINC000000551953 567943091 /nfs/dbraw/zinc/94/30/91/567943091.db2.gz GYLIUPCGLUKDGO-UHFFFAOYSA-N 0 0 257.314 3.533 50 0 CHAARN O=C1N[C@H](c2cccs2)Nc2sc3c(c21)CCCC3 ZINC000000565719 567943264 /nfs/dbraw/zinc/94/32/64/567943264.db2.gz NMFGNYAOXZIRFE-LBPRGKRZSA-N 0 0 290.413 3.543 50 0 aggregator CHAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccccc1 ZINC000015199010 567943769 /nfs/dbraw/zinc/94/37/69/567943769.db2.gz KHFJOQRDIWQSBQ-CQSZACIVSA-N 0 0 287.359 3.793 50 0 CHAARN Cc1cc(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)ccc1F ZINC000016738458 567944300 /nfs/dbraw/zinc/94/43/00/567944300.db2.gz AGAHXZNZDCBNEG-KGLIPLIRSA-N 0 0 298.313 3.849 50 0 CHAARN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NC2CCCCC2)o1 ZINC000016202640 567944400 /nfs/dbraw/zinc/94/44/00/567944400.db2.gz XQKXBURFIIYKFA-HQBMLVTCSA-N 0 0 273.376 3.865 50 0 CHAARN COc1ccc(CNc2ccccc2N2CCCC2)cc1O ZINC000019838480 567944785 /nfs/dbraw/zinc/94/47/85/567944785.db2.gz SNATWVJFORTLIU-UHFFFAOYSA-N 0 0 298.386 3.613 50 0 CHAARN C[C@@H](NCc1ccc(F)cc1)c1nc2ccccc2n1C ZINC000019943945 567945068 /nfs/dbraw/zinc/94/50/68/567945068.db2.gz YKMHIZYYUQRAAT-GFCCVEGCSA-N 0 0 283.350 3.563 50 0 CHAARN Cc1ncc(CN(C)Cc2ncc(-c3ccccc3)o2)s1 ZINC000047259524 567945517 /nfs/dbraw/zinc/94/55/17/567945517.db2.gz BJICMCQROPBWRE-UHFFFAOYSA-N 0 0 299.399 3.739 50 0 CHAARN CCC[C@H](C)N(C)C(=O)c1cc2ccccc2c(OC)n1 ZINC000048309331 567946352 /nfs/dbraw/zinc/94/63/52/567946352.db2.gz QYXGUWDGQOHVDC-LBPRGKRZSA-N 0 0 286.375 3.504 50 0 CHAARN CNC(=O)N(Cc1ccc(C)cc1)[C@H]1CCc2ccccc21 ZINC000048299704 567946365 /nfs/dbraw/zinc/94/63/65/567946365.db2.gz VZUCCUMEXYNVSD-SFHVURJKSA-N 0 0 294.398 3.824 50 0 CHAARN CC1(C)CC[C@H](Nc2ncccn2)c2ccccc21 ZINC000049480213 567946718 /nfs/dbraw/zinc/94/67/18/567946718.db2.gz GUZBTIMSKFSYEX-AWEZNQCLSA-N 0 0 253.349 3.701 50 0 CHAARN Cn1ncc2c1NC(=O)C[C@H]2c1cccc2ccccc21 ZINC000049548958 567946863 /nfs/dbraw/zinc/94/68/63/567946863.db2.gz PWSRUUMVAISOIH-AWEZNQCLSA-N 0 0 277.327 3.697 50 0 CHAARN Cc1ccc(-c2nc(C(=O)N3CCCC3)cs2)c(C)c1 ZINC000049492407 567946874 /nfs/dbraw/zinc/94/68/74/567946874.db2.gz XAHKVNNZICRFKN-UHFFFAOYSA-N 0 0 286.400 3.663 50 0 CHAARN CC(C)C[NH2+]Cc1ccc(-c2ccc(C(=O)[O-])s2)cc1 ZINC000032597772 567948706 /nfs/dbraw/zinc/94/87/06/567948706.db2.gz GPQSAGOCBAKQLA-UHFFFAOYSA-N 0 0 289.400 3.859 50 0 CHAARN COc1cccc(NC(=O)CCOc2cccc(C)c2C)c1 ZINC000024483241 567948775 /nfs/dbraw/zinc/94/87/75/567948775.db2.gz VVFFZYPELGTBRP-UHFFFAOYSA-N 0 0 299.370 3.720 50 0 CHAARN CC[C@H](NC(=O)c1nc(C(C)C)cs1)c1cccnc1 ZINC000223746523 567950764 /nfs/dbraw/zinc/95/07/64/567950764.db2.gz LRUMIVMXHSFATJ-LBPRGKRZSA-N 0 0 289.404 3.543 50 0 CHAARN Cc1ccc([C@H]2CN(CCC(F)(F)F)CCO2)c(C)c1 ZINC000225431884 567953405 /nfs/dbraw/zinc/95/34/05/567953405.db2.gz IVGAGQFJDYONSM-CQSZACIVSA-N 0 0 287.325 3.629 50 0 CHAARN Fc1cccc(Cl)c1NCc1noc(-c2ccoc2)n1 ZINC000225501709 567953622 /nfs/dbraw/zinc/95/36/22/567953622.db2.gz NXEREUNVCNQNEE-UHFFFAOYSA-N 0 0 293.685 3.734 50 0 CHAARN Cn1c(SCCCC(C)(C)C)nnc1C(F)F ZINC000225437038 567953767 /nfs/dbraw/zinc/95/37/67/567953767.db2.gz MKBTYRYSVXREPJ-UHFFFAOYSA-N 0 0 263.357 3.671 50 0 CHAARN CC(C)(C)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000029377511 567953901 /nfs/dbraw/zinc/95/39/01/567953901.db2.gz FEJQZHGMKCTWCN-UHFFFAOYSA-N 0 0 261.365 3.993 50 0 CHAARN O=C(/C=C/c1ccco1)Nc1cccc(C(F)(F)F)c1 ZINC000001404394 567955339 /nfs/dbraw/zinc/95/53/39/567955339.db2.gz ZOEVSMHNTNZMSQ-VOTSOKGWSA-N 0 0 281.233 3.950 50 0 CHAARN CSc1nc2nc(-c3ccc(C)cc3)oc2c(=S)[nH]1 ZINC000041155010 567956281 /nfs/dbraw/zinc/95/62/81/567956281.db2.gz KRYHVVGJXQKCIX-UHFFFAOYSA-N 0 0 289.385 3.604 50 0 CHAARN CC[C@H](CNC(=O)c1ccccc1)c1ccc(F)cc1 ZINC000227154718 567956314 /nfs/dbraw/zinc/95/63/14/567956314.db2.gz IIZISMTUSFFPMG-CYBMUJFWSA-N 0 0 271.335 3.749 50 0 CHAARN O=C(Nc1ccccc1OC(F)F)N1CCCCCC1 ZINC000058208860 567956412 /nfs/dbraw/zinc/95/64/12/567956412.db2.gz VTRUYJBARFDPOA-UHFFFAOYSA-N 0 0 284.306 3.696 50 0 CHAARN Brc1cccc2c(Br)nccc12 ZINC000026507152 570232412 /nfs/dbraw/zinc/23/24/12/570232412.db2.gz SKYCABFBFRHWLJ-UHFFFAOYSA-N 0 0 286.954 3.760 50 0 CHAARN CC(C)NC(=O)/C=C/c1cccc(Cl)c1Cl ZINC000032973817 570233795 /nfs/dbraw/zinc/23/37/95/570233795.db2.gz PCQZQYBKCQXONZ-VOTSOKGWSA-N 0 0 258.148 3.531 50 0 CHAARN COC(=O)C(C)(C)CCCOc1cc(C)ccc1C ZINC000002524892 570215191 /nfs/dbraw/zinc/21/51/91/570215191.db2.gz YKCQSETYDHFYFZ-UHFFFAOYSA-N 0 0 264.365 3.662 50 0 CHAARN O=C(NC1CCCCCC1)c1ccccc1Cl