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)CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000000001037 166775827 /nfs/dbraw/zinc/77/58/27/166775827.db2.gz MPYYVGIJHREDBO-JMSVASOKSA-N 0 0 238.371 3.791 40 0 biogenic,in-vitro BHABRN Cc1cccc(C)c1Nc1nc2ccccc2[nH]1 ZINC000000003416 179045355 /nfs/dbraw/zinc/04/53/55/179045355.db2.gz HZDQKPPIIVQERW-UHFFFAOYSA-N 0 0 237.306 3.923 40 0 BHABRN C[C@H](Nc1ccc(Cl)cc1)c1ccncc1 ZINC000000006038 187244235 /nfs/dbraw/zinc/24/42/35/187244235.db2.gz GNIUMVWWCXFKNZ-JTQLQIEISA-N 0 0 232.714 3.908 40 0 BHABRN Cc1nc(-c2ccccc2)c(-c2ccncc2)o1 ZINC000000020049 491083758 /nfs/dbraw/zinc/08/37/58/491083758.db2.gz BHWCZLOXTLWZAQ-UHFFFAOYSA-N 0 0 236.274 3.712 40 0 in-vitro BHABRN c1coc(CSc2ncnc3ccccc32)c1 ZINC000000024750 491083773 /nfs/dbraw/zinc/08/37/73/491083773.db2.gz BWNVREWAOKSODJ-UHFFFAOYSA-N 0 0 242.303 3.515 40 0 BHABRN Cn1nc(-c2ccc(Cl)cc2)c2ccccc21 ZINC000000035307 188098858 /nfs/dbraw/zinc/09/88/58/188098858.db2.gz XGWCJWBWXPYVPN-UHFFFAOYSA-N 0 0 242.709 3.894 40 0 BHABRN Cc1cc(O)ccc1Sc1ccc(O)cc1C ZINC000000037284 178201039 /nfs/dbraw/zinc/20/10/39/178201039.db2.gz PJICANHHEXHVTN-UHFFFAOYSA-N 0 0 246.331 3.866 40 0 BHABRN FC(F)Sc1cccc2cccnc21 ZINC000000037898 398145758 /nfs/dbraw/zinc/14/57/58/398145758.db2.gz ZYEMCKAJTGGVDW-UHFFFAOYSA-N 0 0 211.236 3.550 40 0 BHABRN CCC(C)(C)c1ccc(OC2CSC2)cc1 ZINC000000038024 168306123 /nfs/dbraw/zinc/30/61/23/168306123.db2.gz FBDVKBQPQXWPLF-UHFFFAOYSA-N 0 0 236.380 3.868 40 0 BHABRN Cc1cccc2c(=O)cc(-c3ccccc3)oc12 ZINC000000038943 179208523 /nfs/dbraw/zinc/20/85/23/179208523.db2.gz JTTIFEIDOQSMRZ-UHFFFAOYSA-N 0 0 236.270 3.768 40 0 BHABRN c1cn(-c2ccc(-c3ccccc3)cc2)cn1 ZINC000000041747 183379416 /nfs/dbraw/zinc/37/94/16/183379416.db2.gz FFRBVGATVOCVAZ-UHFFFAOYSA-N 0 0 220.275 3.539 40 0 BHABRN Cn1nc(-c2ccccc2Cl)c2ccccc21 ZINC000000048810 398145648 /nfs/dbraw/zinc/14/56/48/398145648.db2.gz MNXQZSGRAULXOZ-UHFFFAOYSA-N 0 0 242.709 3.894 40 0 BHABRN Cc1cc(N)ccc1C(C)c1ccc(N)cc1C ZINC000000056506 178105030 /nfs/dbraw/zinc/10/50/30/178105030.db2.gz YIZBNZOKVQPEDO-UHFFFAOYSA-N 0 0 240.350 3.620 40 0 BHABRN C=Cc1ccc(OC(=O)OC(C)(C)C)cc1 ZINC000000056882 383822305 /nfs/dbraw/zinc/82/23/05/383822305.db2.gz GJWMYLFHBXEWNZ-UHFFFAOYSA-N 0 0 220.268 3.644 40 0 BHABRN Cc1cc(C)cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000000064803 631261264 /nfs/dbraw/zinc/26/12/64/631261264.db2.gz WIUIFGQEVWZRCG-GZBFAFLISA-N 0 0 243.350 3.678 40 0 BHABRN Cc1cccc2c(Cl)cc(=S)[nH]c12 ZINC000000074076 179210499 /nfs/dbraw/zinc/21/04/99/179210499.db2.gz PXPFZXGRBAPJMR-UHFFFAOYSA-N 0 0 209.701 3.859 40 0 BHABRN CCP(=O)(CC)CCc1ccccc1OC ZINC000000081768 170607166 /nfs/dbraw/zinc/60/71/66/170607166.db2.gz FTPJTEPFRHXWJD-UHFFFAOYSA-N 0 0 240.283 3.641 40 0 BHABRN Cc1cc2nc(-c3ccccc3)[nH]c2cc1C ZINC000000097664 178300555 /nfs/dbraw/zinc/30/05/55/178300555.db2.gz NLWYQTFKTGCQNJ-UHFFFAOYSA-N 0 0 222.291 3.847 40 0 BHABRN Cc1ccc([C@H]2Nc3ccccc3C(C)(C)O2)o1 ZINC000000105047 178924428 /nfs/dbraw/zinc/92/44/28/178924428.db2.gz LLRFZTVGGMHDAO-AWEZNQCLSA-N 0 0 243.306 3.964 40 0 BHABRN Cc1ccc([C@@H]2Nc3ccccc3C(C)(C)O2)o1 ZINC000000105049 383826839 /nfs/dbraw/zinc/82/68/39/383826839.db2.gz LLRFZTVGGMHDAO-CQSZACIVSA-N 0 0 243.306 3.964 40 0 BHABRN Clc1ccc(-c2ccon2)c(Cl)c1 ZINC000000111770 369358335 /nfs/dbraw/zinc/35/83/35/369358335.db2.gz SPVRCFRPTDHTOO-UHFFFAOYSA-N 0 0 214.051 3.648 40 0 BHABRN CCO[C@@H](C)n1cccc1-c1ccccc1 ZINC000000116033 384894976 /nfs/dbraw/zinc/89/49/76/384894976.db2.gz CFYXLOVXYJDSPV-LBPRGKRZSA-N 0 0 215.296 3.710 40 0 BHABRN CCO[C@H](C)n1cccc1-c1ccccc1 ZINC000000116036 344472547 /nfs/dbraw/zinc/47/25/47/344472547.db2.gz CFYXLOVXYJDSPV-GFCCVEGCSA-N 0 0 215.296 3.710 40 0 BHABRN CC(=O)Oc1ccc(-c2ccc(C)cc2)cc1 ZINC000000126327 187925120 /nfs/dbraw/zinc/92/51/20/187925120.db2.gz FJRBAGWXSOIUBC-UHFFFAOYSA-N 0 0 226.275 3.587 40 0 BHABRN CC[C@@H](C)NC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000137439 170744497 /nfs/dbraw/zinc/74/44/97/170744497.db2.gz ILHVKGFFZGUPGM-SECBINFHSA-N 0 0 240.734 3.568 40 0 BHABRN CC[C@H](C)NC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000137440 171330741 /nfs/dbraw/zinc/33/07/41/171330741.db2.gz ILHVKGFFZGUPGM-VIFPVBQESA-N 0 0 240.734 3.568 40 0 BHABRN Cc1ccc(NC(=O)NC(C)(C)C)cc1Cl ZINC000000137704 345244855 /nfs/dbraw/zinc/24/48/55/345244855.db2.gz VPQDFSYNBQCGQL-UHFFFAOYSA-N 0 0 240.734 3.568 40 0 BHABRN CCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000151886 367590584 /nfs/dbraw/zinc/59/05/84/367590584.db2.gz SGMVEXZRDKPEJI-UHFFFAOYSA-N 0 0 222.291 3.792 40 0 BHABRN Cc1cc(-c2ccc(Cl)cc2)nc(=S)[nH]1 ZINC000000157497 342678103 /nfs/dbraw/zinc/67/81/03/342678103.db2.gz MJHLPDKJSPJEST-UHFFFAOYSA-N 0 0 236.727 3.768 40 0 BHABRN COc1c(Cl)nc2ccccc2c1Cl ZINC000000157962 174930782 /nfs/dbraw/zinc/93/07/82/174930782.db2.gz RKPHIZLAMUGPME-UHFFFAOYSA-N 0 0 228.078 3.550 40 0 BHABRN O=C1CCCC[C@]1(Cl)C1CCCCC1 ZINC000000166116 342678629 /nfs/dbraw/zinc/67/86/29/342678629.db2.gz IBJCMJRJHLICSN-LBPRGKRZSA-N 0 0 214.736 3.687 40 0 BHABRN Cc1nc2ccc(Cl)c(Cl)c2s1 ZINC000000225584 180090420 /nfs/dbraw/zinc/09/04/20/180090420.db2.gz LFZCWTRPRTXXOS-UHFFFAOYSA-N 0 0 218.108 3.912 40 0 BHABRN CC1=C[C@@H](C)[C@@H]2CO[C@@H](c3ccccc3O)[C@H]1C2 ZINC000000238593 168125073 /nfs/dbraw/zinc/12/50/73/168125073.db2.gz DWGYRUDDSQAWEA-TYRIBLQHSA-N 0 0 244.334 3.682 40 0 BHABRN Cc1c(-c2ccccc2)cn2c1-c1cccn1CC2 ZINC000000247819 345422521 /nfs/dbraw/zinc/42/25/21/345422521.db2.gz UFRVUDBWEHXDSB-UHFFFAOYSA-N 0 0 248.329 3.946 40 0 BHABRN O=C(Nc1ccccc1-c1ccccc1)C1CC1 ZINC000000250388 182378178 /nfs/dbraw/zinc/37/81/78/182378178.db2.gz ZMRGAMTWUDOURO-UHFFFAOYSA-N 0 0 237.302 3.702 40 0 BHABRN CC1(C)[C@@H]2CC[C@@]1(C)c1nc3ccccc3nc12 ZINC000000256477 168003956 /nfs/dbraw/zinc/00/39/56/168003956.db2.gz NGUAUQBJYSZURH-HWPZZCPQSA-N 0 0 238.334 3.805 40 0 BHABRN Cc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000000257579 363050107 /nfs/dbraw/zinc/05/01/07/363050107.db2.gz WKXNOMOWNRXJBS-UHFFFAOYSA-N 0 0 223.275 3.727 40 0 BHABRN Cc1ccccc1-c1cc(=O)c2ccccc2o1 ZINC000000265991 179235322 /nfs/dbraw/zinc/23/53/22/179235322.db2.gz XCXVIRAAVALBFW-UHFFFAOYSA-N 0 0 236.270 3.768 40 0 BHABRN O=c1cc(-c2cccc(F)c2)oc2ccccc12 ZINC000000266028 342681645 /nfs/dbraw/zinc/68/16/45/342681645.db2.gz DEMNUISBUXJRNU-UHFFFAOYSA-N 0 0 240.233 3.599 40 0 BHABRN Cc1cc(C)nc(S/C=C/c2ccccc2)n1 ZINC000000269091 345825156 /nfs/dbraw/zinc/82/51/56/345825156.db2.gz VZVOHARTUCCAMH-CMDGGOBGSA-N 0 0 242.347 3.856 40 0 BHABRN S=C(Nc1ccccc1)N1CCCCCCC1 ZINC000000282185 183310889 /nfs/dbraw/zinc/31/08/89/183310889.db2.gz BNIWQVPBXFBCPI-UHFFFAOYSA-N 0 0 248.395 3.650 40 0 BHABRN CC[C@H]1CCCCN1C(=S)Nc1ccccc1 ZINC000000282198 345422541 /nfs/dbraw/zinc/42/25/41/345422541.db2.gz PCLZONYUTCLXJD-ZDUSSCGKSA-N 0 0 248.395 3.648 40 0 BHABRN CC[C@@H]1CCCCN1C(=S)Nc1ccccc1 ZINC000000282201 170962749 /nfs/dbraw/zinc/96/27/49/170962749.db2.gz PCLZONYUTCLXJD-CYBMUJFWSA-N 0 0 248.395 3.648 40 0 BHABRN CC(C)c1ccc(C(=S)N2CCCCC2)cc1 ZINC000000306124 342682845 /nfs/dbraw/zinc/68/28/45/342682845.db2.gz NMKKGLRRDNONAK-UHFFFAOYSA-N 0 0 247.407 3.971 40 0 BHABRN Oc1ccc(SCc2cccs2)cc1 ZINC000000312619 342683058 /nfs/dbraw/zinc/68/30/58/342683058.db2.gz NTEBHWUXUXIKSF-UHFFFAOYSA-N 0 0 222.334 3.746 40 0 BHABRN Cc1ccc(C)c(NC(=O)OCC(C)C)c1 ZINC000000315093 398342055 /nfs/dbraw/zinc/34/20/55/398342055.db2.gz QIRXCRLMLCECGK-UHFFFAOYSA-N 0 0 221.300 3.508 40 0 BHABRN CC(C)(C)c1cn2ccc3ccccc3c2n1 ZINC000000316696 188272249 /nfs/dbraw/zinc/27/22/49/188272249.db2.gz UEWLBJWXPIPNOR-UHFFFAOYSA-N 0 0 224.307 3.785 40 0 BHABRN Cc1ccccc1NC(=S)c1ccccc1 ZINC000000319627 179303711 /nfs/dbraw/zinc/30/37/11/179303711.db2.gz OFKDEVSZZSYYPD-UHFFFAOYSA-N 0 0 227.332 3.783 40 0 BHABRN Clc1ccc(NCCc2ccccc2)cc1 ZINC000000329765 346412286 /nfs/dbraw/zinc/41/22/86/346412286.db2.gz MMTUHJFWJBHNNR-UHFFFAOYSA-N 0 0 231.726 3.995 40 0 BHABRN Brc1cccc(Nc2ccccc2)n1 ZINC000000331298 166101078 /nfs/dbraw/zinc/10/10/78/166101078.db2.gz PSAFWPMLJQSCQJ-UHFFFAOYSA-N 0 0 249.111 3.588 40 0 BHABRN Clc1cc2scnc2c(Cl)c1 ZINC000000336304 342683867 /nfs/dbraw/zinc/68/38/67/342683867.db2.gz DSZCEAIANVNPJY-UHFFFAOYSA-N 0 0 204.081 3.603 40 0 BHABRN C/C=C/C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000340312 345429852 /nfs/dbraw/zinc/42/98/52/345429852.db2.gz GBZOHOMJCAZHCR-NSCUHMNNSA-N 0 0 230.094 3.508 40 0 BHABRN CC1[C@@H]2Oc3ccccc3[C@H]1Oc1ccccc12 ZINC000000341697 168191318 /nfs/dbraw/zinc/19/13/18/168191318.db2.gz LOQYRSWVFIUHMT-HOTGVXAUSA-N 0 0 238.286 3.890 40 0 BHABRN CC(C)c1ccc2c(c1)c1c(n2C)C(=O)CCC1 ZINC000000359556 342684923 /nfs/dbraw/zinc/68/49/23/342684923.db2.gz YJZRKKGCFNXVAJ-UHFFFAOYSA-N 0 0 241.334 3.821 40 0 BHABRN O=C1c2ccccc2CN1c1ccc(Cl)cc1 ZINC000000373230 383858374 /nfs/dbraw/zinc/85/83/74/383858374.db2.gz ATKYZOJYPKMFHI-UHFFFAOYSA-N 0 0 243.693 3.500 40 0 BHABRN CCOP(OCC)OCc1ccccc1 ZINC000000388349 383861404 /nfs/dbraw/zinc/86/14/04/383861404.db2.gz ATRSPWZERUQFPN-UHFFFAOYSA-N 0 0 228.228 3.503 40 0 BHABRN Cc1ccc2c(c1)C(=O)C[C@@H](c1ccccc1)O2 ZINC000000389966 342685917 /nfs/dbraw/zinc/68/59/17/342685917.db2.gz BTQWFEVKJXMNQE-INIZCTEOSA-N 0 0 238.286 3.702 40 0 BHABRN Cc1ccc2c(c1)C(=O)C[C@H](c1ccccc1)O2 ZINC000000389967 342685886 /nfs/dbraw/zinc/68/58/86/342685886.db2.gz BTQWFEVKJXMNQE-MRXNPFEDSA-N 0 0 238.286 3.702 40 0 BHABRN O=C1c2ccccc2-c2c1cccc2Cl ZINC000000393158 383861508 /nfs/dbraw/zinc/86/15/08/383861508.db2.gz WMJKFIGTUHMFAA-UHFFFAOYSA-N 0 0 214.651 3.551 40 0 BHABRN CC[C@@H](OC(C)=O)[C@@H](CC)c1ccccc1 ZINC000000393435 346415870 /nfs/dbraw/zinc/41/58/70/346415870.db2.gz IMKKQUXCAGPDBC-UONOGXRCSA-N 0 0 220.312 3.522 40 0 BHABRN CC[C@H](OC(C)=O)[C@@H](CC)c1ccccc1 ZINC000000393437 346415897 /nfs/dbraw/zinc/41/58/97/346415897.db2.gz IMKKQUXCAGPDBC-KBPBESRZSA-N 0 0 220.312 3.522 40 0 BHABRN Cc1ccc(-c2nnc(-c3cccc(C)c3)o2)o1 ZINC000000412030 345435706 /nfs/dbraw/zinc/43/57/06/345435706.db2.gz IJRCGMKJJQHCQV-UHFFFAOYSA-N 0 0 240.262 3.613 40 0 BHABRN Cc1ccc(-c2nnc(-c3ccc(C)cc3)o2)o1 ZINC000000412031 178339828 /nfs/dbraw/zinc/33/98/28/178339828.db2.gz BZVUKLOFVJQVEG-UHFFFAOYSA-N 0 0 240.262 3.613 40 0 BHABRN CCSc1nc(C)nc2sc(C)c(C)c21 ZINC000000414756 342687261 /nfs/dbraw/zinc/68/72/61/342687261.db2.gz SKFTUNMXSJBAQA-UHFFFAOYSA-N 0 0 238.381 3.729 40 0 BHABRN Cc1cccc(C)c1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000000482700 179042087 /nfs/dbraw/zinc/04/20/87/179042087.db2.gz OJTVFBSNIFPZDB-BFHYXJOUSA-N 0 0 243.350 3.678 40 0 BHABRN O=C(Oc1ccccc1Cl)c1ccccc1 ZINC000000486598 182609838 /nfs/dbraw/zinc/60/98/38/182609838.db2.gz CVTWIWQGBUQAIQ-UHFFFAOYSA-N 0 0 232.666 3.559 40 0 BHABRN O=C(CCC1CCCC1)Nc1ccccc1 ZINC000000503949 342689105 /nfs/dbraw/zinc/68/91/05/342689105.db2.gz KXNTWUPJPUNDAN-UHFFFAOYSA-N 0 0 217.312 3.596 40 0 BHABRN CCC(=O)Oc1ccc(-c2ccccc2)cc1 ZINC000000511837 168251531 /nfs/dbraw/zinc/25/15/31/168251531.db2.gz UEKKNMHEJIWKDR-UHFFFAOYSA-N 0 0 226.275 3.669 40 0 BHABRN Cc1ccc(Cl)cc1NC(=O)CC(C)C ZINC000000514072 187360563 /nfs/dbraw/zinc/36/05/63/187360563.db2.gz OZNAJTQSDYUQBH-UHFFFAOYSA-N 0 0 225.719 3.633 40 0 BHABRN COc1ccccc1CNc1ccc(C)cc1 ZINC000000516897 175331285 /nfs/dbraw/zinc/33/12/85/175331285.db2.gz ALCJXBWXOPARTG-UHFFFAOYSA-N 0 0 227.307 3.616 40 0 BHABRN CC(C)=CCC(C)(C)[C@@H]1OCC[C@H](C)O1 ZINC000000517135 385382221 /nfs/dbraw/zinc/38/22/21/385382221.db2.gz QLBAUSZFMAQPMI-NWDGAFQWSA-N 0 0 212.333 3.520 40 0 BHABRN CC(C)=CCC(C)(C)[C@@H]1OCC[C@@H](C)O1 ZINC000000517136 191109109 /nfs/dbraw/zinc/10/91/09/191109109.db2.gz QLBAUSZFMAQPMI-VXGBXAGGSA-N 0 0 212.333 3.520 40 0 BHABRN CC(C)=CCC(C)(C)[C@H]1OCC[C@@H](C)O1 ZINC000000517138 191109131 /nfs/dbraw/zinc/10/91/31/191109131.db2.gz QLBAUSZFMAQPMI-NEPJUHHUSA-N 0 0 212.333 3.520 40 0 BHABRN CC1=CCC[C@@]2(C)[C@H](OC=O)[C@H](C)CC[C@@]12C ZINC000000517293 168102112 /nfs/dbraw/zinc/10/21/12/168102112.db2.gz DAWDTDPJINNEJM-RZFFKMDDSA-N 0 0 236.355 3.711 40 0 BHABRN CC(C)=CCC[C@@H](C)C[C@@H]1OCC[C@H](C)O1 ZINC000000519243 383875207 /nfs/dbraw/zinc/87/52/07/383875207.db2.gz IKWKPGJFLCMUKW-HZSPNIEDSA-N 0 0 226.360 3.911 40 0 BHABRN CC1=C[C@@H](C)[C@H]2CO[C@H](c3cccnc3)[C@@H]1[C@@H]2C ZINC000000519297 168125035 /nfs/dbraw/zinc/12/50/35/168125035.db2.gz DYAZCFMRGIURJU-MTOAGJAQSA-N 0 0 243.350 3.617 40 0 BHABRN C[C@H]1C[C@]2(C)Oc3ccccc3[C@@H]3OC[C@H]1C[C@@H]32 ZINC000000519398 177387878 /nfs/dbraw/zinc/38/78/78/177387878.db2.gz VNZLCOOICNIDQE-AYCVOAMHSA-N 0 0 244.334 3.571 40 0 BHABRN CC1=C[C@@H](C)[C@H]2CO[C@H](c3ccco3)[C@@H]1[C@H]2C ZINC000000519505 168125075 /nfs/dbraw/zinc/12/50/75/168125075.db2.gz KGXZCJHFZYYKMQ-MYDLQGKQSA-N 0 0 232.323 3.815 40 0 BHABRN CC1(C)[C@H]2CC[C@]1(C)[C@@H](Oc1ccc(O)cc1)C2 ZINC000000526276 168010513 /nfs/dbraw/zinc/01/05/13/168010513.db2.gz NFLFBCDLNLYLLV-HZUKXOBISA-N 0 0 246.350 3.986 40 0 BHABRN CC1(C)[C@H]2CC[C@]1(C)[C@H](Oc1ccc(O)cc1)C2 ZINC000000526277 168010646 /nfs/dbraw/zinc/01/06/46/168010646.db2.gz NFLFBCDLNLYLLV-SGIREYDYSA-N 0 0 246.350 3.986 40 0 BHABRN 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CSSMKLCZFPBRGE-UHFFFAOYSA-N 0 0 226.323 3.865 40 0 BHABRN c1c(-c2ccc3c(c2)CCN3)cn2ccccc12 ZINC000014001357 385455963 /nfs/dbraw/zinc/45/59/63/385455963.db2.gz GOCZUWFCIPZSDQ-UHFFFAOYSA-N 0 0 234.302 3.574 40 0 BHABRN Clc1ccc(CSC2=NCCS2)cc1 ZINC000014066861 180581109 /nfs/dbraw/zinc/58/11/09/180581109.db2.gz SUGRZHPBHYNSBS-UHFFFAOYSA-N 0 0 243.784 3.676 40 0 BHABRN Fc1ccc(CN2CCCc3ccccc32)cc1 ZINC000014217182 136274823 /nfs/dbraw/zinc/27/48/23/136274823.db2.gz VWQRZUWSGFPAND-UHFFFAOYSA-N 0 0 241.309 3.779 40 0 BHABRN COc1cccc2[nH]c3ccc(C)cc3c21 ZINC000014489326 175297357 /nfs/dbraw/zinc/29/73/57/175297357.db2.gz BDXQUUJCBXWOJO-UHFFFAOYSA-N 0 0 211.264 3.638 40 0 BHABRN C/C=C(/C)C(=O)O[C@H](CC)CCCCC ZINC000014590681 574413532 /nfs/dbraw/zinc/41/35/32/574413532.db2.gz LMBAQNNBRWRROG-HUMZTAOYSA-N 0 0 212.333 3.855 40 0 endogenous,in-man BHABRN C/C=C(/C)C(=O)O[C@@H](CC)CCCCC ZINC000014590682 574413546 /nfs/dbraw/zinc/41/35/46/574413546.db2.gz LMBAQNNBRWRROG-DSDFTUOUSA-N 0 0 212.333 3.855 40 0 endogenous,in-man BHABRN CCOc1ccc(OCC)c2ccccc12 ZINC000014612238 170555974 /nfs/dbraw/zinc/55/59/74/170555974.db2.gz LJSLYKNKVQMIJY-UHFFFAOYSA-N 0 0 216.280 3.637 40 0 BHABRN CC/C=C\CC/C=C\C(OCC)OCC ZINC000014614316 384396489 /nfs/dbraw/zinc/39/64/89/384396489.db2.gz GCIRJCKOUVCUBZ-MQEUWQHPSA-N 0 0 212.333 3.688 40 0 endogenous,in-man BHABRN CCC/C=C\C=C/CCc1cc(O)cc(O)c1 ZINC000014614339 188343579 /nfs/dbraw/zinc/34/35/79/188343579.db2.gz OKTHKZQEUMDKTD-RZSVFLSASA-N 0 0 232.323 3.943 40 0 biogenic,in-vitro BHABRN O=C(/C=C\c1ccccc1)OC1CCCCC1 ZINC000014652228 384401791 /nfs/dbraw/zinc/40/17/91/384401791.db2.gz GCFAUZGWPDYAJN-QXMHVHEDSA-N 0 0 230.307 3.576 40 0 endogenous,in-man BHABRN Brc1ncccc1-c1ccccc1 ZINC000014982294 188302588 /nfs/dbraw/zinc/30/25/88/188302588.db2.gz BCKWPWFSMVGPRC-UHFFFAOYSA-N 0 0 234.096 3.511 40 0 BHABRN Brc1ccncc1-c1ccccc1 ZINC000014982302 166103364 /nfs/dbraw/zinc/10/33/64/166103364.db2.gz PJQXGXWAGCCGKK-UHFFFAOYSA-N 0 0 234.096 3.511 40 0 BHABRN Clc1cc2[nH]ccc2c(Br)c1 ZINC000014983150 342890198 /nfs/dbraw/zinc/89/01/98/342890198.db2.gz FWMOVLKMGUEKOT-UHFFFAOYSA-N 0 0 230.492 3.584 40 0 BHABRN O=Cc1c(Cl)c(Cl)nc(Cl)c1Cl ZINC000014983571 182858477 /nfs/dbraw/zinc/85/84/77/182858477.db2.gz QSXFGJSLCCZMET-UHFFFAOYSA-N 0 0 244.892 3.508 40 0 BHABRN Cc1ccccc1C(=O)Nc1cc(F)ccc1F ZINC000015005405 179251993 /nfs/dbraw/zinc/25/19/93/179251993.db2.gz IVOHXUVLEHTZES-UHFFFAOYSA-N 0 0 247.244 3.526 40 0 BHABRN COc1ccc(C(=O)C2CCCCC2)cc1F ZINC000015014319 175053142 /nfs/dbraw/zinc/05/31/42/175053142.db2.gz OYZNNCWZPLQCFV-UHFFFAOYSA-N 0 0 236.286 3.597 40 0 BHABRN CC(=O)c1ccc2c(c1)-c1ccc(C(C)=O)cc1-2 ZINC000015020915 384415760 /nfs/dbraw/zinc/41/57/60/384415760.db2.gz XUAXSOPQGBALPI-UHFFFAOYSA-N 0 0 236.270 3.739 40 0 BHABRN c1cc2c(cccc2CNc2ccccc2)[nH]1 ZINC000015423560 384432538 /nfs/dbraw/zinc/43/25/38/384432538.db2.gz IEMSDQWDMAMCFF-UHFFFAOYSA-N 0 0 222.291 3.780 40 0 BHABRN Fc1ccc(NCc2cccc3[nH]ccc32)cc1 ZINC000015423586 342896131 /nfs/dbraw/zinc/89/61/31/342896131.db2.gz HBGVCZYOFKBTES-UHFFFAOYSA-N 0 0 240.281 3.919 40 0 BHABRN O=Cc1cccc2c1ccn2Cc1ccccc1 ZINC000015424067 187416823 /nfs/dbraw/zinc/41/68/23/187416823.db2.gz FFOSGPUYOBZKIH-UHFFFAOYSA-N 0 0 235.286 3.502 40 0 BHABRN c1cc2cc(CNc3ccccc3)ccc2[nH]1 ZINC000015424233 384432555 /nfs/dbraw/zinc/43/25/55/384432555.db2.gz MIYVZIKKOPIYEL-UHFFFAOYSA-N 0 0 222.291 3.780 40 0 BHABRN Fc1ccc(NCc2ccc3[nH]ccc3c2)cc1 ZINC000015424258 347113259 /nfs/dbraw/zinc/11/32/59/347113259.db2.gz DSDLTACWFORFBS-UHFFFAOYSA-N 0 0 240.281 3.919 40 0 BHABRN Cc1ccc(Cn2ccc3c2cccc3C=O)cc1 ZINC000015424287 342895998 /nfs/dbraw/zinc/89/59/98/342895998.db2.gz UBWSBXNPYGOKJC-UHFFFAOYSA-N 0 0 249.313 3.811 40 0 BHABRN Cc1cccc(Cn2ccc3c2cccc3C=O)c1 ZINC000015424289 179110152 /nfs/dbraw/zinc/11/01/52/179110152.db2.gz FWLDUHTWFPJDMB-UHFFFAOYSA-N 0 0 249.313 3.811 40 0 BHABRN Cc1cccc(Cn2ccc3cc(C=O)ccc32)c1 ZINC000015424298 179109602 /nfs/dbraw/zinc/10/96/02/179109602.db2.gz 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3.613 40 0 BHABRN CC(C)(C)c1ccc([C@H]2CCC[C@@H]2O)cc1 ZINC000015440791 342896430 /nfs/dbraw/zinc/89/64/30/342896430.db2.gz ARWGJIJDQOIOPU-KGLIPLIRSA-N 0 0 218.340 3.613 40 0 BHABRN CC(C)(C)c1ccc([C@@H]2CCC[C@H]2O)cc1 ZINC000015440793 344203453 /nfs/dbraw/zinc/20/34/53/344203453.db2.gz ARWGJIJDQOIOPU-UONOGXRCSA-N 0 0 218.340 3.613 40 0 BHABRN CC(C)(C)c1ccc([C@H]2CCC[C@H]2O)cc1 ZINC000015440795 200652237 /nfs/dbraw/zinc/65/22/37/200652237.db2.gz ARWGJIJDQOIOPU-ZIAGYGMSSA-N 0 0 218.340 3.613 40 0 BHABRN CCSc1ccc([C@@H]2CCCC[C@@H]2O)cc1 ZINC000015440978 347113366 /nfs/dbraw/zinc/11/33/66/347113366.db2.gz CZRGEHYUFSAQCL-KBPBESRZSA-N 0 0 236.380 3.817 40 0 BHABRN CCSc1ccc([C@H]2CCCC[C@@H]2O)cc1 ZINC000015440979 347113628 /nfs/dbraw/zinc/11/36/28/347113628.db2.gz CZRGEHYUFSAQCL-KGLIPLIRSA-N 0 0 236.380 3.817 40 0 BHABRN CCSc1ccc([C@@H]2CCCC[C@H]2O)cc1 ZINC000015440981 344203418 /nfs/dbraw/zinc/20/34/18/344203418.db2.gz CZRGEHYUFSAQCL-UONOGXRCSA-N 0 0 236.380 3.817 40 0 BHABRN 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/nfs/dbraw/zinc/23/43/56/175234356.db2.gz UTWJYUQVXOJBGZ-UHFFFAOYSA-N 0 0 202.228 3.501 40 0 BHABRN CSc1ccc(C(=O)Cc2ccccc2)cc1 ZINC000015441659 352979437 /nfs/dbraw/zinc/97/94/37/352979437.db2.gz XTSWQXIWFZTMJR-UHFFFAOYSA-N 0 0 242.343 3.834 40 0 BHABRN O=C(Cc1ccccc1)c1ccc(F)c(Cl)c1 ZINC000015441665 182044516 /nfs/dbraw/zinc/04/45/16/182044516.db2.gz LPKAPEDVQZNEOP-UHFFFAOYSA-N 0 0 248.684 3.905 40 0 BHABRN O=C(Cc1ccccc1)c1cc(F)cc(Cl)c1 ZINC000015441668 182044577 /nfs/dbraw/zinc/04/45/77/182044577.db2.gz JYPKPMJHTOUUBX-UHFFFAOYSA-N 0 0 248.684 3.905 40 0 BHABRN O=C(Cc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000015441671 182044587 /nfs/dbraw/zinc/04/45/87/182044587.db2.gz JETGOFXNIJXWJC-UHFFFAOYSA-N 0 0 248.684 3.905 40 0 BHABRN CC(C)(C)c1ccc(C(=O)c2nccs2)cc1 ZINC000015441693 188105788 /nfs/dbraw/zinc/10/57/88/188105788.db2.gz XYZUHENVSWZFRZ-UHFFFAOYSA-N 0 0 245.347 3.672 40 0 BHABRN O=C(c1c(Cl)cccc1Cl)C(F)(F)F ZINC000015442250 182645359 /nfs/dbraw/zinc/64/53/59/182645359.db2.gz 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ZINC000016450985 259307319 /nfs/dbraw/zinc/30/73/19/259307319.db2.gz YBWDUITZTBDOIB-BENRWUELSA-N 0 0 247.297 3.644 40 0 BHABRN Nc1ccc(SCc2ccccc2)cc1 ZINC000016480865 342911329 /nfs/dbraw/zinc/91/13/29/342911329.db2.gz ARKMPBRPOSHHJR-UHFFFAOYSA-N 0 0 215.321 3.561 40 0 BHABRN O=C(Nc1ccccc1)n1ccc2ccccc21 ZINC000016489764 182378470 /nfs/dbraw/zinc/37/84/70/182378470.db2.gz XBJQZKLWXQEBKA-UHFFFAOYSA-N 0 0 236.274 3.722 40 0 BHABRN