ZINC000000272423 570218615 /nfs/dbraw/zinc/21/86/15/570218615.db2.gz GVZZYZHKWJWMDV-UHFFFAOYSA-N 0 0 251.757 3.793 50 0 CHAARN O=C(Nc1cccc2ccccc21)c1ccccc1O ZINC000000073206 570218648 /nfs/dbraw/zinc/21/86/48/570218648.db2.gz KNDXRSHNJYVDFS-UHFFFAOYSA-N 0 0 263.296 3.798 50 0 CHAARN CC1CCN(c2nc(Cl)nc3ccccc32)CC1 ZINC000011756100 570220198 /nfs/dbraw/zinc/22/01/98/570220198.db2.gz IVXIVJCXRJVQTI-UHFFFAOYSA-N 0 0 261.756 3.520 50 0 CHAARN COc1ccccc1O[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000011636415 570220092 /nfs/dbraw/zinc/22/00/92/570220092.db2.gz LBDPSSTXDLNDHI-CQSZACIVSA-N 0 0 299.370 3.718 50 0 CHAARN COc1cccc(Oc2nc3ccccc3nc2C)c1 ZINC000032771193 570222275 /nfs/dbraw/zinc/22/22/75/570222275.db2.gz ZIPNTLHVLXBYIJ-UHFFFAOYSA-N 0 0 266.300 3.739 50 0 CHAARN C[C@@H]1C[C@H](C)CN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000017007472 570226792 /nfs/dbraw/zinc/22/67/92/570226792.db2.gz JTMVKNGQPFBSBJ-LYPFPBCHSA-N 0 0 275.436 3.707 50 0 CHAARN COc1cccc2cc([C@@H](C)NC(=O)C[C@@H]3C=CCC3)oc21 ZINC000025190468 570229732 /nfs/dbraw/zinc/22/97/32/570229732.db2.gz VYMOUJPIFNOMRL-CHWSQXEVSA-N 0 0 299.370 3.975 50 0 CHAARN COc1cccc2cc([C@H](C)NC(=O)[C@@H]3CC=CCC3)oc21 ZINC000025138919 570229801 /nfs/dbraw/zinc/22/98/01/570229801.db2.gz VUIYLGNYLFSWLZ-QWHCGFSZSA-N 0 0 299.370 3.975 50 0 CHAARN CC[C@H](C)C(=O)N[C@H](C)c1cc2cccc(OC)c2o1 ZINC000025197134 570229837 /nfs/dbraw/zinc/22/98/37/570229837.db2.gz GJSQIWVHBATQJN-WDEREUQCSA-N 0 0 275.348 3.665 50 0 CHAARN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@H]1C=CCC1)CC3 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/nfs/dbraw/zinc/37/21/01/570372101.db2.gz OZJZEAJMAKJHAP-KRWDZBQOSA-N 0 0 288.354 3.643 50 0 CHAARN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1Cl ZINC000227220809 570372354 /nfs/dbraw/zinc/37/23/54/570372354.db2.gz ANIHBXNOLWEZJC-CQDKDKBSSA-N 0 0 293.794 3.558 50 0 CHAARN C[C@@H](O)C[C@H]1CCCCN1Cc1csc(C(C)(C)C)n1 ZINC000225728949 570372369 /nfs/dbraw/zinc/37/23/69/570372369.db2.gz GUNBQHLWLFZASS-TZMCWYRMSA-N 0 0 296.480 3.566 50 0 CHAARN CC1(C)CCc2cc3c(cc2O1)oc(=O)c1c3CCCC1 ZINC000002129750 570374236 /nfs/dbraw/zinc/37/42/36/570374236.db2.gz KMTRKXDDBOQWET-UHFFFAOYSA-N 0 0 284.355 3.775 50 0 biogenic CHAARN O=C1OC(/C=C\c2ccccc2)=N/C1=C/C=C/c1ccco1 ZINC000252641326 570377959 /nfs/dbraw/zinc/37/79/59/570377959.db2.gz ZBVYRGYHZAXHOO-MTJJYHRDSA-N 0 0 291.306 3.845 50 0 CHAARN Cc1cccnc1-c1nc(-c2ccccc2O)cs1 ZINC000219039476 570380678 /nfs/dbraw/zinc/38/06/78/570380678.db2.gz DIVZQLIZKVKPML-UHFFFAOYSA-N 0 0 268.341 3.886 50 0 CHAARN O=c1oc2cc(OCc3ccccc3)ccc2c2c1CCC2 ZINC000000129960 570382269 /nfs/dbraw/zinc/38/22/69/570382269.db2.gz XQVDQBUDJDSCEP-UHFFFAOYSA-N 0 0 292.334 3.861 50 0 biogenic CHAARN COc1ccc(CCCC(=O)NC2CCCCC2)cc1C ZINC000000237625 570382527 /nfs/dbraw/zinc/38/25/27/570382527.db2.gz QCWQXBUIHFWRBC-UHFFFAOYSA-N 0 0 289.419 3.775 50 0 CHAARN COc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000000188391 570382570 /nfs/dbraw/zinc/38/25/70/570382570.db2.gz FACULVIHLNBDEG-UHFFFAOYSA-N 0 0 298.367 3.866 50 0 CHAARN CC(C)n1cc(NC(=O)N2CCCC(C)(C)CC2)cn1 ZINC000098016310 570383115 /nfs/dbraw/zinc/38/31/15/570383115.db2.gz LFNLAGNBFRTGJT-UHFFFAOYSA-N 0 0 278.400 3.508 50 0 CHAARN Cc1oc(C(C)C)nc1C(=O)N(C)c1ccc(C)c(C)c1 ZINC000065293512 570384087 /nfs/dbraw/zinc/38/40/87/570384087.db2.gz NWBMRSCJQLOLFM-UHFFFAOYSA-N 0 0 286.375 4.000 50 0 CHAARN O=S1(=O)CCC[C@@H](CSCC2CCCCCC2)C1 ZINC000253415818 570385413 /nfs/dbraw/zinc/38/54/13/570385413.db2.gz BXUOYRSZCXQIAE-AWEZNQCLSA-N 0 0 290.494 3.515 50 0 CHAARN CN(CCCC1CCCC1)C(=O)c1cc(O)ccc1F ZINC000584893712 570385591 /nfs/dbraw/zinc/38/55/91/570385591.db2.gz RIXKACXRNBPGSR-UHFFFAOYSA-N 0 0 279.355 3.574 50 0 CHAARN CCOP(=O)(Cc1cc(C(=O)CC)c(C)o1)OCC ZINC000002294433 570385769 /nfs/dbraw/zinc/38/57/69/570385769.db2.gz BDHAQAPRBNYTGI-UHFFFAOYSA-N 0 0 288.280 3.947 50 0 CHAARN O=C(NCc1cncc(-c2cccs2)c1)[C@H]1CC=CCC1 ZINC000225664710 570387531 /nfs/dbraw/zinc/38/75/31/570387531.db2.gz OKIJREYYAWAIGJ-AWEZNQCLSA-N 0 0 298.411 3.783 50 0 CHAARN Cc1cccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c1 ZINC000012893243 570390419 /nfs/dbraw/zinc/39/04/19/570390419.db2.gz IMFPRWOTDGLHFV-QGZVFWFLSA-N 0 0 296.370 3.600 50 0 CHAARN CC[C@@H]1CO[C@@H](Cn2c3ccccc3c3ccccc32)O1 ZINC000002357058 570390473 /nfs/dbraw/zinc/39/04/73/570390473.db2.gz OUEUSWBXKLGSDC-FZKQIMNGSA-N 0 0 281.355 3.946 50 0 CHAARN Cc1ccccc1NC(=O)c1coc(Br)c1 ZINC000012932920 570390580 /nfs/dbraw/zinc/39/05/80/570390580.db2.gz