Oc1cccc2cc(-c3ccccc3)cnc12 ZINC000016492849 183299046 /nfs/dbraw/zinc/29/90/46/183299046.db2.gz OVANYAHBATYKIA-UHFFFAOYSA-N 0 0 221.259 3.607 40 0 BHABRN c1c2cnc3ccccc3n2nc1-c1ccccc1 ZINC000016492867 183379842 /nfs/dbraw/zinc/37/98/42/183379842.db2.gz LAJUFIUSOLNIEP-UHFFFAOYSA-N 0 0 245.285 3.550 40 0 BHABRN c1ccc2oc(SCc3ccncc3)nc2c1 ZINC000016545283 384460206 /nfs/dbraw/zinc/46/02/06/384460206.db2.gz RRRPGWNKDHLLCH-UHFFFAOYSA-N 0 0 242.303 3.515 40 0 BHABRN O=C(Sc1ccccn1)c1ccc(Cl)cc1 ZINC000016545976 347194276 /nfs/dbraw/zinc/19/42/76/347194276.db2.gz 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Nc1nc(C23CC4C[C@H](C2)CC[C@@H](C4)C3)cs1 ZINC000017145705 342921089 /nfs/dbraw/zinc/92/10/89/342921089.db2.gz XMOFXXWQTOIWRT-QLHKPRNWSA-N 0 0 248.395 3.583 40 0 BHABRN O=C1[C@@H](c2ccccc2)CC[C@H]1c1ccccc1 ZINC000017147894 385519717 /nfs/dbraw/zinc/51/97/17/385519717.db2.gz WAVUXBDBPXFCLJ-IYBDPMFKSA-N 0 0 236.314 3.917 40 0 BHABRN C[C@H]1OC(c2ccc(Cl)cc2Cl)O[C@H]1C ZINC000017149647 187416826 /nfs/dbraw/zinc/41/68/26/187416826.db2.gz DVLVFLFFNDBRJB-NIAPBFKXSA-N 0 0 247.121 3.816 40 0 BHABRN O=[N+]([O-])/C=C\c1cc2c(ccc3ccccc23)[nH]1 ZINC000017175281 342921739 /nfs/dbraw/zinc/92/17/39/342921739.db2.gz WFXDYOURHAEHLJ-FPLPWBNLSA-N 0 0 238.246 3.569 40 0 BHABRN O=[N+]([O-])/C=C\c1c[nH]c2c1ccc1ccccc21 ZINC000017175282 342921711 /nfs/dbraw/zinc/92/17/11/342921711.db2.gz LBWYZSXJXVJXRJ-FPLPWBNLSA-N 0 0 238.246 3.569 40 0 BHABRN O=[N+]([O-])/C=C\c1cc2ccc3ccccc3c2[nH]1 ZINC000017175283 342921830 /nfs/dbraw/zinc/92/18/30/342921830.db2.gz MCLUSZHHINDIQS-FPLPWBNLSA-N 0 0 238.246 3.569 40 0 BHABRN 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LRWCURGZPQWMRG-QMMMGPOBSA-N 0 0 208.688 3.569 40 0 BHABRN C[C@@H](C(=O)c1ccc(Cl)cc1)C1CC1 ZINC000034069510 343264150 /nfs/dbraw/zinc/26/41/50/343264150.db2.gz LRWCURGZPQWMRG-MRVPVSSYSA-N 0 0 208.688 3.569 40 0 BHABRN Clc1ccn2cc(-c3ccccc3)nc2c1 ZINC000034081197 350171368 /nfs/dbraw/zinc/17/13/68/350171368.db2.gz LKQCTPWOJAUIOF-UHFFFAOYSA-N 0 0 228.682 3.655 40 0 BHABRN CC(C)(C)Oc1cccc(Br)c1 ZINC000034087110 343264294 /nfs/dbraw/zinc/26/42/94/343264294.db2.gz VABJVORTOJWJHF-UHFFFAOYSA-N 0 0 229.117 3.626 40 0 BHABRN C/C=C/C=C/C=C/CC/C=C/C(=O)NCC(C)C ZINC000034097913 636371150 /nfs/dbraw/zinc/37/11/50/636371150.db2.gz SBXYHCVXUCYYJT-UMYNZBAMSA-N 0 0 247.382 3.784 40 0 in-vitro BHABRN Fc1cccc(Sc2ccccc2)c1 ZINC000034111798 259335457 /nfs/dbraw/zinc/33/54/57/259335457.db2.gz CLJJPNVLXXDOJZ-UHFFFAOYSA-N 0 0 204.269 3.977 40 0 BHABRN CCN1c2ccc(C=O)cc2[C@H](C)CC1(C)C ZINC000034140335 132312386 /nfs/dbraw/zinc/31/23/86/132312386.db2.gz FUTDNPDMUTWSAW-LLVKDONJSA-N 0 0 231.339 3.611 40 0 BHABRN CCN1c2ccc(C=O)cc2[C@@H](C)CC1(C)C ZINC000034140336 132336460 /nfs/dbraw/zinc/33/64/60/132336460.db2.gz FUTDNPDMUTWSAW-NSHDSACASA-N 0 0 231.339 3.611 40 0 BHABRN c1c2ccccc2n2c1-c1ccccc1NC2 ZINC000034146233 183451620 /nfs/dbraw/zinc/45/16/20/183451620.db2.gz UNEUNSMCEGSZDB-UHFFFAOYSA-N 0 0 220.275 3.691 40 0 BHABRN COc1ccc(OC)c2c1[C@@H]1C=C[C@H]2C1=C(C)C ZINC000034153222 175171264 /nfs/dbraw/zinc/17/12/64/175171264.db2.gz HPQIDDUNGWBTGC-PHIMTYICSA-N 0 0 242.318 3.791 40 0 BHABRN CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034157476 173472450 /nfs/dbraw/zinc/47/24/50/173472450.db2.gz LKNLVUCTBWTNPS-UHFFFAOYSA-N 0 0 243.150 3.766 40 0 BHABRN Cc1cc(-c2cccc(O)c2)ccc1F ZINC000034180546 177685847 /nfs/dbraw/zinc/68/58/47/177685847.db2.gz LGYWMJIEVSVRRJ-UHFFFAOYSA-N 0 0 202.228 3.507 40 0 BHABRN Cc1ccc([C@@H]2CC(=O)c3ccccc3N2)cc1 ZINC000034182310 178870404 /nfs/dbraw/zinc/87/04/04/178870404.db2.gz NNMBEXQFNNSIOJ-HNNXBMFYSA-N 0 0 237.302 3.735 40 0 BHABRN Cc1ccc([C@H]2CC(=O)c3ccccc3N2)cc1 ZINC000034182311 350257672 /nfs/dbraw/zinc/25/76/72/350257672.db2.gz NNMBEXQFNNSIOJ-OAHLLOKOSA-N 0 0 237.302 3.735 40 0 BHABRN CCOc1cc2ccccc2cc1OCC ZINC000034195910 343266114 /nfs/dbraw/zinc/26/61/14/343266114.db2.gz ZTWXEGJBUBRWFB-UHFFFAOYSA-N 0 0 216.280 3.637 40 0 BHABRN COc1ccc(OC)c2c1[C@H]1C=C(C)[C@@H]2CC1 ZINC000034200440 175171367 /nfs/dbraw/zinc/17/13/67/175171367.db2.gz VGTHCTTUKNFHTN-MNOVXSKESA-N 0 0 230.307 3.625 40 0 BHABRN COc1ccc(OC)c2c1[C@@H]1CC[C@H]2C=C1C ZINC000034200442 175170406 /nfs/dbraw/zinc/17/04/06/175170406.db2.gz VGTHCTTUKNFHTN-WDEREUQCSA-N 0 0 230.307 3.625 40 0 BHABRN CN(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000034204767 343266436 /nfs/dbraw/zinc/26/64/36/343266436.db2.gz PRCZDSXLFJMOAT-UHFFFAOYSA-N 0 0 231.726 3.976 40 0 BHABRN Oc1ccc2c(c1)onc2-c1ccc(Cl)cc1 ZINC000034205414 183278966 /nfs/dbraw/zinc/27/89/66/183278966.db2.gz XNRZCAJQNMILBF-UHFFFAOYSA-N 0 0 245.665 3.854 40 0 BHABRN C/C(=C\CO)CC/C=C(\C)CC[C@H]1OC1(C)C ZINC000034218304 343266521 /nfs/dbraw/zinc/26/65/21/343266521.db2.gz IVSNYPKSUNPKHJ-VDAKUHIQSA-N 0 0 238.371 3.609 40 0 BHABRN C/C(=C\CO)CC/C=C(\C)CC[C@@H]1OC1(C)C ZINC000034218305 343266629 /nfs/dbraw/zinc/26/66/29/343266629.db2.gz IVSNYPKSUNPKHJ-SCGYNDOXSA-N 0 0 238.371 3.609 40 0 BHABRN COc1ccc(-c2ccccc2)cc1F ZINC000034227465 175035030 /nfs/dbraw/zinc/03/50/30/175035030.db2.gz VACQQHZZCOZKJC-UHFFFAOYSA-N 0 0 202.228 3.501 40 0 BHABRN CCOc1ccc2cc(OCC)ccc2c1 ZINC000034286348 343267594 /nfs/dbraw/zinc/26/75/94/343267594.db2.gz SFMWCTLRFTWBQO-UHFFFAOYSA-N 0 0 216.280 3.637 40 0 BHABRN FC(F)(F)c1ccc(-c2nccs2)cc1 ZINC000034328818 385279814 /nfs/dbraw/zinc/27/98/14/385279814.db2.gz IPIAUOCTXMJPSK-UHFFFAOYSA-N 0 0 229.226 3.829 40 0 BHABRN C[C@@H](/C=C/c1ccccc1)NC(=O)OC(C)(C)C ZINC000034338792 386073100 /nfs/dbraw/zinc/07/31/00/386073100.db2.gz IQGIDYRGWBCFGY-IIANPFDCSA-N 0 0 247.338 3.613 40 0 BHABRN C[C@H](/C=C/c1ccccc1)NC(=O)OC(C)(C)C ZINC000034338794 386073387 /nfs/dbraw/zinc/07/33/87/386073387.db2.gz IQGIDYRGWBCFGY-HCRIHEDKSA-N 0 0 247.338 3.613 40 0 BHABRN COc1ccc(Br)cc1C(C)C ZINC000034347985 175051166 /nfs/dbraw/zinc/05/11/66/175051166.db2.gz CFNMTRKNNCKHBM-UHFFFAOYSA-N 0 0 229.117 3.581 40 0 BHABRN Clc1cccc2nc(Cl)c(Cl)nc12 ZINC000034364237 386660603 /nfs/dbraw/zinc/66/06/03/386660603.db2.gz FJUXLHCHAWOMEV-UHFFFAOYSA-N 0 0 233.485 3.590 40 0 BHABRN COC(OC)c1ccc(-c2ccc(C)cc2)cc1 ZINC000034365021 343268260 /nfs/dbraw/zinc/26/82/60/343268260.db2.gz ZNBLJWJRAWMETI-UHFFFAOYSA-N 0 0 242.318 3.953 40 0 BHABRN CCOP(=O)(Cc1ccccc1F)OCC ZINC000034395852 385278639 /nfs/dbraw/zinc/27/86/39/385278639.db2.gz VLIMXNFVVHBLMJ-UHFFFAOYSA-N 0 0 246.218 3.592 40 0 BHABRN O=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000034409254 343270374 /nfs/dbraw/zinc/27/03/74/343270374.db2.gz NJUIFPDSJBQMLN-SECBINFHSA-N 0 0 228.213 3.542 40 0 BHABRN O=C1C[C@@H](c2ccccc2F)Nc2ccccc21 ZINC000034409511 350264854 /nfs/dbraw/zinc/26/48/54/350264854.db2.gz DWKLFSRCLCXSRL-AWEZNQCLSA-N 0 0 241.265 3.565 40 0 BHABRN O=C1C[C@H](c2ccccc2F)Nc2ccccc21 ZINC000034409512 182786144 /nfs/dbraw/zinc/78/61/44/182786144.db2.gz DWKLFSRCLCXSRL-CQSZACIVSA-N 0 0 241.265 3.565 40 0 BHABRN O=C1CCCC[C@H]1Cc1ccccc1Cl ZINC000034412933 344079251 /nfs/dbraw/zinc/07/92/51/344079251.db2.gz OYYZUAGSPRPUCK-NSHDSACASA-N 0 0 222.715 3.642 40 0 BHABRN O=C1CCCC[C@@H]1Cc1ccccc1Cl ZINC000034412934 344079680 /nfs/dbraw/zinc/07/96/80/344079680.db2.gz OYYZUAGSPRPUCK-LLVKDONJSA-N 0 0 222.715 3.642 40 0 BHABRN CC(C)(C)c1cc(NN)cc(C(C)(C)C)c1 ZINC000034453237 519005463 /nfs/dbraw/zinc/00/54/63/519005463.db2.gz RQECGUJODVNHSJ-UHFFFAOYSA-N 0 0 220.360 3.567 40 0 BHABRN CCCCCC(C)(C)c1cc(O)ccc1O ZINC000034467630 343271776 /nfs/dbraw/zinc/27/17/76/343271776.db2.gz JWUNLNNCUQLSNK-UHFFFAOYSA-N 0 0 222.328 3.956 40 0 BHABRN CCCOc1ccc(Br)cc1C ZINC000034469895 169316317 /nfs/dbraw/zinc/31/63/17/169316317.db2.gz USXYPUDNQMEFOH-UHFFFAOYSA-N 0 0 229.117 3.546 40 0 BHABRN CC(C)(O)c1ccc(Oc2ccccc2)cc1 ZINC000034482898 188284932 /nfs/dbraw/zinc/28/49/32/188284932.db2.gz DSIVPQAHDLURMI-UHFFFAOYSA-N 0 0 228.291 3.706 40 0 BHABRN CCCCc1ccc(Br)s1 ZINC000034492740 169019024 /nfs/dbraw/zinc/01/90/24/169019024.db2.gz BQPMOWMCGHVEDO-UHFFFAOYSA-N 0 0 219.147 3.853 40 0 BHABRN Nc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000034526009 346894345 /nfs/dbraw/zinc/89/43/45/346894345.db2.gz ATJUNEXOAIZXKR-UHFFFAOYSA-N 0 0 219.671 3.715 40 0 BHABRN COc1ccc([C@@H](C)c2ccccc2)cc1C=O ZINC000034546879 343274745 /nfs/dbraw/zinc/27/47/45/343274745.db2.gz LIEAECFUKLLCJG-LBPRGKRZSA-N 0 0 240.302 3.660 40 0 BHABRN COc1ccc([C@H](C)c2ccccc2)cc1C=O ZINC000034546880 187593486 /nfs/dbraw/zinc/59/34/86/187593486.db2.gz LIEAECFUKLLCJG-GFCCVEGCSA-N 0 0 240.302 3.660 40 0 BHABRN CCc1cccc(Oc2cccc(N)c2)c1 ZINC000034563443 384418726 /nfs/dbraw/zinc/41/87/26/384418726.db2.gz LCCBVZAPXUJIPW-UHFFFAOYSA-N 0 0 213.280 3.624 40 0 BHABRN O=C(CCC(=O)c1ccccc1)c1cccs1 ZINC000034567548 347153893 /nfs/dbraw/zinc/15/38/93/347153893.db2.gz MEGVHXBZPMNPRB-UHFFFAOYSA-N 0 0 244.315 3.594 40 0 BHABRN Nc1ccccc1-c1ccccc1Br ZINC000034573400 343274981 /nfs/dbraw/zinc/27/49/81/343274981.db2.gz RNHROIARQQOJTL-UHFFFAOYSA-N 0 0 248.123 3.698 40 0 BHABRN FC(F)(F)Sc1cccc(Cl)c1 ZINC000034577063 342726123 /nfs/dbraw/zinc/72/61/23/342726123.db2.gz ROPCMDVUJZRSFS-UHFFFAOYSA-N 0 0 212.623 3.952 40 0 BHABRN CC(C)(C)OC(=O)Sc1cccc(C=O)c1 ZINC000034581924 344080719 /nfs/dbraw/zinc/08/07/19/344080719.db2.gz BOHPAJRYESEEGS-UHFFFAOYSA-N 0 0 238.308 3.526 40 0 BHABRN CCOC(=O)[C@@H]1CCC/C1=C\c1ccc(C)cc1 ZINC000034582489 170257467 /nfs/dbraw/zinc/25/74/67/170257467.db2.gz IVORJBXEPTVCGJ-ATGUSINASA-N 0 0 244.334 3.742 40 0 BHABRN CCOC(=O)[C@H]1CCC/C1=C\c1ccc(C)cc1 ZINC000034582492 170278633 /nfs/dbraw/zinc/27/86/33/170278633.db2.gz IVORJBXEPTVCGJ-GOFCXVBSSA-N 0 0 244.334 3.742 40 0 BHABRN CSc1ccc(C(=O)CC(C)C)cc1 ZINC000034583550 188540091 /nfs/dbraw/zinc/54/00/91/188540091.db2.gz MJRXPBGGSNEJIR-UHFFFAOYSA-N 0 0 208.326 3.637 40 0 BHABRN CC(C)(C)Oc1ccccc1Br ZINC000034592570 259335776 /nfs/dbraw/zinc/33/57/76/259335776.db2.gz JBSSNSQYEIJWJT-UHFFFAOYSA-N 0 0 229.117 3.626 40 0 BHABRN O=C1C[C@H](c2ccc(F)cc2)Oc2ccccc21 ZINC000034606910 343275816 /nfs/dbraw/zinc/27/58/16/343275816.db2.gz RFDPVHCUOLBALB-OAHLLOKOSA-N 0 0 242.249 3.532 40 0 in-vivo BHABRN O=C1C[C@@H](c2ccc(F)cc2)Oc2ccccc21 ZINC000034606911 343275848 /nfs/dbraw/zinc/27/58/48/343275848.db2.gz RFDPVHCUOLBALB-HNNXBMFYSA-N 0 0 242.249 3.532 40 0 in-vivo BHABRN O=Cc1cc(-c2ccccc2)c2ccccc2n1 ZINC000034612474 384999166 /nfs/dbraw/zinc/99/91/66/384999166.db2.gz HQIIQJGUJTVNOO-UHFFFAOYSA-N 0 0 233.270 3.714 40 0 BHABRN CC(=O)c1ccc(-c2ccc(Cl)cc2)nc1C ZINC000034614871 166449671 /nfs/dbraw/zinc/44/96/71/166449671.db2.gz OODTXAUEVYFZLU-UHFFFAOYSA-N 0 0 245.709 3.913 40 0 BHABRN CCOC(=O)CCCCCCc1ccsc1 ZINC000034624434 170198988 /nfs/dbraw/zinc/19/89/88/170198988.db2.gz NROUTCPPCHONSP-UHFFFAOYSA-N 0 0 240.368 3.804 40 0 BHABRN COc1ccccc1SCc1ccccc1 ZINC000034633045 175343341 /nfs/dbraw/zinc/34/33/41/175343341.db2.gz TZFDIWVKNFJGDH-UHFFFAOYSA-N 0 0 230.332 3.988 40 0 BHABRN CC1(C)CCc2cc(Br)ccc2O1 ZINC000034751397 167944149 /nfs/dbraw/zinc/94/41/49/167944149.db2.gz HOPZMALEQZMIAZ-UHFFFAOYSA-N 0 0 241.128 3.553 40 0 BHABRN CC(C)(C)c1cc(O)cc(C(C)(C)C)c1C=O ZINC000034751495 711979117 /nfs/dbraw/zinc/97/91/17/711979117.db2.gz FVZKXCAURJYJGJ-UHFFFAOYSA-N 0 0 234.339 3.800 40 0 BHABRN COc1ccc2cc(C(C)=O)ccc2c1Cl ZINC000034758977 175223942 /nfs/dbraw/zinc/22/39/42/175223942.db2.gz HZZKQNQXGHJQRF-UHFFFAOYSA-N 0 0 234.682 3.704 40 0 BHABRN O=C(CC12CC3CC(CC(C3)C1)C2)C(F)(F)F ZINC000034887077 181883651 /nfs/dbraw/zinc/88/36/51/181883651.db2.gz BKHVPUIYWJIXAP-UHFFFAOYSA-N 0 0 246.272 3.724 40 0 BHABRN Nc1ccc(NC2CCCCC2)c(Cl)c1 ZINC000034939543 355872537 /nfs/dbraw/zinc/87/25/37/355872537.db2.gz HCTVOLZKOWWCOM-UHFFFAOYSA-N 0 0 224.735 3.667 40 0 BHABRN Cc1ccc(-c2nc3ccc(N)cc3o2)c(C)c1 ZINC000034940002 178337164 /nfs/dbraw/zinc/33/71/64/178337164.db2.gz 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PITTZRGDXFQDKO-UHFFFAOYSA-N 0 0 224.275 3.597 40 0 BHABRN CC(C)C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000036947538 363185275 /nfs/dbraw/zinc/18/52/75/363185275.db2.gz ULZSNZPZHOBBAC-UHFFFAOYSA-N 0 0 221.687 3.660 40 0 BHABRN CCCC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000036947541 363184522 /nfs/dbraw/zinc/18/45/22/363184522.db2.gz QOIYYDQFWPNMRT-UHFFFAOYSA-N 0 0 221.687 3.804 40 0 BHABRN CCCCCOc1ccc(C(C)=O)cc1F ZINC000037114366 363145689 /nfs/dbraw/zinc/14/56/89/363145689.db2.gz YZOJGVWVNRKADJ-UHFFFAOYSA-N 0 0 224.275 3.597 40 0 BHABRN CC(C)CNc1cccc2c(O)cccc12 ZINC000037132322 167016832 /nfs/dbraw/zinc/01/68/32/167016832.db2.gz GXNMTASMQKTZKW-UHFFFAOYSA-N 0 0 215.296 3.613 40 0 BHABRN c1ccc(N[C@@H]2CCc3ccccc3C2)cc1 ZINC000037186107 383954641 /nfs/dbraw/zinc/95/46/41/383954641.db2.gz LSDXVUJCUPTXIN-MRXNPFEDSA-N 0 0 223.319 3.656 40 0 BHABRN c1ccc(N[C@H]2CCc3ccccc3C2)cc1 ZINC000037186108 383954553 /nfs/dbraw/zinc/95/45/53/383954553.db2.gz LSDXVUJCUPTXIN-INIZCTEOSA-N 0 0 223.319 3.656 40 0 BHABRN CCCCCCOc1ccc(F)cc1C=O ZINC000037234842 168672601 /nfs/dbraw/zinc/67/26/01/168672601.db2.gz OQZLBDBRYXZGLH-UHFFFAOYSA-N 0 0 224.275 3.597 40 0 BHABRN C[C@H]1[C@@H]2C[C@@H](C[C@@H]2[C@@H]2CCC[C@H](O)C2)C1(C)C ZINC000037263052 383964048 /nfs/dbraw/zinc/96/40/48/383964048.db2.gz BWVZAZPLUTUBKD-JLZCTACVSA-N 0 0 236.399 3.856 40 0 BHABRN C[C@@H]1[C@@H]2C[C@@H](C[C@H]2[C@@H]2CCC[C@H](O)C2)C1(C)C ZINC000037263053 383963462 /nfs/dbraw/zinc/96/34/62/383963462.db2.gz BWVZAZPLUTUBKD-UMBPPFEGSA-N 0 0 236.399 3.856 40 0 BHABRN C[C@H]1[C@@H]2C[C@@H](C[C@H]2[C@@H]2CCC[C@H](O)C2)C1(C)C ZINC000037263054 383964258 /nfs/dbraw/zinc/96/42/58/383964258.db2.gz BWVZAZPLUTUBKD-IWTMDLJTSA-N 0 0 236.399 3.856 40 0 BHABRN COc1ccc2ccccc2c1[C@H]1C[C@H]1C(C)=O ZINC000037290055 262745357 /nfs/dbraw/zinc/74/53/57/262745357.db2.gz NHKZDBKUEUORNT-KBPBESRZSA-N 0 0 240.302 3.541 40 0 BHABRN COc1ccc2ccccc2c1[C@H]1C[C@@H]1C(C)=O ZINC000037290056 397996097 /nfs/dbraw/zinc/99/60/97/397996097.db2.gz NHKZDBKUEUORNT-KGLIPLIRSA-N 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ZINC000037424702 383974416 /nfs/dbraw/zinc/97/44/16/383974416.db2.gz VVKBZVAABGXCER-QWRGUYRKSA-N 0 0 229.106 3.686 40 0 BHABRN CC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000037424704 343345404 /nfs/dbraw/zinc/34/54/04/343345404.db2.gz VVKBZVAABGXCER-MNOVXSKESA-N 0 0 229.106 3.686 40 0 BHABRN O[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000037464564 183185551 /nfs/dbraw/zinc/18/55/51/183185551.db2.gz DVTKDLXICXTKCH-CYBMUJFWSA-N 0 0 224.731 3.954 40 0 BHABRN O[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000037464566 183229203 /nfs/dbraw/zinc/22/92/03/183229203.db2.gz DVTKDLXICXTKCH-ZDUSSCGKSA-N 0 0 224.731 3.954 40 0 BHABRN O[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000037464571 183185626 /nfs/dbraw/zinc/18/56/26/183185626.db2.gz ZWZTZEICIOSCQC-GFCCVEGCSA-N 0 0 210.704 3.564 40 0 BHABRN O[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000037464573 183229523 /nfs/dbraw/zinc/22/95/23/183229523.db2.gz ZWZTZEICIOSCQC-LBPRGKRZSA-N 0 0 210.704 3.564 40 0 BHABRN CCC[C@H](O)Cc1ccc(Cl)cc1Cl ZINC000037465411 169520978 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221.687 3.595 40 0 BHABRN Cc1cc(Cl)c2cc(F)cc(C)c2n1 ZINC000037507596 323108002 /nfs/dbraw/zinc/10/80/02/323108002.db2.gz OGYGDOOJUORLDQ-UHFFFAOYSA-N 0 0 209.651 3.644 40 0 BHABRN Cc1cc(Cl)c2c(F)ccc(C)c2n1 ZINC000037507600 178062430 /nfs/dbraw/zinc/06/24/30/178062430.db2.gz LFOTWGPDXDORCZ-UHFFFAOYSA-N 0 0 209.651 3.644 40 0 BHABRN O[C@@H](c1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000037532342 183185861 /nfs/dbraw/zinc/18/58/61/183185861.db2.gz VWGHXCWFUHKVAB-GFCCVEGCSA-N 0 0 244.256 3.929 40 0 BHABRN O[C@H](c1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000037532343 183229300 /nfs/dbraw/zinc/22/93/00/183229300.db2.gz VWGHXCWFUHKVAB-LBPRGKRZSA-N 0 0 244.256 3.929 40 0 BHABRN COC(=O)c1cc(C(C)C)cc(C(C)C)c1 ZINC000037593974 384537269 /nfs/dbraw/zinc/53/72/69/384537269.db2.gz KMVYMCVCCGFYOC-UHFFFAOYSA-N 0 0 220.312 3.720 40 0 BHABRN Oc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000037632465 183264017 /nfs/dbraw/zinc/26/40/17/183264017.db2.gz BQWAJIFVKAXHCO-UHFFFAOYSA-N 0 0 209.248 3.541 40 0 BHABRN Oc1ccc2nc(-c3ccccc3)ccc2c1 ZINC000037638224 183284908 /nfs/dbraw/zinc/28/49/08/183284908.db2.gz ITPZZVLPTWDTNZ-UHFFFAOYSA-N 0 0 221.259 3.607 40 0 BHABRN Cc1ccc(C(=O)c2cnc3ccccc3c2)cc1 ZINC000037761553 363145055 /nfs/dbraw/zinc/14/50/55/363145055.db2.gz KIBYDRIXYKHJSI-UHFFFAOYSA-N 0 0 247.297 3.774 40 0 BHABRN Cc1ccccc1C(=O)c1cnc2ccccc2c1 ZINC000037761575 179253959 /nfs/dbraw/zinc/25/39/59/179253959.db2.gz JRWUBZOTSZCQAI-UHFFFAOYSA-N 0 0 247.297 3.774 40 0 BHABRN Cc1cccc(C(=O)c2cnc3ccccc3c2)c1 ZINC000037761576 179027148 /nfs/dbraw/zinc/02/71/48/179027148.db2.gz WNXIJAUGUUXUPL-UHFFFAOYSA-N 0 0 247.297 3.774 40 0 BHABRN Cc1ccc(CCNc2ccccc2)cc1 ZINC000037927684 343011347 /nfs/dbraw/zinc/01/13/47/343011347.db2.gz WISBVPAFDHAZAM-UHFFFAOYSA-N 0 0 211.308 3.650 40 0 BHABRN CCOC(=N)Cc1ccc(Cl)cc1Cl ZINC000037928019 170180190 /nfs/dbraw/zinc/18/01/90/170180190.db2.gz LAAAYFOYONJSRG-UHFFFAOYSA-N 0 0 232.110 3.550 40 0 BHABRN CCOC(=N)c1cccc(Oc2ccccc2)c1 ZINC000037928113 170180204 /nfs/dbraw/zinc/18/02/04/170180204.db2.gz POZFZFNCMNJAFP-UHFFFAOYSA-N 0 0 241.290 3.841 40 0 BHABRN Cc1ccc2nc(C)c(C)c(Cl)c2c1 ZINC000037947772 178973616 /nfs/dbraw/zinc/97/36/16/178973616.db2.gz IUQCFVPXSUQQSC-UHFFFAOYSA-N 0 0 205.688 3.813 40 0 BHABRN Cc1nc2c(F)cccc2c(Cl)c1C ZINC000037947784 180066375 /nfs/dbraw/zinc/06/63/75/180066375.db2.gz RAISIDMLUYCCFJ-UHFFFAOYSA-N 0 0 209.651 3.644 40 0 BHABRN Cc1nc2c(F)cc(F)cc2c(Cl)c1C ZINC000037947800 259327430 /nfs/dbraw/zinc/32/74/30/259327430.db2.gz ODZBBKAXJIQTOR-UHFFFAOYSA-N 0 0 227.641 3.783 40 0 BHABRN COc1ccc2nc(C)c(C)c(Cl)c2c1 ZINC000037947804 175227242 /nfs/dbraw/zinc/22/72/42/175227242.db2.gz SDYBZILLXHHVNH-UHFFFAOYSA-N 0 0 221.687 3.514 40 0 BHABRN Cc1ccc(CC(=O)c2cccc(C)c2)cc1 ZINC000037992342 343364212 /nfs/dbraw/zinc/36/42/12/343364212.db2.gz USPQTMWYGMQUTH-UHFFFAOYSA-N 0 0 224.303 3.729 40 0 BHABRN Cc1cc(F)ccc1-c1cccc(C=O)c1 ZINC000037995503 178080669 /nfs/dbraw/zinc/08/06/69/178080669.db2.gz QPDFTFWHASIALF-UHFFFAOYSA-N 0 0 214.239 3.614 40 0 BHABRN Cc1cc(F)ccc1-c1ccc(C=O)cc1 ZINC000037995504 178080513 /nfs/dbraw/zinc/08/05/13/178080513.db2.gz UVFVSIGHHDUARW-UHFFFAOYSA-N 0 0 214.239 3.614 40 0 BHABRN Cc1ccc(-c2ccc(F)c(C=O)c2)cc1 ZINC000038069569 343783209 /nfs/dbraw/zinc/78/32/09/343783209.db2.gz LUGKSDGOETVDDT-UHFFFAOYSA-N 0 0 214.239 3.614 40 0 BHABRN Cc1ccc(-c2cc(C=O)ccc2F)cc1 ZINC000038069571 343783273 /nfs/dbraw/zinc/78/32/73/343783273.db2.gz PZEXAWBVTXGTSQ-UHFFFAOYSA-N 0 0 214.239 3.614 40 0 BHABRN Cc1ccc(F)cc1-c1ccc(C=O)cc1 ZINC000038069651 343316623 /nfs/dbraw/zinc/31/66/23/343316623.db2.gz VXGJOECBYHEMHH-UHFFFAOYSA-N 0 0 214.239 3.614 40 0 BHABRN Cc1ccc(F)cc1-c1cccc(C=O)c1 ZINC000038069655 343316669 /nfs/dbraw/zinc/31/66/69/343316669.db2.gz PKQVBKSLJUOMLO-UHFFFAOYSA-N 0 0 214.239 3.614 40 0 BHABRN O[C@@H](c1ccccc1Cl)C1CCCCC1 ZINC000038078427 183185409 /nfs/dbraw/zinc/18/54/09/183185409.db2.gz FKKBCVKXQZTWLD-CYBMUJFWSA-N 0 0 224.731 3.954 40 0 BHABRN O[C@H](c1ccccc1Cl)C1CCCCC1 ZINC000038078428 183229618 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DGXHKSQAMQUCQT-UHFFFAOYSA-N 0 0 238.242 3.829 40 0 BHABRN Fc1cccc2[nH]c(-c3ccccc3)cc21 ZINC000038218780 181003408 /nfs/dbraw/zinc/00/34/08/181003408.db2.gz XZIKNDPNBAWXTE-UHFFFAOYSA-N 0 0 211.239 3.974 40 0 BHABRN CC(C)(C)[C@@H]1CCC(=O)[C@H](C(F)(F)F)C1 ZINC000038221485 187772823 /nfs/dbraw/zinc/77/28/23/187772823.db2.gz GESGAVKCQTXSBR-HTQZYQBOSA-N 0 0 222.250 3.580 40 0 BHABRN CC(C)(C)[C@H]1CCC(=O)[C@H](C(F)(F)F)C1 ZINC000038221486 343372985 /nfs/dbraw/zinc/37/29/85/343372985.db2.gz GESGAVKCQTXSBR-JGVFFNPUSA-N 0 0 222.250 3.580 40 0 BHABRN CC(C)(C)[C@@H]1CCC(=O)[C@@H](C(F)(F)F)C1 