XFOBGVMTHPOSKV-UHFFFAOYSA-N 0 0 280.121 3.603 50 0 CHAARN Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[C@@H](C)C1 ZINC000012953179 570390598 /nfs/dbraw/zinc/39/05/98/570390598.db2.gz NROSCWJKDBKFMY-GFCCVEGCSA-N 0 0 284.359 3.522 50 0 CHAARN COc1ccc(/C=C/c2cncc(C)n2)cc1SC ZINC000225454086 570394201 /nfs/dbraw/zinc/39/42/01/570394201.db2.gz UWKGLAYCWRRWCA-GQCTYLIASA-N 0 0 272.373 3.686 50 0 CHAARN CC(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 ZINC000012767770 570395572 /nfs/dbraw/zinc/39/55/72/570395572.db2.gz RZCWRVNPDOVAJW-UHFFFAOYSA-N 0 0 291.709 3.934 50 0 CHAARN COCc1ccccc1NC(=O)Nc1cc(C)ccc1F ZINC000079101221 570396411 /nfs/dbraw/zinc/39/64/11/570396411.db2.gz HUZJQJZBIQITAY-UHFFFAOYSA-N 0 0 288.322 3.925 50 0 CHAARN O=C(Nc1ccccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000002628409 570397268 /nfs/dbraw/zinc/39/72/68/570397268.db2.gz YSMDMNKULDMTJV-UHFFFAOYSA-N 0 0 299.223 3.977 50 0 CHAARN Cc1nc2ccc(NC(=O)CC(C)(C)C)cc2s1 ZINC000002628414 570397307 /nfs/dbraw/zinc/39/73/07/570397307.db2.gz UCUVJFLXKZELQD-UHFFFAOYSA-N 0 0 262.378 3.979 50 0 CHAARN CCn1nc(C)c2c1nc(-c1ccco1)cc2C(F)F ZINC000002732399 570398341 /nfs/dbraw/zinc/39/83/41/570398341.db2.gz PVUPXRGRBQFFKB-UHFFFAOYSA-N 0 0 277.274 3.957 50 0 CHAARN CC(=O)c1ccc(NC(=O)CCOc2cccc(C)c2)cc1 ZINC000003345979 570398786 /nfs/dbraw/zinc/39/87/86/570398786.db2.gz ZZNGXPALJGBEJL-UHFFFAOYSA-N 0 0 297.354 3.605 50 0 CHAARN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc(C2CC2)on1 ZINC000172238661 570400834 /nfs/dbraw/zinc/40/08/34/570400834.db2.gz DRYUWJSPAPYAMK-SWLSCSKDSA-N 0 0 296.370 3.570 50 0 CHAARN O=C(CCC1CCCC1)NCCCNc1ccccc1 ZINC000068508373 570401216 /nfs/dbraw/zinc/40/12/16/570401216.db2.gz RAWSXGXMLCRGTK-UHFFFAOYSA-N 0 0 274.408 3.575 50 0 CHAARN Cc1nc(-c2ccsc2)ccc1C(=O)N1CCCCC1 ZINC000069663341 570402107 /nfs/dbraw/zinc/40/21/07/570402107.db2.gz HGALTTQWNBJOCW-UHFFFAOYSA-N 0 0 286.400 3.745 50 0 CHAARN Cc1ccccc1SCc1nnc(C2CCC2)o1 ZINC000069702071 570402133 /nfs/dbraw/zinc/40/21/33/570402133.db2.gz ONKVCODCZUKMGT-UHFFFAOYSA-N 0 0 260.362 3.938 50 0 CHAARN Cn1c(CSc2cccc(Cl)c2)nnc1C1CC1 ZINC000069705923 570402155 /nfs/dbraw/zinc/40/21/55/570402155.db2.gz FQFSRXPQCQJKGG-UHFFFAOYSA-N 0 0 279.796 3.638 50 0 CHAARN Cc1cnccc1NC(=O)[C@H](C)SCc1ccccc1 ZINC000069736989 570402254 /nfs/dbraw/zinc/40/22/54/570402254.db2.gz MKWCKLBDRRNFGF-ZDUSSCGKSA-N 0 0 286.400 3.650 50 0 CHAARN Cc1csc(-c2cccc(NC(=O)N3CCCC3)c2)n1 ZINC000069808883 570402579 /nfs/dbraw/zinc/40/25/79/570402579.db2.gz AITHZEBRAKPVBM-UHFFFAOYSA-N 0 0 287.388 3.746 50 0 CHAARN Cc1nnc([C@H](C)N[C@H](c2ccccc2)C2CCC2)o1 ZINC000069811552 570402587 /nfs/dbraw/zinc/40/25/87/570402587.db2.gz UINSAVGPZVANMD-XHDPSFHLSA-N 0 0 271.364 3.570 50 0 CHAARN Cc1ccccc1[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000069846338 570402913 /nfs/dbraw/zinc/40/29/13/570402913.db2.gz NXOHNFOZIPDHGG-HNNXBMFYSA-N 0 0 257.377 3.501 50 0 CHAARN CCOc1ccc(C(=O)N2C[C@H](C)Oc3ccccc32)cc1 ZINC000041155806 570403471 /nfs/dbraw/zinc/40/34/71/570403471.db2.gz XCZQWWHMDXQILQ-ZDUSSCGKSA-N 0 0 297.354 3.513 50 0 CHAARN Cc1ccc(Nc2cc(N3CCCCC3)ncn2)cc1C ZINC000009561399 570404066 /nfs/dbraw/zinc/40/40/66/570404066.db2.gz KYWZNYQPUQNRAI-UHFFFAOYSA-N 0 0 282.391 3.827 50 0 CHAARN CCONC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000009725608 570404518 /nfs/dbraw/zinc/40/45/18/570404518.db2.gz AAHNQRAQGDXZHA-UHFFFAOYSA-N 0 0 298.367 3.645 50 0 CHAARN Cc1oc(-c2ccco2)nc1COc1ccc(C)cn1 ZINC000077240427 570405012 /nfs/dbraw/zinc/40/50/12/570405012.db2.gz XUDCWCZFPCODJK-UHFFFAOYSA-N 0 0 270.288 3.525 50 0 CHAARN Fc1cc2ncc(Oc3cncc(Cl)c3)nc2cc1F ZINC000077986065 570405233 /nfs/dbraw/zinc/40/52/33/570405233.db2.gz IZLFYYVISFCTRN-UHFFFAOYSA-N 0 0 293.660 3.749 50 0 CHAARN CC(C)(C)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000027380895 570409211 /nfs/dbraw/zinc/40/92/11/570409211.db2.gz ILDAVUWUGCDCGW-GFCCVEGCSA-N 0 0 286.375 3.580 50 0 CHAARN Cc1cc(=O)c2c(C3CCCC3)nn(-c3ccccc3)c2[nH]1 ZINC000032714674 570409502 /nfs/dbraw/zinc/40/95/02/570409502.db2.gz YYRJBAKPGWOWEG-UHFFFAOYSA-N 0 0 293.370 3.680 50 0 CHAARN O=C(c1cc(Cl)ccn1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000032731057 570409518 /nfs/dbraw/zinc/40/95/18/570409518.db2.gz YLMNECIKGRFTAK-SMDDNHRTSA-N 0 0 278.783 3.530 50 0 CHAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1C[C@H]1C ZINC000032787306 570409805 /nfs/dbraw/zinc/40/98/05/570409805.db2.gz CNHIKPNLBUBMQU-GBIKHYSHSA-N 0 0 251.757 3.515 50 0 CHAARN CC[C@@H](C)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000032895526 570410357 /nfs/dbraw/zinc/41/03/57/570410357.db2.gz BVDRLUUODRXIOK-GFCCVEGCSA-N 0 0 286.375 3.580 50 0 CHAARN C[C@H](c1cccs1)N(C)C(=O)c1ccc(F)cc1 ZINC000037979217 570411827 /nfs/dbraw/zinc/41/18/27/570411827.db2.gz GSLGCYWIMLDQPR-SNVBAGLBSA-N 0 0 263.337 3.720 50 0 CHAARN O=C1/C(=C/c2ccccc2)CC[C@]2(CCCO2)[C@@]12CCCO2 ZINC000039129714 570412194 /nfs/dbraw/zinc/41/21/94/570412194.db2.gz RUANXNKNYYZHHD-VVTZJZJLSA-N 0 0 298.382 3.531 50 0 CHAARN O=C(c1ccccc1Cl)N1CCC[C@@H]1c1ccc[nH]1 ZINC000048687241 570412889 /nfs/dbraw/zinc/41/28/89/570412889.db2.gz DEEDDHNGHGKHLO-CQSZACIVSA-N 0 0 274.751 3.645 50 0 CHAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O ZINC000034886826 574414279 /nfs/dbraw/zinc/41/42/79/574414279.db2.gz FMGSKLZLMKYGDP-BBNZPBLFSA-N 0 0 288.431 3.879 50 0 endogenous,world CHAARN CC1(C)C[C@H]1C(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000952967878 614782063 /nfs/dbraw/zinc/78/20/63/614782063.db2.gz FBSQHAGDCNXUER-HNNXBMFYSA-N 0 0 282.387 3.705 50 0 CHAARN CCCCN(C(=O)c1csc(C)n1)C1CCCC1 ZINC000952985345 614946860 /nfs/dbraw/zinc/94/68/60/614946860.db2.gz ATMGAGUKKLQKIP-UHFFFAOYSA-N 0 0 266.410 3.636 50 0 CHAARN CCCCc1nnc2sc(-c3ccc(C)cc3)nn12 ZINC000011277856 1125482444 /nfs/dbraw/zinc/48/24/44/1125482444.db2.gz KBOWCWJRAMHRHR-UHFFFAOYSA-N 0 0 272.377 3.504 50 0 CHAARN Clc1cc(Oc2ncccn2)ccc1Br ZINC000307255134 1123004591 /nfs/dbraw/zinc/00/45/91/1123004591.db2.gz AHXGMXCIPLCEDM-UHFFFAOYSA-N 0 0 285.528 3.685 50 0 CHAARN Clc1oc2ccccc2c1Cn1cnc(C2CC2)n1 ZINC000622019124 1125555499 /nfs/dbraw/zinc/55/54/99/1125555499.db2.gz MZCGTMAHBSIBLA-UHFFFAOYSA-N 0 0 273.723 3.603 50 0 CHAARN CCSc1ccccc1OCc1csc(COC)n1 ZINC000089275349 1125568621 /nfs/dbraw/zinc/56/86/21/1125568621.db2.gz OHCWXTWMPAVVJF-UHFFFAOYSA-N 0 0 295.429 3.981 50 0 CHAARN CC(=O)c1cc(CCC(=O)Nc2cccc(C)c2C)oc1C ZINC000025057200 1125587205 /nfs/dbraw/zinc/58/72/05/1125587205.db2.gz KRDGWWLUDKIAEA-UHFFFAOYSA-N 0 0 299.370 3.979 50 0 CHAARN CC(C)C(=O)Nc1nc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000027583423 1125594116 /nfs/dbraw/zinc/59/41/16/1125594116.db2.gz CFBMXCGSZJVKGC-JTQLQIEISA-N 0 0 280.437 3.889 50 0 CHAARN COc1ccc(Cl)cc1N1C=CC(C)(C)NC1=S ZINC000054957152 1125655535 /nfs/dbraw/zinc/65/55/35/1125655535.db2.gz GMAMXFKPHFYCRS-UHFFFAOYSA-N 0 0 282.796 3.747 50 0 CHAARN CCCN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cccnc1 ZINC000055325789 1125658598 /nfs/dbraw/zinc/65/85/98/1125658598.db2.gz APGPFZKVYCSSKF-UHFFFAOYSA-N 0 0 286.423 3.514 50 0 CHAARN O=C1OC(c2cccs2)=N/C1=C/c1ccc(Cl)cc1 ZINC000003248308 1125681029 /nfs/dbraw/zinc/68/10/29/1125681029.db2.gz AJJWFWPJTBEWIG-DHZHZOJOSA-N 0 0 289.743 3.746 50 0 CHAARN 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COc1ccc2c(c1)N=C/C2=C\C=C1C=CN(C)C=C1 ZINC000334157085 206120857 /nfs/dbraw/zinc/12/08/57/206120857.db2.gz DSYYFEGPVKENMU-LNKIKWGQSA-N 0 0 264.328 3.694 50 0 CHAARN Cc1cccc(C(C)(C)CNC(=O)c2conc2C2CC2)c1 ZINC000253418294 189990717 /nfs/dbraw/zinc/99/07/17/189990717.db2.gz NYHQNANLUHVTBR-UHFFFAOYSA-N 0 0 298.386 3.568 50 0 CHAARN COc1ccc(Br)c(F)c1OC1CCCC1 ZINC000261494320 190039649 /nfs/dbraw/zinc/03/96/49/190039649.db2.gz UWUBQEWRYSDIPU-UHFFFAOYSA-N 0 0 289.144 3.918 50 0 CHAARN COc1ccc(COc2cc(O)cc(C(F)(F)F)c2)cc1 ZINC000261494130 190039840 /nfs/dbraw/zinc/03/98/40/190039840.db2.gz QOIKNHDCRRXYDZ-UHFFFAOYSA-N 0 0 298.260 3.999 50 0 CHAARN Nc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cn1 ZINC000257355051 190037715 /nfs/dbraw/zinc/03/77/15/190037715.db2.gz KHPCIHZXOGHCLY-UHFFFAOYSA-N 0 0 296.761 3.628 50 0 in-vitro CHAARN C[C@]12CC[C@@H]3C[C@@]31C(=O)C[C@@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@H]12 ZINC000257345525 190037867 /nfs/dbraw/zinc/03/78/67/190037867.db2.gz ABXKYAJHLPGJLD-JSQALSTESA-N 0 0 286.415 3.777 50 0 CHAARN Cc1ccc(NC(=O)N(C)Cc2ccccc2)cc1 ZINC000002592593 169814659 /nfs/dbraw/zinc/81/46/59/169814659.db2.gz GRQGITNZCADPCG-UHFFFAOYSA-N 0 0 254.333 3.659 50 0 CHAARN Nc1cc(Br)c(Cl)c(OC(F)(F)F)c1 ZINC000263624637 190071116 /nfs/dbraw/zinc/07/11/16/190071116.db2.gz SDSLQBDCPAVTGF-UHFFFAOYSA-N 0 0 290.466 3.583 50 0 CHAARN CC1CCC(NC(=O)c2cc3ccccc3o2)CC1 ZINC000000026534 169508073 /nfs/dbraw/zinc/50/80/73/169508073.db2.gz ASIMMWIIASPCRZ-UHFFFAOYSA-N 0 0 257.333 3.741 50 0 CHAARN CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000000029960 169508880 /nfs/dbraw/zinc/50/88/80/169508880.db2.gz QSXMXGTYDKFLCS-ZDUSSCGKSA-N 0 0 269.344 