ZINC000038221487 190993203 /nfs/dbraw/zinc/99/32/03/190993203.db2.gz GESGAVKCQTXSBR-SFYZADRCSA-N 0 0 222.250 3.580 40 0 BHABRN CC(C)(C)[C@H]1CCC(=O)[C@@H](C(F)(F)F)C1 ZINC000038221488 343372917 /nfs/dbraw/zinc/37/29/17/343372917.db2.gz GESGAVKCQTXSBR-YUMQZZPRSA-N 0 0 222.250 3.580 40 0 BHABRN c1ccc2c(c1)Sc1cccnc1S2 ZINC000038236128 384077733 /nfs/dbraw/zinc/07/77/33/384077733.db2.gz 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CCCCc1nc(Cl)c(C)c(C)c1C=O ZINC000038435908 169026822 /nfs/dbraw/zinc/02/68/22/169026822.db2.gz DQOPPLLQNKWYTB-UHFFFAOYSA-N 0 0 225.719 3.507 40 0 BHABRN Clc1nccc(NCC2CCCCCC2)n1 ZINC000038579700 180602747 /nfs/dbraw/zinc/60/27/47/180602747.db2.gz VWHKXPDGVXKYMN-UHFFFAOYSA-N 0 0 239.750 3.512 40 0 BHABRN Clc1ccc(Nc2ccnc(Cl)n2)cc1 ZINC000038579796 348714350 /nfs/dbraw/zinc/71/43/50/348714350.db2.gz RJCWFUDISUOTMZ-UHFFFAOYSA-N 0 0 240.093 3.527 40 0 BHABRN Cc1ccc(-c2ccnc(Cl)n2)cc1Cl ZINC000038580029 178327381 /nfs/dbraw/zinc/32/73/81/178327381.db2.gz LKIHEUJBHJKVGQ-UHFFFAOYSA-N 0 0 239.105 3.759 40 0 BHABRN Cc1cc(-c2ccnc(Cl)n2)ccc1Cl ZINC000038580030 372709348 /nfs/dbraw/zinc/70/93/48/372709348.db2.gz GFHFQSARFPEGEB-UHFFFAOYSA-N 0 0 239.105 3.759 40 0 BHABRN Cc1c(Cl)cccc1-c1ccnc(Cl)n1 ZINC000038580031 372709751 /nfs/dbraw/zinc/70/97/51/372709751.db2.gz RNKZSPFVHKFNAX-UHFFFAOYSA-N 0 0 239.105 3.759 40 0 BHABRN CC(C)Oc1ccccc1-c1ccnc(Cl)n1 ZINC000038580041 167308837 /nfs/dbraw/zinc/30/88/37/167308837.db2.gz OQBVLPOHJLPGBL-UHFFFAOYSA-N 0 0 248.713 3.584 40 0 BHABRN CC(C)Oc1cccc(-c2ccnc(Cl)n2)c1 ZINC000038580042 167303732 /nfs/dbraw/zinc/30/37/32/167303732.db2.gz YCFGHDJEJKDKHU-UHFFFAOYSA-N 0 0 248.713 3.584 40 0 BHABRN CC(C)Oc1ccc(-c2ccnc(Cl)n2)cc1 ZINC000038580045 167287752 /nfs/dbraw/zinc/28/77/52/167287752.db2.gz UMOKYWLLMGHDIW-UHFFFAOYSA-N 0 0 248.713 3.584 40 0 BHABRN CC(C)c1ccc(-c2ccnc(Cl)n2)cc1 ZINC000038580059 372709631 /nfs/dbraw/zinc/70/96/31/372709631.db2.gz DZGKJKWNVYADAQ-UHFFFAOYSA-N 0 0 232.714 3.920 40 0 BHABRN CC(C)c1cccc(-c2ccnc(Cl)n2)c1 ZINC000038580060 372709057 /nfs/dbraw/zinc/70/90/57/372709057.db2.gz RANMCXVXTJGVLS-UHFFFAOYSA-N 0 0 232.714 3.920 40 0 BHABRN Cc1ccc(Cl)c(-c2ccnc(Cl)n2)c1 ZINC000038580069 348714401 /nfs/dbraw/zinc/71/44/01/348714401.db2.gz ULKXBMUKRMTUJD-UHFFFAOYSA-N 0 0 239.105 3.759 40 0 BHABRN Cc1cc(Cl)ccc1-c1ccnc(Cl)n1 ZINC000038580074 178065327 /nfs/dbraw/zinc/06/53/27/178065327.db2.gz MOEHZEQDKNTLAX-UHFFFAOYSA-N 0 0 239.105 3.759 40 0 BHABRN Fc1cc(Cl)ccc1-c1ccnc(Cl)n1 ZINC000038580075 348714385 /nfs/dbraw/zinc/71/43/85/348714385.db2.gz FWYMFBMGRHNHJJ-UHFFFAOYSA-N 0 0 243.068 3.590 40 0 BHABRN Fc1ccc(-c2ccnc(Cl)n2)c(Cl)c1 ZINC000038580077 180956987 /nfs/dbraw/zinc/95/69/87/180956987.db2.gz LQZTVNWHEICJJE-UHFFFAOYSA-N 0 0 243.068 3.590 40 0 BHABRN Cc1ccc(-c2ccnc(Cl)n2)c(Cl)c1 ZINC000038580078 178328322 /nfs/dbraw/zinc/32/83/22/178328322.db2.gz OAKGXLDJVKFHGK-UHFFFAOYSA-N 0 0 239.105 3.759 40 0 BHABRN CC(C)c1ccccc1-c1ccnc(Cl)n1 ZINC000038580081 167638535 /nfs/dbraw/zinc/63/85/35/167638535.db2.gz QQHSTDHAALPKKV-UHFFFAOYSA-N 0 0 232.714 3.920 40 0 BHABRN Cc1ccc(Cl)cc1-c1ccnc(Cl)n1 ZINC000038580085 178661094 /nfs/dbraw/zinc/66/10/94/178661094.db2.gz OLQRSXMQKUAUKM-UHFFFAOYSA-N 0 0 239.105 3.759 40 0 BHABRN Fc1ccc(Cl)c(-c2ccnc(Cl)n2)c1 ZINC000038580091 180972597 /nfs/dbraw/zinc/97/25/97/180972597.db2.gz CBWCBXSWPYFUGL-UHFFFAOYSA-N 0 0 243.068 3.590 40 0 BHABRN Fc1cccc(-c2ccnc(Cl)n2)c1Cl ZINC000038580092 384870490 /nfs/dbraw/zinc/87/04/90/384870490.db2.gz FGNCSEPDJHXSJX-UHFFFAOYSA-N 0 0 243.068 3.590 40 0 BHABRN Fc1cc(-c2ccnc(Cl)n2)ccc1Cl ZINC000038580093 372709719 /nfs/dbraw/zinc/70/97/19/372709719.db2.gz UBQIKRLPQQERBP-UHFFFAOYSA-N 0 0 243.068 3.590 40 0 BHABRN CCOc1ccc(C)cc1-c1ccnc(Cl)n1 ZINC000038580108 372709866 /nfs/dbraw/zinc/70/98/66/372709866.db2.gz UCGJKUKYBOQPMU-UHFFFAOYSA-N 0 0 248.713 3.504 40 0 BHABRN Fc1cccc(Cl)c1-c1ccnc(Cl)n1 ZINC000038580130 348714007 /nfs/dbraw/zinc/71/40/07/348714007.db2.gz MLAZRAONDMADPU-UHFFFAOYSA-N 0 0 243.068 3.590 40 0 BHABRN Fc1ccc(Cl)cc1-c1ccnc(Cl)n1 ZINC000038580131 372708899 /nfs/dbraw/zinc/70/88/99/372708899.db2.gz JJZRKKFXEXOZLA-UHFFFAOYSA-N 0 0 243.068 3.590 40 0 BHABRN Fc1cc(Cl)cc(-c2ccnc(Cl)n2)c1 ZINC000038580132 180949604 /nfs/dbraw/zinc/94/96/04/180949604.db2.gz AUUKFRAVCQBZLQ-UHFFFAOYSA-N 0 0 243.068 3.590 40 0 BHABRN CCOc1ccc(-c2ccnc(Cl)n2)c(C)c1 ZINC000038580145 170532220 /nfs/dbraw/zinc/53/22/20/170532220.db2.gz ZWCXAOWYAHQAHR-UHFFFAOYSA-N 0 0 248.713 3.504 40 0 BHABRN CCOc1ccc(-c2ccnc(Cl)n2)cc1C ZINC000038580153 363111584 /nfs/dbraw/zinc/11/15/84/363111584.db2.gz POQHTDVJBNLXDD-UHFFFAOYSA-N 0 0 248.713 3.504 40 0 BHABRN Clc1nccc(-c2cccc3ccccc32)n1 ZINC000038580158 348714299 /nfs/dbraw/zinc/71/42/99/348714299.db2.gz COFALMXEWRESQY-UHFFFAOYSA-N 0 0 240.693 3.950 40 0 BHABRN Clc1sccc1-c1ccnc(Cl)n1 ZINC000038580171 348714247 /nfs/dbraw/zinc/71/42/47/348714247.db2.gz WIHLSWZKYKOGMC-UHFFFAOYSA-N 0 0 231.107 3.512 40 0 BHABRN Fc1ccc(-c2ccnc(Cl)n2)cc1Cl ZINC000038580194 348714127 /nfs/dbraw/zinc/71/41/27/348714127.db2.gz LNBPJSLHVXAESY-UHFFFAOYSA-N 0 0 243.068 3.590 40 0 BHABRN CC(C)Cc1ccc(-c2ccnc(Cl)n2)cc1 ZINC000038580221 187764259 /nfs/dbraw/zinc/76/42/59/187764259.db2.gz FYFICBSNIUWXRN-UHFFFAOYSA-N 0 0 246.741 3.996 40 0 BHABRN Clc1ccc(-c2ccnc(Cl)n2)s1 ZINC000038580225 343377407 /nfs/dbraw/zinc/37/74/07/343377407.db2.gz JNEJYEIRQHELJN-UHFFFAOYSA-N 0 0 231.107 3.512 40 0 BHABRN Cc1cc(C)c(-c2ccnc(Cl)n2)c(C)c1 ZINC000038580256 388548804 /nfs/dbraw/zinc/54/88/04/388548804.db2.gz QALWKYPNURBOEG-UHFFFAOYSA-N 0 0 232.714 3.722 40 0 BHABRN CCCc1ccc(-c2cc(Cl)ncn2)cc1 ZINC000038580265 342799752 /nfs/dbraw/zinc/79/97/52/342799752.db2.gz NWWRFNLKNGPDJB-UHFFFAOYSA-N 0 0 232.714 3.750 40 0 BHABRN Cc1ccc(-c2cc(Cl)ncn2)cc1Cl ZINC000038580269 178322162 /nfs/dbraw/zinc/32/21/62/178322162.db2.gz RMTKETMOBLLYDI-UHFFFAOYSA-N 0 0 239.105 3.759 40 0 BHABRN Cc1cc(-c2cc(Cl)ncn2)ccc1Cl ZINC000038580270 372709957 /nfs/dbraw/zinc/70/99/57/372709957.db2.gz FGAJYAMMTSFBPV-UHFFFAOYSA-N 0 0 239.105 3.759 40 0 BHABRN Cc1c(Cl)cccc1-c1cc(Cl)ncn1 ZINC000038580271 177599956 /nfs/dbraw/zinc/59/99/56/177599956.db2.gz JNLGAQAWBRPRJZ-UHFFFAOYSA-N 0 0 239.105 3.759 40 0 BHABRN CC(C)Oc1ccccc1-c1cc(Cl)ncn1 ZINC000038580280 167308200 /nfs/dbraw/zinc/30/82/00/167308200.db2.gz OAJUZLLVGUCFHB-UHFFFAOYSA-N 0 0 248.713 3.584 40 0 BHABRN CC(C)Oc1cccc(-c2cc(Cl)ncn2)c1 ZINC000038580281 167304821 /nfs/dbraw/zinc/30/48/21/167304821.db2.gz URWSVKJRCURFMN-UHFFFAOYSA-N 0 0 248.713 3.584 40 0 BHABRN CC(C)Oc1ccc(-c2cc(Cl)ncn2)cc1 ZINC000038580284 167288212 /nfs/dbraw/zinc/28/82/12/167288212.db2.gz IRCMQYBNTRZOHA-UHFFFAOYSA-N 0 0 248.713 3.584 40 0 BHABRN CC(C)c1ccc(-c2cc(Cl)ncn2)cc1 ZINC000038580293 363113189 /nfs/dbraw/zinc/11/31/89/363113189.db2.gz OBIAIOAGBLGLSA-UHFFFAOYSA-N 0 0 232.714 3.920 40 0 BHABRN CC(C)c1cccc(-c2cc(Cl)ncn2)c1 ZINC000038580294 167628872 /nfs/dbraw/zinc/62/88/72/167628872.db2.gz BDELYOWLBJWTFL-UHFFFAOYSA-N 0 0 232.714 3.920 40 0 BHABRN Cc1ccc(Cl)c(-c2cc(Cl)ncn2)c1 ZINC000038580303 188007897 /nfs/dbraw/zinc/00/78/97/188007897.db2.gz BUUVOTFMSNFGNE-UHFFFAOYSA-N 0 0 239.105 3.759 40 0 BHABRN Cc1cc(Cl)ccc1-c1cc(Cl)ncn1 ZINC000038580308 178065649 /nfs/dbraw/zinc/06/56/49/178065649.db2.gz XAIBDMMHNDRTLN-UHFFFAOYSA-N 0 0 239.105 3.759 40 0 BHABRN Fc1cc(Cl)ccc1-c1cc(Cl)ncn1 ZINC000038580309 348714790 /nfs/dbraw/zinc/71/47/90/348714790.db2.gz LEHXWRNRXQWCRS-UHFFFAOYSA-N 0 0 243.068 3.590 40 0 BHABRN Fc1ccc(-c2cc(Cl)ncn2)c(Cl)c1 ZINC000038580311 348714936 /nfs/dbraw/zinc/71/49/36/348714936.db2.gz PVEBRYQGHRPOBT-UHFFFAOYSA-N 0 0 243.068 3.590 40 0 BHABRN Cc1ccc(-c2cc(Cl)ncn2)c(Cl)c1 ZINC000038580312 178322137 /nfs/dbraw/zinc/32/21/37/178322137.db2.gz ASZSGYZRYBOPNL-UHFFFAOYSA-N 0 0 239.105 3.759 40 0 BHABRN CC(C)c1ccccc1-c1cc(Cl)ncn1 ZINC000038580315 167637951 /nfs/dbraw/zinc/63/79/51/167637951.db2.gz GIVYXHUYFKHGFA-UHFFFAOYSA-N 0 0 232.714 3.920 40 0 BHABRN Cc1ccc(Cl)cc1-c1cc(Cl)ncn1 ZINC000038580319 343102222 /nfs/dbraw/zinc/10/22/22/343102222.db2.gz IQAOREDFJQFACA-UHFFFAOYSA-N 0 0 239.105 3.759 40 0 BHABRN Fc1ccc(Cl)c(-c2cc(Cl)ncn2)c1 ZINC000038580325 180972655 /nfs/dbraw/zinc/97/26/55/180972655.db2.gz KEQUWCWAXTXDTH-UHFFFAOYSA-N 0 0 243.068 3.590 40 0 BHABRN Fc1cccc(-c2cc(Cl)ncn2)c1Cl ZINC000038580326 372709030 /nfs/dbraw/zinc/70/90/30/372709030.db2.gz RDOQWSNTQZYRTE-UHFFFAOYSA-N 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ZINC000038580381 363113290 /nfs/dbraw/zinc/11/32/90/363113290.db2.gz PZZVRPGHGZSVBW-UHFFFAOYSA-N 0 0 248.713 3.504 40 0 BHABRN Clc1cc(-c2cccc3ccccc32)ncn1 ZINC000038580387 348714983 /nfs/dbraw/zinc/71/49/83/348714983.db2.gz VVROTKMNYYDPFO-UHFFFAOYSA-N 0 0 240.693 3.950 40 0 BHABRN Clc1sccc1-c1cc(Cl)ncn1 ZINC000038580399 348715007 /nfs/dbraw/zinc/71/50/07/348715007.db2.gz VIRLSQLXMONRJW-UHFFFAOYSA-N 0 0 231.107 3.512 40 0 BHABRN Fc1ccc(-c2cc(Cl)ncn2)cc1Cl ZINC000038580422 348715001 /nfs/dbraw/zinc/71/50/01/348715001.db2.gz FERKKVDTVOHKMG-UHFFFAOYSA-N 0 0 243.068 3.590 40 0 BHABRN CC(C)Cc1ccc(-c2cc(Cl)ncn2)cc1 ZINC000038580450 388552518 /nfs/dbraw/zinc/55/25/18/388552518.db2.gz UFUZMRCIOXWQHG-UHFFFAOYSA-N 0 0 246.741 3.996 40 0 BHABRN Clc1ccc(-c2cc(Cl)ncn2)s1 ZINC000038580454 348714926 /nfs/dbraw/zinc/71/49/26/348714926.db2.gz HLKKOSZOLZZHMC-UHFFFAOYSA-N 0 0 231.107 3.512 40 0 BHABRN Cc1cc(C)c(-c2cc(Cl)ncn2)c(C)c1 ZINC000038580486 177832942 /nfs/dbraw/zinc/83/29/42/177832942.db2.gz 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3.701 40 0 BHABRN CCc1ccc([C@@H](O)c2ccc(C)s2)cc1 ZINC000040242215 384130570 /nfs/dbraw/zinc/13/05/70/384130570.db2.gz RNGQOAHCBINKOP-CQSZACIVSA-N 0 0 232.348 3.701 40 0 BHABRN O[C@@H](c1ccc(F)cc1F)C1CCCCC1 ZINC000040248942 183184929 /nfs/dbraw/zinc/18/49/29/183184929.db2.gz QXYBBHLIZMQCNE-CYBMUJFWSA-N 0 0 226.266 3.579 40 0 BHABRN