3.576 50 0 CHAARN Cc1cccc(C(=O)Nc2ccc3ncccc3c2)c1 ZINC000000031389 169510201 /nfs/dbraw/zinc/51/02/01/169510201.db2.gz CDIKGSIIZJRJTH-UHFFFAOYSA-N 0 0 262.312 3.796 50 0 CHAARN CC(C)(C)c1ccc(C2=CSC3=NCCN23)cc1 ZINC000000042074 169515123 /nfs/dbraw/zinc/51/51/23/169515123.db2.gz JYQXRBUBZOMXJX-UHFFFAOYSA-N 0 0 258.390 3.701 50 0 CHAARN CC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000000044438 169516073 /nfs/dbraw/zinc/51/60/73/169516073.db2.gz WJEMQXRZUPZOPW-UHFFFAOYSA-N 0 0 297.354 3.524 50 0 CHAARN Cc1ccc(C)c(NC(=O)COc2cc(C)cc(C)c2)c1 ZINC000000044478 169516086 /nfs/dbraw/zinc/51/60/86/169516086.db2.gz UGBLSVCBWDXSCG-UHFFFAOYSA-N 0 0 283.371 3.938 50 0 CHAARN O=C(Nc1nccs1)c1ccc(Cl)cc1Cl ZINC000000060026 169521996 /nfs/dbraw/zinc/52/19/96/169521996.db2.gz TYJWBXUICUJRNJ-UHFFFAOYSA-N 0 0 273.144 3.702 50 0 CHAARN O=C1CS[C@@H](c2ccccc2F)N1Cc1ccccc1 ZINC000000072746 169526173 /nfs/dbraw/zinc/52/61/73/169526173.db2.gz GZKXNJUUFCLOMO-INIZCTEOSA-N 0 0 287.359 3.600 50 0 CHAARN CCc1ccc2[nH]c3nc(SC(C)C)nnc3c2c1 ZINC000000086178 169531359 /nfs/dbraw/zinc/53/13/59/169531359.db2.gz KBUXVJUEJCQQER-UHFFFAOYSA-N 0 0 272.377 3.569 50 0 CHAARN COc1cc(C)c2c(c1)occ(-c1nc(C)cs1)c2=O ZINC000000083921 169530346 /nfs/dbraw/zinc/53/03/46/169530346.db2.gz FEKDJTCSNLHLJO-UHFFFAOYSA-N 0 0 287.340 3.542 50 0 biogenic CHAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCC(C)CC1 ZINC000000095803 169534699 /nfs/dbraw/zinc/53/46/99/169534699.db2.gz LWIOGRQDRREVFD-UHFFFAOYSA-N 0 0 284.359 3.522 50 0 CHAARN CN(C)C(=O)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC000000106776 169538279 /nfs/dbraw/zinc/53/82/79/169538279.db2.gz RVINDLLVADAUFN-UHFFFAOYSA-N 0 0 285.130 3.602 50 0 CHAARN Cc1cc(C)cc(NC(=O)COc2cc(C)cc(C)c2)c1 ZINC000000114891 169541224 /nfs/dbraw/zinc/54/12/24/169541224.db2.gz QZUYXTVSWYKBNM-UHFFFAOYSA-N 0 0 283.371 3.938 50 0 CHAARN O=C(Nc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000000136104 169549567 /nfs/dbraw/zinc/54/95/67/169549567.db2.gz QRKJOEDGVGFSHE-UHFFFAOYSA-N 0 0 294.123 3.841 50 0 CHAARN O=C(c1ccc(F)cc1)[C@H]1C[C@@H]1C(=O)c1ccc(F)cc1 ZINC000000140784 169551781 /nfs/dbraw/zinc/55/17/81/169551781.db2.gz CSPBPSIPTXLCNX-GJZGRUSLSA-N 0 0 286.277 3.667 50 0 CHAARN CC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)nc1C ZINC000000149121 169554752 /nfs/dbraw/zinc/55/47/52/169554752.db2.gz RJASYARWPWIJED-UHFFFAOYSA-N 0 0 294.763 3.560 50 0 CHAARN CSCc1ccc(C(=O)Nc2ccc(C)cc2O)cc1 ZINC000000166222 169560340 /nfs/dbraw/zinc/56/03/40/169560340.db2.gz JSZHTHZRYQYAPD-UHFFFAOYSA-N 0 0 287.384 3.816 50 0 CHAARN CCOc1ccc(Cc2c(C)nc(C)nc2Cl)cc1 ZINC000000177158 169565426 /nfs/dbraw/zinc/56/54/26/169565426.db2.gz KEMHWWOUAFQTQX-UHFFFAOYSA-N 0 0 276.767 3.736 50 0 CHAARN Nc1c(-c2ccccc2)cnc2cc(-c3ccccc3)nn21 ZINC000000208700 169575152 /nfs/dbraw/zinc/57/51/52/169575152.db2.gz LZGYTCYRPUXDRI-UHFFFAOYSA-N 0 0 286.338 3.646 50 0 CHAARN CC[C@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1ccc(Cl)cc1 ZINC000000226618 169580391 /nfs/dbraw/zinc/58/03/91/169580391.db2.gz BACBEVFAACTKOF-VXGBXAGGSA-N 0 0 280.751 3.559 50 0 CHAARN Nc1ccc(-c2nc3c(ccc4ccccc34)[nH]2)cc1 ZINC000000253372 169588151 /nfs/dbraw/zinc/58/81/51/169588151.db2.gz ICNQHIYFQMEHON-UHFFFAOYSA-N 0 0 259.312 3.965 50 0 CHAARN O=C(Nc1ccc(Cl)cc1)OCc1ccco1 ZINC000000276831 169595296 /nfs/dbraw/zinc/59/52/96/169595296.db2.gz SMBUDJSIYMATPH-UHFFFAOYSA-N 0 0 251.669 3.682 50 0 CHAARN O=C(Nc1ccccc1Br)c1ccc(F)cc1 ZINC000000292157 169598958 /nfs/dbraw/zinc/59/89/58/169598958.db2.gz XZGREDBCEIYUGT-UHFFFAOYSA-N 0 0 294.123 3.841 50 0 CHAARN COc1ccc(-c2nc3ccccc3s2)cc1N ZINC000000304792 169603235 /nfs/dbraw/zinc/60/32/35/169603235.db2.gz MSIJNZJXLMCTNP-UHFFFAOYSA-N 0 0 256.330 3.554 50 0 CHAARN COc1ccccc1COc1ccc2c(C)cc(=O)oc2c1 ZINC000000307989 169604020 /nfs/dbraw/zinc/60/40/20/169604020.db2.gz BKALWXYATRQDCO-UHFFFAOYSA-N 0 0 296.322 3.689 50 0 biogenic CHAARN COc1ccc(Cl)cc1NC(=O)/C=C/c1ccco1 ZINC000000309812 169604729 /nfs/dbraw/zinc/60/47/29/169604729.db2.gz GIDFIXGPJRUEND-FNORWQNLSA-N 0 0 277.707 3.594 50 0 CHAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1 ZINC000000319129 169607242 /nfs/dbraw/zinc/60/72/42/169607242.db2.gz VSXOOTBBUZREIT-UHFFFAOYSA-N 0 0 278.311 3.902 50 0 CHAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1 ZINC000000318487 169607449 /nfs/dbraw/zinc/60/74/49/169607449.db2.gz XGGBKANBFOGYAV-HZPDHXFCSA-N 0 0 297.398 3.591 50 0 CHAARN Cc1cc(C(F)(F)Cl)n2ncc(-c3ccccc3)c2n1 ZINC000000342322 169611923 /nfs/dbraw/zinc/61/19/23/169611923.db2.gz GNXKPZYCJKSUEV-UHFFFAOYSA-N 0 0 293.704 3.993 50 0 CHAARN CCOc1ccccc1C(=O)Oc1ccc(C)cc1C ZINC000000363890 169618034 /nfs/dbraw/zinc/61/80/34/169618034.db2.gz YVYTZAJSZWZRGZ-UHFFFAOYSA-N 0 0 270.328 3.921 50 0 CHAARN CC[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1OC ZINC000000372617 169621293 /nfs/dbraw/zinc/62/12/93/169621293.db2.gz ASRUPMZXUYWITP-LBPRGKRZSA-N 0 0 281.783 3.753 50 0 CHAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000000373147 169621519 /nfs/dbraw/zinc/62/15/19/169621519.db2.gz HHNBSZFQIIWTAP-LLVKDONJSA-N 0 0 275.735 3.746 50 0 CHAARN CC(C)c1ccc(/C=C/C(=O)NCc2ccco2)cc1 ZINC000000375695 169622634 /nfs/dbraw/zinc/62/26/34/169622634.db2.gz ZDPDXRHYXJDIFZ-JXMROGBWSA-N 0 0 269.344 3.733 50 0 CHAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000000380192 169623821 /nfs/dbraw/zinc/62/38/21/169623821.db2.gz OWDKZOJVKDHUMD-UHFFFAOYSA-N 0 0 295.791 3.758 50 0 CHAARN CC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000000382449 169624563 /nfs/dbraw/zinc/62/45/63/169624563.db2.gz FDACPLQGYOKETO-QGZVFWFLSA-N 0 0 296.370 3.777 50 0 CHAARN C[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)cc1 ZINC000000396442 169629675 /nfs/dbraw/zinc/62/96/75/169629675.db2.gz LABSAYPVJHVXER-SNVBAGLBSA-N 0 0 252.745 3.746 50 0 CHAARN CSc1cccc(NC(=O)N2CCCC[C@H]2C)c1 ZINC000000400409 169631055 /nfs/dbraw/zinc/63/10/55/169631055.db2.gz HWDOUOJKKLQTBE-LLVKDONJSA-N 0 0 264.394 3.815 50 0 CHAARN COc1ccc(CNc2ccc(C)cc2)cc1OC ZINC000000394985 169628785 /nfs/dbraw/zinc/62/87/85/169628785.db2.gz RDVKCCRDEYWIJZ-UHFFFAOYSA-N 0 0 257.333 3.624 50 0 CHAARN O=C(Nc1ccncc1)c1cc(Cl)ccc1Cl ZINC000000434561 169639846 /nfs/dbraw/zinc/63/98/46/169639846.db2.gz WNPUIQVGPIGVRE-UHFFFAOYSA-N 0 0 267.115 3.641 50 0 CHAARN CC(C)COc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000000442756 169641881 /nfs/dbraw/zinc/64/18/81/169641881.db2.gz ALNWUFMUYYMJOK-UHFFFAOYSA-N 0 0 275.392 3.738 50 0 CHAARN COc1ccc2c(c1)CC/C(=C/c1ccccc1)C2=O ZINC000000444016 169642315 /nfs/dbraw/zinc/64/23/15/169642315.db2.gz RTLPXDPVWAKOEQ-PTNGSMBKSA-N 0 0 264.324 3.908 50 0 CHAARN COc1ccc(CSCC(=O)Nc2ccccc2)cc1 ZINC000000446331 169643017 /nfs/dbraw/zinc/64/30/17/169643017.db2.gz ZVCLUXWTSCXFNP-UHFFFAOYSA-N 0 0 287.384 3.567 50 0 CHAARN CC(=O)Oc1ccccc1C(=O)Nc1c(C)cc(C)cc1C ZINC000000441702 169641667 /nfs/dbraw/zinc/64/16/67/169641667.db2.gz SECPXZWVZBOZSJ-UHFFFAOYSA-N 0 0 297.354 3.789 50 0 CHAARN C[C@@H](O)c1nc2ccccc2n1C/C=C/c1ccccc1 ZINC000000462591 169647311 /nfs/dbraw/zinc/64/73/11/169647311.db2.gz OHNGNSRKAPGHGA-DNGMOHDESA-N 0 0 278.355 3.803 50 0 biogenic CHAARN COc1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1C ZINC000000464788 169647631 /nfs/dbraw/zinc/64/76/31/169647631.db2.gz QDOXMXUXSNQLME-AWEZNQCLSA-N 0 0 299.370 3.718 50 0 CHAARN OCc1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000000474389 169650489 /nfs/dbraw/zinc/65/04/89/169650489.db2.gz FPRUVDBNMSACTL-UHFFFAOYSA-N 0 0 266.699 3.550 50 0 CHAARN CC(C)=CC(=O)NCc1c(Cl)cccc1-n1cccc1 ZINC000004054845 184530578 /nfs/dbraw/zinc/53/05/78/184530578.db2.gz UXULGYVZMAYQSP-UHFFFAOYSA-N 0 0 288.778 3.713 50 0 CHAARN C[C@H]1CC(=O)N(Cc2ccccc2F)c2ccccc2N1 ZINC000021793478 184536256 /nfs/dbraw/zinc/53/62/56/184536256.db2.gz RGZOEFMKCJWDFY-LBPRGKRZSA-N 0 0 284.334 3.563 50 0 CHAARN Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000514095 169659871 /nfs/dbraw/zinc/65/98/71/169659871.db2.gz LWDUZSDFIFYWJI-UHFFFAOYSA-N 0 0 293.725 3.805 50 0 CHAARN CC1=C[C@H](C)C2(COC(c3ccco3)OC2)[C@H](C)C1 ZINC000000517870 169660455 /nfs/dbraw/zinc/66/04/55/169660455.db2.gz HDOZYLVTCNXYDZ-LOCSVTFISA-N 0 0 262.349 3.934 50 0 biogenic CHAARN CCC(=O)c1ccc(OCCn2cnc3ccccc32)cc1 ZINC000000527747 169662360 /nfs/dbraw/zinc/66/23/60/169662360.db2.gz FVWQYWLYTSEKTI-UHFFFAOYSA-N 0 0 294.354 3.708 50 0 CHAARN CC/C=C(/C)C(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000521394804 256854149 /nfs/dbraw/zinc/85/41/49/256854149.db2.gz UUGHYBSNOGOVKU-IJZIWBRISA-N 0 0 299.414 3.723 50 0 CHAARN CCCCn1c2ccc(Cl)cc2c2nnc(=S)[nH]c21 ZINC000096319323 256889384 /nfs/dbraw/zinc/88/93/84/256889384.db2.gz QURSBIPFMZVZDA-UHFFFAOYSA-N 0 0 292.795 3.722 50 0 CHAARN CC(C)c1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000009067019 260034925 /nfs/dbraw/zinc/03/49/25/260034925.db2.gz FGLKPZDUTMRGND-UHFFFAOYSA-N 0 0 296.783 3.959 50 0 CHAARN O=c1ccc2ccc(OCc3cccc(F)c3)cc2o1 ZINC000000858537 169681372 /nfs/dbraw/zinc/68/13/72/169681372.db2.gz RDVBGAJFYJUKPD-UHFFFAOYSA-N 0 0 270.259 3.511 50 0 biogenic CHAARN CCOc1cccc(C(=O)Nc2cccc3cccnc32)c1 ZINC000000556540 169667459 /nfs/dbraw/zinc/66/74/59/169667459.db2.gz QLROKNUWSYFLHE-UHFFFAOYSA-N 0 0 292.338 3.886 50 0 CHAARN Cc1cc(C)c(C)c(Cn2c3ccccc3nc2CO)c1C ZINC000000572584 169670979 /nfs/dbraw/zinc/67/09/79/169670979.db2.gz JQUHUIGQLONIOZ-UHFFFAOYSA-N 0 0 294.398 3.811 50 0 CHAARN COc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1 ZINC000000573349 169671532 /nfs/dbraw/zinc/67/15/32/169671532.db2.gz QDKZNLNLCWQQDT-RIYZIHGNSA-N 0 0 285.730 3.841 50 0 CHAARN Cc1ccc(C(=O)n2c3ccccc3oc2=S)cc1 ZINC000001029583 169686658 /nfs/dbraw/zinc/68/66/58/169686658.db2.gz UNUWXVBDZOTEEL-UHFFFAOYSA-N 0 0 269.325 3.961 50 0 CHAARN CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)s2)c1 ZINC000001055551 169688018 /nfs/dbraw/zinc/68/80/18/169688018.db2.gz HXFLYPQLGFPADY-UHFFFAOYSA-N 0 0 294.763 3.612 50 0 CHAARN Cc1cc(C)n(-c2ccnc3cc(Cl)ccc32)n1 ZINC000001387696 169698481 /nfs/dbraw/zinc/69/84/81/169698481.db2.gz NOWCXGQSJPMTNV-UHFFFAOYSA-N 0 0 257.724 3.691 50 0 CHAARN CC(=O)Nc1cc(-c2nc(-c3cccs3)no2)ccc1C ZINC000095394378 184964689 /nfs/dbraw/zinc/96/46/89/184964689.db2.gz MSDCYPKPFRYXIV-UHFFFAOYSA-N 0 0 299.355 3.732 50 0 CHAARN COCc1ccc(C(=O)N2CCC3(CCCCC3)CC2)o1 ZINC000095397022 184965785 /nfs/dbraw/zinc/96/57/85/184965785.db2.gz MZSSEGZLZBXXCR-UHFFFAOYSA-N 0 0 291.391 3.613 50 0 CHAARN CCOC(=O)C[C@H](c1cccc(Cl)c1)n1cccc1 ZINC000001393787 169700315 /nfs/dbraw/zinc/70/03/15/169700315.db2.gz AVZVGPCQQVUHFR-CQSZACIVSA-N 0 0 277.751 3.684 50 0 CHAARN Clc1ccc(NCn2nnc3ccccc32)c(Cl)c1 ZINC000001419187 169703882 /nfs/dbraw/zinc/70/38/82/169703882.db2.gz ZBTKBHHPZHIDGK-UHFFFAOYSA-N 0 0 293.157 3.808 50 0 CHAARN O=C(CCCc1c[nH]c2ccccc12)N1CCCCC1 ZINC000001506620 169710143 /nfs/dbraw/zinc/71/01/43/169710143.db2.gz GGKNFRYBTWITFN-UHFFFAOYSA-N 0 0 270.376 3.503 50 0 CHAARN COc1ccc2cc([C@H](C)NC(=O)N3CCCC3)ccc2c1 ZINC000426615377 533337935 /nfs/dbraw/zinc/33/79/35/533337935.db2.gz FZIWCWUOJCNORV-ZDUSSCGKSA-N 0 0 298.386 3.715 50 0 CHAARN COc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000000562774 533419808 /nfs/dbraw/zinc/41/98/08/533419808.db2.gz SCICITJXDOPKGE-UHFFFAOYSA-N 0 0 295.260 3.966 50 0 CHAARN COc1cc(Br)cc(Cl)c1OC(C)C ZINC000097743316 533488433 /nfs/dbraw/zinc/48/84/33/533488433.db2.gz PYRHMPMVXYAHEO-UHFFFAOYSA-N 0 0 279.561 3.898 50 0 CHAARN c1cc2ncnc(N3CC[C@@H]4CCCC[C@@H]4C3)c2s1 ZINC000028619964 134752690 /nfs/dbraw/zinc/75/26/90/134752690.db2.gz WGDCDQFDPIRWKE-NWDGAFQWSA-N 0 0 273.405 3.708 50 0 CHAARN CC[C@@H]1CCCCN1c1ccc(Br)cn1 ZINC000042376832 134887887 /nfs/dbraw/zinc/88/78/87/134887887.db2.gz ZKNGVUDBVZPNSA-LLVKDONJSA-N 0 0 269.186 3.613 50 0 CHAARN CC1(C)C=CN(c2cccc(C(F)(F)F)c2)C(=S)N1 ZINC000056710484 134927716 /nfs/dbraw/zinc/92/77/16/134927716.db2.gz YYIUOUBMCUOXSR-UHFFFAOYSA-N 0 0 286.322 3.692 50 0 CHAARN Cc1ccc(C)c(OCCCC(=O)N2CCCCCC2)c1 ZINC000001779887 169757008 /nfs/dbraw/zinc/75/70/08/169757008.db2.gz INXBOBMSBRFUJN-UHFFFAOYSA-N 0 0 289.419 3.865 50 0 CHAARN CNc1nc(-c2c(C)[nH]c3ccccc32)c(C)s1 ZINC000002327668 169785676 /nfs/dbraw/zinc/78/56/76/169785676.db2.gz PCRSFILXHMZKQJ-UHFFFAOYSA-N 0 0 257.362 3.950 50 0 CHAARN Cc1ccc2[nH]cc(CCNC(=O)c3cccc(F)c3)c2c1 ZINC000002342226 169786712 /nfs/dbraw/zinc/78/67/12/169786712.db2.gz RHBZBKJKSZDERK-UHFFFAOYSA-N 0 0 296.345 3.588 50 0 biogenic CHAARN Cc1n[nH]c(C)c1CCCOc1cccc(Cl)c1 ZINC000002486275 169794565 /nfs/dbraw/zinc/79/45/65/169794565.db2.gz WELQJKFAGCUENP-UHFFFAOYSA-N 0 0 264.756 3.692 50 0 CHAARN O=C(NCCCCc1ccccc1)c1ccccc1F ZINC000002493715 169795131 /nfs/dbraw/zinc/79/51/31/169795131.db2.gz ZCCNYJHDEDMNMJ-UHFFFAOYSA-N 0 0 271.335 3.578 50 0 CHAARN CC(C)(C)c1ccc(OCCCn2ccnc2)cc1 ZINC000002494287 169795562 /nfs/dbraw/zinc/79/55/62/169795562.db2.gz KBPRAAWPBQZBRZ-UHFFFAOYSA-N 0 0 258.365 3.650 50 0 CHAARN COc1ccc(CCC(=O)c2ccccc2C)cc1 ZINC000002516542 169799291 /nfs/dbraw/zinc/79/92/91/169799291.db2.gz YKSLSFJQKMKOES-UHFFFAOYSA-N 0 0 254.329 3.819 50 0 CHAARN CC[C@H]1CCc2c(sc(N)c2C(=O)NC2CCCC2)C1 ZINC000002558486 169808546 /nfs/dbraw/zinc/80/85/46/169808546.db2.gz JKEQKQODXKUAIM-JTQLQIEISA-N 0 0 292.448 3.518 50 0 CHAARN c1nc2ccccc2n1CCCCOc1ccccc1 ZINC000002695401 169820652 /nfs/dbraw/zinc/82/06/52/169820652.db2.gz HQRCBROAQIVXFO-UHFFFAOYSA-N 0 0 266.344 3.896 50 0 CHAARN CC(C)N(C(=O)c1ccc(Br)s1)C(C)C ZINC000002772285 169828459 /nfs/dbraw/zinc/82/84/59/169828459.db2.gz SSXSISKMQTYAHF-UHFFFAOYSA-N 0 0 290.226 3.770 50 0 CHAARN CCc1ccccc1NC(=S)Nc1cccc(C)n1 ZINC000002780908 169829989 /nfs/dbraw/zinc/82/99/89/169829989.db2.gz ZMLPMPKNMNEKKL-UHFFFAOYSA-N 0 0 271.389 3.761 50 0 CHAARN CC(C)CN(CC(C)C)C(=O)Nc1ccccc1F ZINC000002889959 169842155 /nfs/dbraw/zinc/84/21/55/169842155.db2.gz CVEMZNWFQHFLMM-UHFFFAOYSA-N 0 0 266.360 3.972 50 0 CHAARN COc1cccc(OCCCOc2ccc(F)cc2)c1 ZINC000002904354 169843743 /nfs/dbraw/zinc/84/37/43/169843743.db2.gz YIEUFBBALVYUAX-UHFFFAOYSA-N 0 0 276.307 3.682 50 0 CHAARN Fc1ccccc1-c1nnc2c3ccccc3nc(Cl)n12 ZINC000003063655 169851657 /nfs/dbraw/zinc/85/16/57/169851657.db2.gz TXQHUOULTHKPPQ-UHFFFAOYSA-N 0 0 298.708 3.737 50 0 CHAARN CCC(C)(C)NC(=S)Nc1cc(C)ccc1C ZINC000003306982 169877459 /nfs/dbraw/zinc/87/74/59/169877459.db2.gz MTOILEBKVFNEHA-UHFFFAOYSA-N 0 0 250.411 3.778 50 0 CHAARN Fc1ccc(NC(=S)NCCCc2ccccc2)cc1 ZINC000003331465 169879877 /nfs/dbraw/zinc/87/98/77/169879877.db2.gz NHDPFRFAMCWDDN-UHFFFAOYSA-N 0 0 288.391 3.745 50 0 CHAARN COc1ccc(NC(=O)/C(C)=C\c2ccccc2)cc1 ZINC000003346416 169881416 /nfs/dbraw/zinc/88/14/16/169881416.db2.gz WWZALPXGKOLJDV-SEYXRHQNSA-N 0 0 267.328 3.737 50 0 CHAARN Cc1cccc(NCC(=O)Nc2cccc(C)c2C)c1C ZINC000003376886 169883581 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CC(=O)c1ccc(NCCC(=O)c2cccs2)cc1 ZINC000000446211 567830658 /nfs/dbraw/zinc/83/06/58/567830658.db2.gz WQRSVHWCXZVLGX-UHFFFAOYSA-N 0 0 273.357 3.636 50 0 CHAARN O=C(/C=C/c1ccco1)Nc1ccc(Br)cc1 ZINC000000460254 567831342 /nfs/dbraw/zinc/83/13/42/567831342.db2.gz NLUWNPYJZRNBLK-BQYQJAHWSA-N 0 0 292.132 3.694 50 0 CHAARN Cc1ccc(C(=O)Nc2cccc(C)n2)c(Cl)c1 ZINC000000458080 567831345 /nfs/dbraw/zinc/83/13/45/567831345.db2.gz WZPRFJDGLJEIML-UHFFFAOYSA-N 0 0 260.724 3.604 50 0 CHAARN Cc1cccc(NC(=O)[C@@H](C)Oc2ccccc2F)c1 ZINC000000460765 567831412 /nfs/dbraw/zinc/83/14/12/567831412.db2.gz OLEHWHDFLKTINS-GFCCVEGCSA-N 0 0 273.307 3.540 50 0 CHAARN COc1cc(OC)cc(-c2nc3cc(C)ccc3o2)c1 ZINC000000461877 567831660 /nfs/dbraw/zinc/83/16/60/567831660.db2.gz JRSSJVNHBFIMSU-UHFFFAOYSA-N 0 0 269.300 3.820 50 0 CHAARN CCN(C(=O)COc1ccc(C)c(C)c1)c1ccccc1 ZINC000000463521 567831678 /nfs/dbraw/zinc/83/16/78/567831678.db2.gz CALAFTQZZRPEIW-UHFFFAOYSA-N 0 0 283.371 3.735 50 0 CHAARN CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(OC)cc1 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567832734 /nfs/dbraw/zinc/83/27/34/567832734.db2.gz MGTCPLQKWNVLLG-UHFFFAOYSA-N 0 0 284.369 3.581 50 0 CHAARN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1 ZINC000000482808 567832748 /nfs/dbraw/zinc/83/27/48/567832748.db2.gz RBGWUGQIUNIKSU-UHFFFAOYSA-N 0 0 269.344 3.954 50 0 CHAARN CCOC(=O)c1c2cc(O)ccc2[nH]c1-c1ccccc1 ZINC000000522722 567833197 /nfs/dbraw/zinc/83/31/97/567833197.db2.gz LJJGRVZPZCEJHG-UHFFFAOYSA-N 0 0 281.311 3.717 50 0 CHAARN CC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccco3)cc21 ZINC000000535568 567833273 /nfs/dbraw/zinc/83/32/73/567833273.db2.gz FYSSQXHLZRZKGN-UHFFFAOYSA-N 0 0 297.310 3.502 50 0 CHAARN COc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O ZINC000000520945 567833404 /nfs/dbraw/zinc/83/34/04/567833404.db2.gz XRGWZIGGCNSFRY-UHFFFAOYSA-N 0 0 266.296 3.777 50 0 endogenous,in-man CHAARN CSc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000000571604 567834094 /nfs/dbraw/zinc/83/40/94/567834094.db2.gz JIDBLABNWCATRU-UHFFFAOYSA-N 0 0 293.413 3.518 50 0 CHAARN Cc1cccnc1Nc1nc(-c2ccc(O)cc2)cs1 ZINC000000613665 567834216 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CCCCCC(=O)Nc1nc2ccc(F)cc2s1 ZINC000002852747 567849858 /nfs/dbraw/zinc/84/98/58/567849858.db2.gz MMYFXHVNZSCJNI-UHFFFAOYSA-N 0 0 266.341 3.954 50 0 CHAARN Cc1ccccc1SCCNC(=O)CCc1ccccc1 ZINC000002863044 567849936 /nfs/dbraw/zinc/84/99/36/567849936.db2.gz GEEKCRXLZSSGSD-UHFFFAOYSA-N 0 0 299.439 3.836 50 0 CHAARN CCc1cc(C)cc(OCCOc2ccc(C=O)cc2)c1 ZINC000002866694 567849988 /nfs/dbraw/zinc/84/99/88/567849988.db2.gz LFPGXQLHFNBUMZ-UHFFFAOYSA-N 0 0 284.355 3.828 50 0 CHAARN COc1ccccc1OCCCCCc1c(C)n[nH]c1C ZINC000002880305 567850168 /nfs/dbraw/zinc/85/01/68/567850168.db2.gz RLBDOCZNVOPWMH-UHFFFAOYSA-N 0 0 288.391 3.827 50 0 CHAARN COc1cccc(OCCCOc2cccc(C)c2)c1 ZINC000002904590 567850490 /nfs/dbraw/zinc/85/04/90/567850490.db2.gz BNVBMZXPANNNGO-UHFFFAOYSA-N 0 0 272.344 3.852 50 0 CHAARN CCCOC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl ZINC000002960342 567850503 /nfs/dbraw/zinc/85/05/03/567850503.db2.gz GHMQUAUOXDPEIX-UHFFFAOYSA-N 0 0 292.718 3.979 50 0 CHAARN COc1cccc(OCCCOc2ccccc2F)c1 ZINC000002904345 567850516 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