O[C@H](c1ccc(F)cc1F)C1CCCCC1 ZINC000040248943 183228828 /nfs/dbraw/zinc/22/88/28/183228828.db2.gz QXYBBHLIZMQCNE-ZDUSSCGKSA-N 0 0 226.266 3.579 40 0 BHABRN CCCCc1ccc([C@H](O)c2ccoc2)cc1 ZINC000040254131 169024765 /nfs/dbraw/zinc/02/47/65/169024765.db2.gz SOSCLDJCOQLXBC-HNNXBMFYSA-N 0 0 230.307 3.704 40 0 BHABRN CCCCc1ccc([C@@H](O)c2ccoc2)cc1 ZINC000040254132 169023422 /nfs/dbraw/zinc/02/34/22/169023422.db2.gz SOSCLDJCOQLXBC-OAHLLOKOSA-N 0 0 230.307 3.704 40 0 BHABRN CCCCc1ccc([C@H](O)c2ccco2)cc1 ZINC000040254134 169025021 /nfs/dbraw/zinc/02/50/21/169025021.db2.gz BLVVNGBWEUPGNS-HNNXBMFYSA-N 0 0 230.307 3.704 40 0 BHABRN CCCCc1ccc([C@@H](O)c2ccco2)cc1 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/nfs/dbraw/zinc/83/15/12/346831512.db2.gz XEZMMIDQTUEFCS-UHFFFAOYSA-N 0 0 242.709 3.738 40 0 BHABRN Cc1cc2nc(Br)sc2c(C)c1 ZINC000043220507 177887857 /nfs/dbraw/zinc/88/78/57/177887857.db2.gz HZQLXFQRWVVFCS-UHFFFAOYSA-N 0 0 242.141 3.676 40 0 BHABRN Cc1cccc(NCc2ccc(O)c(Cl)c2)c1 ZINC000043476611 179150531 /nfs/dbraw/zinc/15/05/31/179150531.db2.gz YEHNPSFQTVHISK-UHFFFAOYSA-N 0 0 247.725 3.966 40 0 BHABRN Oc1ccc(CNc2ccccc2)cc1Cl ZINC000043476622 183271838 /nfs/dbraw/zinc/27/18/38/183271838.db2.gz OIASWLUDDBXQBK-UHFFFAOYSA-N 0 0 233.698 3.658 40 0 BHABRN Cc1ccc(NCc2ccc(O)c(Cl)c2)cc1 ZINC000043476957 344518636 /nfs/dbraw/zinc/51/86/36/344518636.db2.gz KDFVEPXURFPDST-UHFFFAOYSA-N 0 0 247.725 3.966 40 0 BHABRN Cc1ccccc1NCc1ccc(O)c(Cl)c1 ZINC000043476972 179306294 /nfs/dbraw/zinc/30/62/94/179306294.db2.gz JDFAKJYHXUFKPG-UHFFFAOYSA-N 0 0 247.725 3.966 40 0 BHABRN CCCCOc1ccc(C(=O)C(F)(F)F)cc1 ZINC000043505028 168916710 /nfs/dbraw/zinc/91/67/10/168916710.db2.gz OGVYTTCYPSSVNB-UHFFFAOYSA-N 0 0 246.228 3.611 40 0 BHABRN Cc1cc(C(=O)C(F)(F)F)cc(C)c1Cl ZINC000043505031 383907139 /nfs/dbraw/zinc/90/71/39/383907139.db2.gz OHJNUNGFJYRXRJ-UHFFFAOYSA-N 0 0 236.620 3.702 40 0 BHABRN CC(C)Cc1ccc(C(=O)C(F)(F)F)cc1 ZINC000043505051 187293398 /nfs/dbraw/zinc/29/33/98/187293398.db2.gz RLICWPXGGGICOA-UHFFFAOYSA-N 0 0 230.229 3.630 40 0 BHABRN CCCCN(CCCC)c1nccnc1Cl ZINC000043537076 343780839 /nfs/dbraw/zinc/78/08/39/343780839.db2.gz ZPARZXQKTPCCDV-UHFFFAOYSA-N 0 0 241.766 3.537 40 0 BHABRN CC(C)CC(=O)c1ccccc1Br ZINC000043560617 343477814 /nfs/dbraw/zinc/47/78/14/343477814.db2.gz GNFDDAUBQCQXCW-UHFFFAOYSA-N 0 0 241.128 3.678 40 0 BHABRN Cc1ccnc(N[C@@H](C)c2ccccc2)c1 ZINC000043561394 384432265 /nfs/dbraw/zinc/43/22/65/384432265.db2.gz XWUGNHOKRMMXKF-LBPRGKRZSA-N 0 0 212.296 3.563 40 0 BHABRN Cc1ccnc(N[C@H](C)c2ccccc2)c1 ZINC000043561395 384431547 /nfs/dbraw/zinc/43/15/47/384431547.db2.gz XWUGNHOKRMMXKF-GFCCVEGCSA-N 0 0 212.296 3.563 40 0 BHABRN Cc1ccnc(N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000043561420 384431772 /nfs/dbraw/zinc/43/17/72/384431772.db2.gz GPWLGEIJLOOIKO-RWMBFGLXSA-N 0 0 218.344 3.627 40 0 BHABRN Cc1ccnc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000043561422 179455999 /nfs/dbraw/zinc/45/59/99/179455999.db2.gz GPWLGEIJLOOIKO-FRRDWIJNSA-N 0 0 218.344 3.627 40 0 BHABRN Cc1ccnc(Nc2ccc(F)c(Cl)c2)c1 ZINC000043561437 384431999 /nfs/dbraw/zinc/43/19/99/384431999.db2.gz HKQNTRIJFIUOOL-UHFFFAOYSA-N 0 0 236.677 3.926 40 0 BHABRN O=C(c1ccco1)c1cc(Cl)cc(Cl)c1 ZINC000043606565 343479098 /nfs/dbraw/zinc/47/90/98/343479098.db2.gz NWKXFWQRXRTYND-UHFFFAOYSA-N 0 0 241.073 3.817 40 0 BHABRN Clc1ccc(Cc2c[nH]c3ccccc23)cn1 ZINC000044029817 180581606 /nfs/dbraw/zinc/58/16/06/180581606.db2.gz DJAIGPMTLIQHKQ-UHFFFAOYSA-N 0 0 242.709 3.807 40 0 BHABRN FC(F)(Cl)[C@](F)(Cl)c1cccs1 ZINC000044076480 388608154 /nfs/dbraw/zinc/60/81/54/388608154.db2.gz JEHZPVKGFZOVPI-YFKPBYRVSA-N 0 0 235.057 3.941 40 0 BHABRN FC(F)(Cl)[C@@](F)(Cl)c1cccs1 ZINC000044076483 388608627 /nfs/dbraw/zinc/60/86/27/388608627.db2.gz JEHZPVKGFZOVPI-RXMQYKEDSA-N 0 0 235.057 3.941 40 0 BHABRN Brc1ccnc(-c2ccccc2)c1 ZINC000044118325 166102394 /nfs/dbraw/zinc/10/23/94/166102394.db2.gz HCQHVQSQHXZRGA-UHFFFAOYSA-N 0 0 234.096 3.511 40 0 BHABRN Cc1ccccc1-c1cc(Cl)nc(C2CC2)n1 ZINC000044119510 179235200 /nfs/dbraw/zinc/23/52/00/179235200.db2.gz AIWMJUZLVCMBSB-UHFFFAOYSA-N 0 0 244.725 3.983 40 0 BHABRN Fc1ccccc1-c1cc(Cl)nc(C2CC2)n1 ZINC000044119520 181009403 /nfs/dbraw/zinc/00/94/03/181009403.db2.gz VWSXLYSMMUQYJB-UHFFFAOYSA-N 0 0 248.688 3.814 40 0 BHABRN Cc1ccc2c(c1)nccc2-c1ccoc1 ZINC000044138522 343493069 /nfs/dbraw/zinc/49/30/69/343493069.db2.gz IUOFXJJMNYWFSQ-UHFFFAOYSA-N 0 0 209.248 3.803 40 0 BHABRN Cc1cc(C(F)(F)F)c2ccccc2n1 ZINC000044138617 385197550 /nfs/dbraw/zinc/19/75/50/385197550.db2.gz FYFOUZVZNDMMTR-UHFFFAOYSA-N 0 0 211.186 3.562 40 0 BHABRN Cc1cc(C)c([S@](=O)c2ccccc2)c(C)c1 ZINC000044139398 177877004 /nfs/dbraw/zinc/87/70/04/177877004.db2.gz NPTGGTKSCLGSSS-KRWDZBQOSA-N 0 0 244.359 3.779 40 0 BHABRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1c1ccccc12 ZINC000044139440 166658689 /nfs/dbraw/zinc/65/86/89/166658689.db2.gz IHCQOSBQHZXJBE-BETUJISGSA-N 0 0 245.322 3.813 40 0 BHABRN Cc1cc(C)c(Br)c2cc[nH]c21 ZINC000044184862 343494730 /nfs/dbraw/zinc/49/47/30/343494730.db2.gz WLPYFCJCFLFZKO-UHFFFAOYSA-N 0 0 224.101 3.547 40 0 BHABRN FC(F)(F)c1ccc(Cl)c2[nH]ccc21 ZINC000044185368 388652544 /nfs/dbraw/zinc/65/25/44/388652544.db2.gz NYDLNXXLHYNGNZ-UHFFFAOYSA-N 0 0 219.593 3.840 40 0 BHABRN CCOC(=O)c1cccc(Oc2ccccc2)c1 ZINC000044200242 170299235 /nfs/dbraw/zinc/29/92/35/170299235.db2.gz LBKYKBFMRILRCT-UHFFFAOYSA-N 0 0 242.274 3.656 40 0 BHABRN CCC(=O)Cc1c(Cl)cccc1Cl ZINC000044266297 168209627 /nfs/dbraw/zinc/20/96/27/168209627.db2.gz REODWXGWPRCRNI-UHFFFAOYSA-N 0 0 217.095 3.515 40 0 BHABRN CCCC(=O)Cc1c(Cl)cccc1Cl ZINC000044266309 343323767 /nfs/dbraw/zinc/32/37/67/343323767.db2.gz ILLLMXSAJWJPKE-UHFFFAOYSA-N 0 0 231.122 3.905 40 0 BHABRN CCC[C@H](O)Cc1c(Cl)cccc1Cl ZINC000044266629 343323816 /nfs/dbraw/zinc/32/38/16/343323816.db2.gz GWBWUVIWGUCBGA-QMMMGPOBSA-N 0 0 233.138 3.697 40 0 BHABRN CCC[C@@H](O)Cc1c(Cl)cccc1Cl ZINC000044266634 383911413 /nfs/dbraw/zinc/91/14/13/383911413.db2.gz GWBWUVIWGUCBGA-MRVPVSSYSA-N 0 0 233.138 3.697 40 0 BHABRN CC(C)(C)c1[nH]nc(N)c1-c1ccccc1Cl ZINC000044269042 384325348 /nfs/dbraw/zinc/32/53/48/384325348.db2.gz CHKRSAGXFHYEJQ-UHFFFAOYSA-N 0 0 249.745 3.610 40 0 BHABRN CC(C)CCOc1ccc(C=O)cc1Cl ZINC000044422259 384332789 /nfs/dbraw/zinc/33/27/89/384332789.db2.gz GUCWBVNBFWASRZ-UHFFFAOYSA-N 0 0 226.703 3.577 40 0 BHABRN CCCCCOc1ccc(C=O)cc1Cl ZINC000044422268 343500371 /nfs/dbraw/zinc/50/03/71/343500371.db2.gz ZRMWFOVUZHUEQH-UHFFFAOYSA-N 0 0 226.703 3.722 40 0 BHABRN Cc1ccccc1[C@@H]1CC(=O)c2ccccc2N1 ZINC000044605034 385828281 /nfs/dbraw/zinc/82/82/81/385828281.db2.gz FVOQZFCLOVCKSK-HNNXBMFYSA-N 0 0 237.302 3.735 40 0 BHABRN Cc1ccccc1[C@H]1CC(=O)c2ccccc2N1 ZINC000044605037 385828168 /nfs/dbraw/zinc/82/81/68/385828168.db2.gz FVOQZFCLOVCKSK-OAHLLOKOSA-N 0 0 237.302 3.735 40 0 BHABRN Cc1nc2cc(-c3ccccc3)ccc2[nH]1 ZINC000044606522 352373477 /nfs/dbraw/zinc/37/34/77/352373477.db2.gz OFUGVTJPQLMELN-UHFFFAOYSA-N 0 0 208.264 3.538 40 0 BHABRN Clc1cc2ncsc2c(Cl)c1 ZINC000044712735 343512740 /nfs/dbraw/zinc/51/27/40/343512740.db2.gz INEOEHMEKFEZHY-UHFFFAOYSA-N 0 0 204.081 3.603 40 0 BHABRN Oc1ccc2cc(C(F)(F)F)ccc2c1 ZINC000044713495 183284747 /nfs/dbraw/zinc/28/47/47/183284747.db2.gz HCJDAAXIBIPERT-UHFFFAOYSA-N 0 0 212.170 3.564 40 0 BHABRN CCC(=O)Nc1ccc2[nH]c3ccccc3c2c1 ZINC000044781738 168246040 /nfs/dbraw/zinc/24/60/40/168246040.db2.gz DRZAFNTTYHUWSK-UHFFFAOYSA-N 0 0 238.290 3.670 40 0 BHABRN O=Cc1ccccc1Nc1ccccc1Cl ZINC000044787388 386019501 /nfs/dbraw/zinc/01/95/01/386019501.db2.gz DAAHPDZFLSFYPJ-UHFFFAOYSA-N 0 0 231.682 3.896 40 0 BHABRN C[C@H](NC(=O)C1CCCCC1)c1ccc(F)cc1 ZINC000044840667 343516364 /nfs/dbraw/zinc/51/63/64/343516364.db2.gz YJMJQHLUFINYFV-NSHDSACASA-N 0 0 249.329 3.583 40 0 BHABRN C[C@@H](NC(=O)C1CCCCC1)c1ccc(F)cc1 ZINC000044840671 384361012 /nfs/dbraw/zinc/36/10/12/384361012.db2.gz YJMJQHLUFINYFV-LLVKDONJSA-N 0 0 249.329 3.583 40 0 BHABRN Cc1ccc([C@@H](C)NC(=O)C2CCCCC2)cc1 ZINC000044900082 178834564 /nfs/dbraw/zinc/83/45/64/178834564.db2.gz HNUBVAHTODUPSA-CYBMUJFWSA-N 0 0 245.366 3.753 40 0 BHABRN Cc1ccc([C@H](C)NC(=O)C2CCCCC2)cc1 ZINC000044900083 188296580 /nfs/dbraw/zinc/29/65/80/188296580.db2.gz HNUBVAHTODUPSA-ZDUSSCGKSA-N 0 0 245.366 3.753 40 0 BHABRN CC=C1[C@H]2CC[C@@H]1c1c2c(OC)ccc1OC ZINC000045028052 168191063 /nfs/dbraw/zinc/19/10/63/168191063.db2.gz YHCHARVPJCVIFO-PHIMTYICSA-N 0 0 230.307 3.625 40 0 BHABRN C[C@H](NC(=O)C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000045235222 322912123 /nfs/dbraw/zinc/91/21/23/322912123.db2.gz LFDLPIPTJYJDOE-NSHDSACASA-N 0 0 245.366 3.571 40 0 BHABRN C[C@@H](NC(=O)C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000045235223 491113315 /nfs/dbraw/zinc/11/33/15/491113315.db2.gz LFDLPIPTJYJDOE-LLVKDONJSA-N 0 0 245.366 3.571 40 0 BHABRN CC(C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000045235284 343526007 /nfs/dbraw/zinc/52/60/07/343526007.db2.gz AQWZTSHALPONEL-LBPRGKRZSA-N 0 0 247.382 3.817 40 0 BHABRN CC(C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000045235286 343526118 /nfs/dbraw/zinc/52/61/18/343526118.db2.gz AQWZTSHALPONEL-GFCCVEGCSA-N 0 0 247.382 3.817 40 0 BHABRN Clc1cc2ncsc2cc1Cl ZINC000045236851 343526770 /nfs/dbraw/zinc/52/67/70/343526770.db2.gz LMOFFYMADRWIHG-UHFFFAOYSA-N 0 0 204.081 3.603 40 0 BHABRN c1nc2cc(-c3ccccc3)ccc2s1 ZINC000045237071 183379566 /nfs/dbraw/zinc/37/95/66/183379566.db2.gz AAKPXIJKSNGOCO-UHFFFAOYSA-N 0 0 211.289 3.963 40 0 BHABRN Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000045238172 178336656 /nfs/dbraw/zinc/33/66/56/178336656.db2.gz FIAQSCFVJTXXJY-UHFFFAOYSA-N 0 0 215.277 3.865 40 0 BHABRN CSc1nc2cccc(Cl)c2s1 ZINC000045238181 343527070 /nfs/dbraw/zinc/52/70/70/343527070.db2.gz XOQZYOLFJNHFFP-UHFFFAOYSA-N 0 0 215.730 3.672 40 0 BHABRN CC(C)(C)C(=O)NCc1ccc2ccccc2c1 ZINC000045402321 343529105 /nfs/dbraw/zinc/52/91/05/343529105.db2.gz LUYOFQPRAIPCMD-UHFFFAOYSA-N 0 0 241.334 3.502 40 0 BHABRN Cc1cc(N)c(N2CCCC[C@@H]2C)c(Cl)c1 ZINC000045886216 132298633 /nfs/dbraw/zinc/29/86/33/132298633.db2.gz OYBABJRCZHMCCG-JTQLQIEISA-N 0 0 238.762 3.609 40 0 BHABRN Cc1cc(N)c(N2CCCC[C@H]2C)c(Cl)c1 ZINC000045886219 132298845 /nfs/dbraw/zinc/29/88/45/132298845.db2.gz OYBABJRCZHMCCG-SNVBAGLBSA-N 0 0 238.762 3.609 40 0 BHABRN Nc1cccc(-c2nc3ccc(F)cc3s2)c1 ZINC000045920001 343011737 /nfs/dbraw/zinc/01/17/37/343011737.db2.gz JGMAQVMMKNQNOQ-UHFFFAOYSA-N 0 0 244.294 3.685 40 0 BHABRN Nc1ccccc1-c1nc2ccc(F)cc2s1 ZINC000045920020 359746893 /nfs/dbraw/zinc/74/68/93/359746893.db2.gz ZTPLSRISRDULJP-UHFFFAOYSA-N 0 0 244.294 3.685 40 0 BHABRN Cc1ccc2nc(-c3cccc(N)c3)sc2c1 ZINC000045923362 187395044 /nfs/dbraw/zinc/39/50/44/187395044.db2.gz YLDPUTOPLCAWPD-UHFFFAOYSA-N 0 0 240.331 3.854 40 0 BHABRN Cc1ccc2nc(-c3ccccc3N)sc2c1 ZINC000045923407 388003963 /nfs/dbraw/zinc/00/39/63/388003963.db2.gz RALYPMVORNPZEA-UHFFFAOYSA-N 0 0 240.331 3.854 40 0 BHABRN Cc1ccc2nc(-c3ccncc3)sc2c1 ZINC000045923500 187395686 /nfs/dbraw/zinc/39/56/86/187395686.db2.gz DLIDLTICFIHVBA-UHFFFAOYSA-N 0 0 226.304 3.667 40 0 BHABRN Cc1ccc2nc(-c3cccnc3)sc2c1 ZINC000045923504 188085550 /nfs/dbraw/zinc/08/55/50/188085550.db2.gz FLAOQLGKIHUGTK-UHFFFAOYSA-N 0 0 226.304 3.667 40 0 BHABRN O=Cc1ccc2nc(-c3ccccc3)sc2c1 ZINC000045923555 388003702 /nfs/dbraw/zinc/00/37/02/388003702.db2.gz BBXZOTQVKHJYTE-UHFFFAOYSA-N 0 0 239.299 3.776 40 0 BHABRN Cc1cccc2sc(-c3cccc(N)c3)nc21 ZINC000045946628 179234450 /nfs/dbraw/zinc/23/44/50/179234450.db2.gz VUZXFWHEIKHOBI-UHFFFAOYSA-N 0 0 240.331 3.854 40 0 BHABRN Cc1cccc2sc(-c3ccc(N)cc3)nc21 ZINC000045946631 179234330 /nfs/dbraw/zinc/23/43/30/179234330.db2.gz SLXLJJZGTDCMJV-UHFFFAOYSA-N 0 0 240.331 3.854 40 0 BHABRN Cc1cccc2sc(-c3cccnc3)nc21 ZINC000045946794 179234319 /nfs/dbraw/zinc/23/43/19/179234319.db2.gz DHUQQHRFLAZNSS-UHFFFAOYSA-N 0 0 226.304 3.667 40 0 BHABRN Cc1cccc2sc(-c3ccncc3)nc21 ZINC000045946800 179233736 /nfs/dbraw/zinc/23/37/36/179233736.db2.gz WATAONYUKYXXGX-UHFFFAOYSA-N 0 0 226.304 3.667 40 0 BHABRN Cc1cc(N)cc(Cl)c1NC1CCCCC1 ZINC000045958877 187395171 /nfs/dbraw/zinc/39/51/71/187395171.db2.gz DJUXMEPFPIIHBS-UHFFFAOYSA-N 0 0 238.762 3.975 40 0 BHABRN Fc1ccc(Nc2nc3ccccc3o2)cc1 ZINC000046701843 363184268 /nfs/dbraw/zinc/18/42/68/363184268.db2.gz YQNHTIKAAJXGNU-UHFFFAOYSA-N 0 0 228.226 3.711 40 0 BHABRN FC(F)c1ccc(OC(F)(F)F)cc1 ZINC000047203470 180910812 /nfs/dbraw/zinc/91/08/12/180910812.db2.gz CFBXRZFGBVTYOO-UHFFFAOYSA-N 0 0 212.117 3.523 40 0 BHABRN COc1cc(F)ccc1-c1ccccc1 ZINC000047207643 174993654 /nfs/dbraw/zinc/99/36/54/174993654.db2.gz SAYQKRYQVUZYKU-UHFFFAOYSA-N 0 0 202.228 3.501 40 0 BHABRN FC(F)(F)Oc1ccccc1-c1ccncc1 ZINC000047216948 384444641 /nfs/dbraw/zinc/44/46/41/384444641.db2.gz SNJGKXRRZRKLAN-UHFFFAOYSA-N 0 0 239.196 3.647 40 0 BHABRN CCOC(=N)Cc1ccc(Cl)c(Cl)c1 ZINC000047218889 170180131 /nfs/dbraw/zinc/18/01/31/170180131.db2.gz GWYHFRLLBHFQLQ-UHFFFAOYSA-N 0 0 232.110 3.550 40 0 BHABRN Clc1nc(-c2cccc(Cl)c2)ns1 ZINC000047218925 343559099 /nfs/dbraw/zinc/55/90/99/343559099.db2.gz LMXPZTFQLJOINZ-UHFFFAOYSA-N 0 0 231.107 3.512 40 0 BHABRN CC(=O)c1cc(Cl)ccc1OCCC(C)C ZINC000047838597 517367739 /nfs/dbraw/zinc/36/77/39/517367739.db2.gz UBWCKOXTIBQECC-UHFFFAOYSA-N 0 0 240.730 3.968 40 0 BHABRN Cc1ccc(Nc2nc3ccccc3o2)cc1 ZINC000048543873 344095748 /nfs/dbraw/zinc/09/57/48/344095748.db2.gz RMIZDYSCYRMYPE-UHFFFAOYSA-N 0 0 224.263 3.880 40 0 BHABRN CCCCN(CCCC)c1cc(Cl)ncn1 ZINC000048631092 343782037 /nfs/dbraw/zinc/78/20/37/343782037.db2.gz IWWJMYYGGWFEKY-UHFFFAOYSA-N 0 0 241.766 3.537 40 0 BHABRN C[C@@H](c1ccc(Cl)cc1)n1cccc1C=O ZINC000049526748 259521323 /nfs/dbraw/zinc/52/13/23/259521323.db2.gz DMTJFLUJBGCOJJ-JTQLQIEISA-N 0 0 233.698 3.563 40 0 BHABRN C[C@H](c1ccc(Cl)cc1)n1cccc1C=O ZINC000049526749 386737582 /nfs/dbraw/zinc/73/75/82/386737582.db2.gz DMTJFLUJBGCOJJ-SNVBAGLBSA-N 0 0 233.698 3.563 40 0 BHABRN Fc1cc(F)c(C(Cl)(Cl)Cl)cc1F ZINC000049588100 180950712 /nfs/dbraw/zinc/95/07/12/180950712.db2.gz QCDGLYXARUKIHR-UHFFFAOYSA-N 0 0 249.446 3.931 40 0 BHABRN CCCCC(C)(Br)Br ZINC000049588450 168630997 /nfs/dbraw/zinc/63/09/97/168630997.db2.gz WSKZKJCPOXIQTN-UHFFFAOYSA-N 0 0 243.970 3.683 40 0 BHABRN Oc1cc(O)cc(/C=C/c2ccc(Cl)cc2)c1 ZINC000049588452 183261516 /nfs/dbraw/zinc/26/15/16/183261516.db2.gz LILDZVMCXPVDFR-OWOJBTEDSA-N 0 0 246.693 3.922 40 0 BHABRN C[C@@H]1c2c(ccc3ccccc23)N(C)[C@@H]1C ZINC000049588582 356491957 /nfs/dbraw/zinc/49/19/57/356491957.db2.gz DSSGJUZVTCMDDN-WDEREUQCSA-N 0 0 211.308 3.782 40 0 BHABRN C[C@@H]1[C@@H](C)c2c(ccc3ccccc23)N1C ZINC000049588584 177436179 /nfs/dbraw/zinc/43/61/79/177436179.db2.gz DSSGJUZVTCMDDN-GHMZBOCLSA-N 0 0 211.308 3.782 40 0 BHABRN CCCCOCc1ccccc1Br ZINC000049601165 188153461 /nfs/dbraw/zinc/15/34/61/188153461.db2.gz SDHNQKGFIDUIMM-UHFFFAOYSA-N 0 0 243.144 3.766 40 0 BHABRN CCCCOCc1ccc(Br)cc1 ZINC000049601166 187270125 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O[C@@H](c1ccc(F)c(Cl)c1)C1CCCC1 ZINC000062791947 183184873 /nfs/dbraw/zinc/18/48/73/183184873.db2.gz DHHKPQYMHFVQGD-GFCCVEGCSA-N 0 0 228.694 3.703 40 0 BHABRN O[C@H](c1ccc(F)c(Cl)c1)C1CCCC1 ZINC000062791948 183228505 /nfs/dbraw/zinc/22/85/05/183228505.db2.gz DHHKPQYMHFVQGD-LBPRGKRZSA-N 0 0 228.694 3.703 40 0 BHABRN Cc1ccc([C@H](O)c2ccc(F)c(C)c2)s1 ZINC000063056480 178916329 /nfs/dbraw/zinc/91/63/29/178916329.db2.gz QCGJNVJIANWOIX-CYBMUJFWSA-N 0 0 236.311 3.586 40 0 BHABRN Cc1ccc([C@@H](O)c2ccc(F)c(C)c2)s1 ZINC000063056481 385204815 /nfs/dbraw/zinc/20/48/15/385204815.db2.gz QCGJNVJIANWOIX-ZDUSSCGKSA-N 0 0 236.311 3.586 40 0 BHABRN FC(F)(F)C(F)(F)C(Cl)(Cl)Cl ZINC000063146262 385212259 /nfs/dbraw/zinc/21/22/59/385212259.db2.gz HJRXHKBZNQULJQ-UHFFFAOYSA-N 0 0 237.382 3.554 40 0 BHABRN FC(F)(F)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(F)(F)F ZINC000063148377 385212856 /nfs/dbraw/zinc/21/28/56/385212856.db2.gz ZGNJHKOQQSEQRR-UMRXKNAASA-N 0 0 230.151 3.549 40 0 BHABRN FC(F)(F)[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(F)(F)F ZINC000063148378 385210311 /nfs/dbraw/zinc/21/03/11/385210311.db2.gz ZGNJHKOQQSEQRR-RNGGSSJXSA-N 0 0 230.151 3.549 40 0 BHABRN Cc1cc(F)c(Cl)c(Br)c1 ZINC000063339582 178073927 /nfs/dbraw/zinc/07/39/27/178073927.db2.gz HWUYWBXBSNBFGY-UHFFFAOYSA-N 0 0 223.472 3.550 40 0 BHABRN Fc1cc(Cl)c(Br)c(F)c1F ZINC000063339595 398039945 /nfs/dbraw/zinc/03/99/45/398039945.db2.gz IDWJHPHIYHBSKA-UHFFFAOYSA-N 0 0 245.425 3.520 40 0 BHABRN CC(C)(F)c1ccccc1Br ZINC000063360994 259522412 /nfs/dbraw/zinc/52/24/12/259522412.db2.gz FIVQOUVLNJBCEJ-UHFFFAOYSA-N 0 0 217.081 3.654 40 0 BHABRN FC(F)(F)Oc1ccc2c(Cl)nccc2c1 ZINC000064034409 385242824 /nfs/dbraw/zinc/24/28/24/385242824.db2.gz ZRUSVBQMXOKSST-UHFFFAOYSA-N 0 0 247.603 3.787 40 0 BHABRN COc1ccc(Nc2cccc(C)c2)cc1 ZINC000064219858 388665417 /nfs/dbraw/zinc/66/54/17/388665417.db2.gz CICOSBZONFODGX-UHFFFAOYSA-N 0 0 213.280 3.747 40 0 BHABRN CC[C@H](C)CCCCCCCC(=O)OC ZINC000064220102 171269550 /nfs/dbraw/zinc/26/95/50/171269550.db2.gz DVWAVFSGXPEYML-LBPRGKRZSA-N 0 0 214.349 3.936 40 0 BHABRN Cc1cccc2c(O)cc(C(F)(F)F)cc12 ZINC000064220153 179212315 /nfs/dbraw/zinc/21/23/15/179212315.db2.gz KHZIRCZHDPCCGV-UHFFFAOYSA-N 0 0 226.197 3.873 40 0 BHABRN CCCc1ccc(F)c(Br)c1 ZINC000064220195 386586858 /nfs/dbraw/zinc/58/68/58/386586858.db2.gz YVZYPUNRSJNOBI-UHFFFAOYSA-N 0 0 217.081 3.541 40 0 BHABRN Cc1ccc2nc(C(F)(F)F)ccc2c1C ZINC000064220272 385250768 /nfs/dbraw/zinc/25/07/68/385250768.db2.gz BXAHDPCJGIHTSC-UHFFFAOYSA-N 0 0 225.213 3.870 40 0 BHABRN COc1cc2c(Cl)cc(C)nc2cc1Cl ZINC000064874616 388671379 /nfs/dbraw/zinc/67/13/79/388671379.db2.gz WBORXSCRVVTIRA-UHFFFAOYSA-N 0 0 242.105 3.859 40 0 BHABRN COc1cc(C)cc2c(Cl)cc(C)nc12 ZINC000064874673 388671162 /nfs/dbraw/zinc/67/11/62/388671162.db2.gz WHWHIEHISBAAJB-UHFFFAOYSA-N 0 0 221.687 3.514 40 0 BHABRN Cc1cccc2c(Nc3cccc(N)c3)ccnc12 ZINC000064875391 388672415 /nfs/dbraw/zinc/67/24/15/388672415.db2.gz CXRBORNAYKYEGP-UHFFFAOYSA-N 0 0 249.317 3.869 40 0 BHABRN Oc1cccc(-c2cc(F)cc(Cl)c2)c1 ZINC000065340034 183285885 /nfs/dbraw/zinc/28/58/85/183285885.db2.gz LZCGRJVDIBOLSF-UHFFFAOYSA-N 0 0 222.646 3.852 40 0 BHABRN Oc1cccc(-c2ccc(F)c(Cl)c2)c1 ZINC000065340037 183285611 /nfs/dbraw/zinc/28/56/11/183285611.db2.gz IWIZDRGLFHKEQV-UHFFFAOYSA-N 0 0 222.646 3.852 40 0 BHABRN CSc1ccccc1-c1ccc(O)c(C=O)c1 ZINC000065341903 385094787 /nfs/dbraw/zinc/09/47/87/385094787.db2.gz KJDVPPLHZANORE-UHFFFAOYSA-N 0 0 244.315 3.594 40 0 BHABRN CSc1cccc(-c2ccc(O)c(C=O)c2)c1 ZINC000065341906 385095048 /nfs/dbraw/zinc/09/50/48/385095048.db2.gz MBTBZNBTHNJNPR-UHFFFAOYSA-N 0 0 244.315 3.594 40 0 BHABRN Cc1ccc(-c2ccc(O)c(C=O)c2)c(Cl)c1 ZINC000065341928 178325938 /nfs/dbraw/zinc/32/59/38/178325938.db2.gz KEDNNZLHIWMGDK-UHFFFAOYSA-N 0 0 246.693 3.834 40 0 BHABRN Cc1c(Cl)cccc1-c1ccc(O)c(C=O)c1 ZINC000065341931 385099428 /nfs/dbraw/zinc/09/94/28/385099428.db2.gz KHNQKRLMNRATPR-UHFFFAOYSA-N 0 0 246.693 3.834 40 0 BHABRN Cc1ccc(-c2ccc(O)c(C=O)c2)cc1Cl ZINC000065341934 178325825 /nfs/dbraw/zinc/32/58/25/178325825.db2.gz MPVWIVSOMZDTKF-UHFFFAOYSA-N 0 0 246.693 3.834 40 0 BHABRN Cc1cc(Cl)ccc1-c1ccc(O)c(C=O)c1 ZINC000065341940 178065484 /nfs/dbraw/zinc/06/54/84/178065484.db2.gz UADAKFFGRJRILQ-UHFFFAOYSA-N 0 0 246.693 3.834 40 0 BHABRN Cc1cc(-c2ccc(O)c(C=O)c2)ccc1Cl ZINC000065341943 385099456 /nfs/dbraw/zinc/09/94/56/385099456.db2.gz VBHVWPXXFHUERD-UHFFFAOYSA-N 0 0 246.693 3.834 40 0 BHABRN CCc1cc(Br)cc(CC)c1F ZINC000065356429 187362493 /nfs/dbraw/zinc/36/24/93/187362493.db2.gz MYKVQCPCJOTNHP-UHFFFAOYSA-N 0 0 231.108 3.713 40 0 BHABRN Fc1cc(F)c(Cl)c(Br)c1F ZINC000065356451 398256205 /nfs/dbraw/zinc/25/62/05/398256205.db2.gz MZLSCHCDTSLIOX-UHFFFAOYSA-N 0 0 245.425 3.520 40 0 BHABRN Cc1cc(F)c(F)c(Br)c1Cl ZINC000065356629 178074602 /nfs/dbraw/zinc/07/46/02/178074602.db2.gz USBJXABOSIMXOC-UHFFFAOYSA-N 0 0 241.462 3.689 40 0 BHABRN CC[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000065734758 383821718 /nfs/dbraw/zinc/82/17/18/383821718.db2.gz 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3.584 40 0 BHABRN Fc1c(Br)cccc1C(F)F ZINC000066309144 490247681 /nfs/dbraw/zinc/24/76/81/490247681.db2.gz MFYNCTJUIOMWME-UHFFFAOYSA-N 0 0 225.007 3.526 40 0 BHABRN Cc1c(Cl)ccc(Br)c1C ZINC000066314793 490247502 /nfs/dbraw/zinc/24/75/02/490247502.db2.gz PEDJITWDIJFXGC-UHFFFAOYSA-N 0 0 219.509 3.719 40 0 BHABRN Cc1ccc(Cl)c(C)c1Br ZINC000066318856 343864735 /nfs/dbraw/zinc/86/47/35/343864735.db2.gz SYJGOCCALRWSID-UHFFFAOYSA-N 0 0 219.509 3.719 40 0 BHABRN Fc1ccc(Cl)c(C(F)(F)F)c1F ZINC000066318877 398090907 /nfs/dbraw/zinc/09/09/07/398090907.db2.gz IETMTNZSWMUANU-UHFFFAOYSA-N 0 0 216.536 3.637 40 0 BHABRN Fc1c(Cl)c(Cl)ccc1Br ZINC000066318967 398090932 /nfs/dbraw/zinc/09/09/32/398090932.db2.gz LDDUTCXBRJGSAR-UHFFFAOYSA-N 0 0 243.890 3.895 40 0 BHABRN CC(C)(F)c1ccc(Br)cc1 ZINC000066325835 383858424 /nfs/dbraw/zinc/85/84/24/383858424.db2.gz RFNMOOMWSYIJLP-UHFFFAOYSA-N 0 0 217.081 3.654 40 0 BHABRN CC(C)(C)c1ccc(N)c(C(C)(C)C)c1O ZINC000066325966 188129227 /nfs/dbraw/zinc/12/92/27/188129227.db2.gz VCARCUTZCGGQOM-UHFFFAOYSA-N 0 0 221.344 3.569 40 0 BHABRN FC(F)(F)c1cccc(-c2cscn2)c1 ZINC000066345357 388399496 /nfs/dbraw/zinc/39/94/96/388399496.db2.gz BGZJFMOUTYZLBP-UHFFFAOYSA-N 0 0 229.226 3.829 40 0 BHABRN FC(F)(F)c1ccc(-c2cscn2)cc1 ZINC000066345360 383857008 /nfs/dbraw/zinc/85/70/08/383857008.db2.gz ZGZFWOKKKQLBAO-UHFFFAOYSA-N 0 0 229.226 3.829 40 0 BHABRN c1ccc2c(c1)CCC21CCc2ccccc21 ZINC000066345640 188129075 /nfs/dbraw/zinc/12/90/75/188129075.db2.gz OPELWUSJOIBVJS-UHFFFAOYSA-N 0 0 220.315 3.865 40 0 BHABRN Fc1cc(Cl)cc(Cl)c1Br ZINC000067794444 180948972 /nfs/dbraw/zinc/94/89/72/180948972.db2.gz WFZZZUSFPGSBOK-UHFFFAOYSA-N 0 0 243.890 3.895 40 0 BHABRN Cc1cc(Cl)cc(F)c1Br ZINC000067794454 205471056 /nfs/dbraw/zinc/47/10/56/205471056.db2.gz BAGCZQFQADYULL-UHFFFAOYSA-N 0 0 223.472 3.550 40 0 BHABRN Cc1cc(C(F)(F)F)cc(C)c1Cl ZINC000067794491 383946014 /nfs/dbraw/zinc/94/60/14/383946014.db2.gz DGVILDRFZRQNIA-UHFFFAOYSA-N 0 0 208.610 3.976 40 0 BHABRN Cc1csc(C(F)(F)F)c1Cl ZINC000067794638 383946856 /nfs/dbraw/zinc/94/68/56/383946856.db2.gz VQXNGPZGAAPKIC-UHFFFAOYSA-N 0 0 200.612 3.729 40 0 BHABRN Fc1cc(F)c(C(F)(F)F)c(Cl)c1 ZINC000067800054 180950904 /nfs/dbraw/zinc/95/09/04/180950904.db2.gz WIJOUVRWUGTVJU-UHFFFAOYSA-N 0 0 216.536 3.637 40 0 BHABRN Fc1cc(C(F)(F)F)cc(F)c1Cl ZINC000067800058 188304626 /nfs/dbraw/zinc/30/46/26/188304626.db2.gz DBXGGVURUQFFGT-UHFFFAOYSA-N 0 0 216.536 3.637 40 0 BHABRN FC(F)C(F)(F)Oc1ccccc1Cl ZINC000067802979 383949917 /nfs/dbraw/zinc/94/99/17/383949917.db2.gz LPNQOTZWAMYVBZ-UHFFFAOYSA-N 0 0 228.572 3.577 40 0 BHABRN CC(C)(C)OC(=O)c1cc(Cl)cc(Cl)c1 ZINC000068812832 398097947 /nfs/dbraw/zinc/09/79/47/398097947.db2.gz FSWQGLKDXXVMTF-UHFFFAOYSA-N 0 0 247.121 3.949 40 0 BHABRN Cc1ccc([C@H](O)c2cccc3ccccc32)o1 ZINC000068852696 187614386 /nfs/dbraw/zinc/61/43/86/187614386.db2.gz QJGPHZXEDMUYLH-MRXNPFEDSA-N 0 0 238.286 3.823 40 0 BHABRN Cc1ccc([C@@H](O)c2cccc3ccccc32)o1 ZINC000068852698 384017937 /nfs/dbraw/zinc/01/79/37/384017937.db2.gz QJGPHZXEDMUYLH-INIZCTEOSA-N 0 0 238.286 3.823 40 0 BHABRN Cc1ccc([C@H](O)c2ccc3ccccc3c2)o1 ZINC000068852792 178916515 /nfs/dbraw/zinc/91/65/15/178916515.db2.gz UCWQAULJDJDJNV-MRXNPFEDSA-N 0 0 238.286 3.823 40 0 BHABRN Cc1ccc([C@@H](O)c2ccc3ccccc3c2)o1 ZINC000068852796 384018470 /nfs/dbraw/zinc/01/84/70/384018470.db2.gz UCWQAULJDJDJNV-INIZCTEOSA-N 0 0 238.286 3.823 40 0 BHABRN O[C@@H](c1ccoc1)c1cc(Cl)cc(Cl)c1 ZINC000068979264 183186791 /nfs/dbraw/zinc/18/67/91/183186791.db2.gz WQLRVXSFUXMQKO-NSHDSACASA-N 0 0 243.089 3.668 40 0 BHABRN O[C@H](c1ccoc1)c1cc(Cl)cc(Cl)c1 ZINC000068979266 183230341 /nfs/dbraw/zinc/23/03/41/183230341.db2.gz WQLRVXSFUXMQKO-LLVKDONJSA-N 0 0 243.089 3.668 40 0 BHABRN O[C@@H](c1ccco1)c1cc(Cl)cc(Cl)c1 ZINC000068979267 183228148 /nfs/dbraw/zinc/22/81/48/183228148.db2.gz FIPKYCMAHJKXDE-LLVKDONJSA-N 0 0 243.089 3.668 40 0 BHABRN O[C@H](c1ccco1)c1cc(Cl)cc(Cl)c1 ZINC000068979269 183184151 /nfs/dbraw/zinc/18/41/51/183184151.db2.gz 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ZINC000072209380 259316040 /nfs/dbraw/zinc/31/60/40/259316040.db2.gz IHMCLKLDFIXVBF-UHFFFAOYSA-N 0 0 242.105 3.940 40 0 BHABRN CCO[C@@H](C)c1ccc(Br)cc1 ZINC000072209987 259316198 /nfs/dbraw/zinc/31/61/98/259316198.db2.gz GYPWJYYBDQKJJA-QMMMGPOBSA-N 0 0 229.117 3.547 40 0 BHABRN CCO[C@H](C)c1ccc(Br)cc1 ZINC000072209988 259315797 /nfs/dbraw/zinc/31/57/97/259315797.db2.gz GYPWJYYBDQKJJA-MRVPVSSYSA-N 0 0 229.117 3.547 40 0 BHABRN CC(C)O[C@@H](C)c1ccc(Br)cc1 ZINC000072209989 167281041 /nfs/dbraw/zinc/28/10/41/167281041.db2.gz SBBMOLVDIOSBJO-VIFPVBQESA-N 0 0 243.144 3.935 40 0 BHABRN CC(C)O[C@H](C)c1ccc(Br)cc1 ZINC000072209990 167282299 /nfs/dbraw/zinc/28/22/99/167282299.db2.gz SBBMOLVDIOSBJO-SECBINFHSA-N 0 0 243.144 3.935 40 0 BHABRN CCCO[C@@H](C)c1ccc(Br)cc1 ZINC000072209991 259316213 /nfs/dbraw/zinc/31/62/13/259316213.db2.gz XUTPCABXDYEHOU-VIFPVBQESA-N 0 0 243.144 3.937 40 0 BHABRN CCCO[C@H](C)c1ccc(Br)cc1 ZINC000072209992 259315874 /nfs/dbraw/zinc/31/58/74/259315874.db2.gz 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ZINC000072210070 259316091 /nfs/dbraw/zinc/31/60/91/259316091.db2.gz VCCPVOPCUVESMU-JTQLQIEISA-N 0 0 229.117 3.547 40 0 BHABRN CC[C@@H](OC)c1cccc(Br)c1 ZINC000072210071 259316013 /nfs/dbraw/zinc/31/60/13/259316013.db2.gz VCCPVOPCUVESMU-SNVBAGLBSA-N 0 0 229.117 3.547 40 0 BHABRN CCN(CC)c1cc(Cl)c2ccccc2n1 ZINC000072210617 259317346 /nfs/dbraw/zinc/31/73/46/259317346.db2.gz DTXVGCGXBXZLTD-UHFFFAOYSA-N 0 0 234.730 3.734 40 0 BHABRN CCN(CC)c1cc(Cl)nc2ccccc21 ZINC000072210621 259317348 /nfs/dbraw/zinc/31/73/48/259317348.db2.gz PZTFEIWPZJMSES-UHFFFAOYSA-N 0 0 234.730 3.734 40 0 BHABRN Clc1cc(N2CCCCC2)c2ccccc2n1 ZINC000072210623 259317285 /nfs/dbraw/zinc/31/72/85/259317285.db2.gz DBJNBUJNMFRMPR-UHFFFAOYSA-N 0 0 246.741 3.879 40 0 BHABRN CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)nc1 ZINC000072211454 385072788 /nfs/dbraw/zinc/07/27/88/385072788.db2.gz GWWSGFICKUUJQA-GFCCVEGCSA-N 0 0 238.762 3.528 40 0 BHABRN CC(C)C[N@@H+]1CCC[C@H]1c1ccc(Cl)nc1 ZINC000072211455 385070418 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234.368 3.555 40 0 BHABRN CO[C@@H](c1ccc(C(C)=O)cc1)C(C)(C)C ZINC000072219871 259319023 /nfs/dbraw/zinc/31/90/23/259319023.db2.gz SAIDNBOLRXMKFQ-ZDUSSCGKSA-N 0 0 220.312 3.623 40 0 BHABRN CO[C@H](c1ccc(C(C)=O)cc1)C(C)(C)C ZINC000072219872 259318805 /nfs/dbraw/zinc/31/88/05/259318805.db2.gz SAIDNBOLRXMKFQ-CYBMUJFWSA-N 0 0 220.312 3.623 40 0 BHABRN CCCC[C@H](OC)c1ccc(C(C)=O)cc1 ZINC000072219877 259318975 /nfs/dbraw/zinc/31/89/75/259318975.db2.gz PNRKQULIHUJOBQ-AWEZNQCLSA-N 0 0 220.312 3.767 40 0 BHABRN CCCC[C@@H](OC)c1ccc(C(C)=O)cc1 ZINC000072219878 259318910 /nfs/dbraw/zinc/31/89/10/259318910.db2.gz PNRKQULIHUJOBQ-CQSZACIVSA-N 0 0 220.312 3.767 40 0 BHABRN CC(C)(C)Sc1ccc(Br)nc1 ZINC000072221160 259320277 /nfs/dbraw/zinc/32/02/77/259320277.db2.gz GKGZZHUDUNVXGA-UHFFFAOYSA-N 0 0 246.173 3.735 40 0 BHABRN FC(F)(F)c1ccc2c3c(cccc31)CC2 ZINC000072221164 259319929 /nfs/dbraw/zinc/31/99/29/259319929.db2.gz WPTPCCMEMVNRFY-UHFFFAOYSA-N 0 0 222.209 3.957 40 0 BHABRN CCC[C@@H](CO)c1ccc(Cl)cc1Cl 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C=Cc1cnc(OCc2ccccc2)c(C)c1 ZINC000072222395 259530974 /nfs/dbraw/zinc/53/09/74/259530974.db2.gz OJLQDZWDXJSAEF-UHFFFAOYSA-N 0 0 225.291 3.612 40 0 BHABRN Cc1cc(SC(C)(C)C)c[nH]c1=S ZINC000072222753 259320568 /nfs/dbraw/zinc/32/05/68/259320568.db2.gz XKVWIARNSOBOQS-UHFFFAOYSA-N 0 0 213.371 3.943 40 0 BHABRN Cc1cc(SC(C)(C)C)cnc1NC1CC1 ZINC000072222780 259531882 /nfs/dbraw/zinc/53/18/82/259531882.db2.gz RBVKSTTWXHDCGM-UHFFFAOYSA-N 0 0 236.384 3.855 40 0 BHABRN Cc1cc(C=O)cnc1SC1CCCCC1 ZINC000072222782 385112440 /nfs/dbraw/zinc/11/24/40/385112440.db2.gz ZJIAFDVEBYNMKV-UHFFFAOYSA-N 0 0 235.352 3.627 40 0 BHABRN CCC(=O)c1cnc(SC(C)(C)C)c(C)c1 ZINC000072222816 259320719 /nfs/dbraw/zinc/32/07/19/259320719.db2.gz IGRXNLAKIGQKED-UHFFFAOYSA-N 0 0 237.368 3.873 40 0 BHABRN CC[C@H](O)c1cnc(SC(C)(C)C)c(C)c1 ZINC000072222820 259320865 /nfs/dbraw/zinc/32/08/65/259320865.db2.gz YRWMFUPAZFSFRV-NSHDSACASA-N 0 0 239.384 3.724 40 0 BHABRN CC[C@@H](O)c1cnc(SC(C)(C)C)c(C)c1 ZINC000072222821 259320722 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3.526 40 0 BHABRN CCC[C@@H](O)c1nc2ccccc2n1CC(C)C ZINC000076555477 169412604 /nfs/dbraw/zinc/41/26/04/169412604.db2.gz CBARPIQFUQLOGY-CQSZACIVSA-N 0 0 246.354 3.526 40 0 BHABRN CCCCn1c2ccccc2nc1[C@H](O)CCC ZINC000076555557 169035610 /nfs/dbraw/zinc/03/56/10/169035610.db2.gz WZPVTMKMSSPBLR-CQSZACIVSA-N 0 0 246.354 3.670 40 0 BHABRN CCCCn1c2ccccc2nc1[C@@H](O)CCC ZINC000076555558 169035140 /nfs/dbraw/zinc/03/51/40/169035140.db2.gz WZPVTMKMSSPBLR-AWEZNQCLSA-N 0 0 246.354 3.670 40 0 BHABRN FC(F)(F)c1cc2cc(Cl)ccc2[nH]1 ZINC000076647830 384380990 /nfs/dbraw/zinc/38/09/90/384380990.db2.gz YBLDMKKBYWDSDS-UHFFFAOYSA-N 0 0 219.593 3.840 40 0 BHABRN CCCn1cc(C=O)c2cc(Cl)ccc21 ZINC000076816036 169616983 /nfs/dbraw/zinc/61/69/83/169616983.db2.gz HRZBZIIMJCALBL-UHFFFAOYSA-N 0 0 221.687 3.517 40 0 BHABRN Cc1cc2cc(Cl)c(Cl)cc2[nH]1 ZINC000077045854 178296178 /nfs/dbraw/zinc/29/61/78/178296178.db2.gz SSALGAUZGCWFOX-UHFFFAOYSA-N 0 0 200.068 3.783 40 0 BHABRN c1nc(-c2ccc(-c3ccccc3)cc2)c[nH]1 ZINC000077921563 259336370 /nfs/dbraw/zinc/33/63/70/259336370.db2.gz KWNTZSGAQUQYKA-UHFFFAOYSA-N 0 0 220.275 3.744 40 0 BHABRN Cc1nc(Cl)cc(-c2ccc(Cl)cc2)n1 ZINC000078401117 384442398 /nfs/dbraw/zinc/44/23/98/384442398.db2.gz HTBZVTGEZZUYJP-UHFFFAOYSA-N 0 0 239.105 3.759 40 0 BHABRN Fc1ccc(-c2cc(Cl)nc(C3CC3)n2)cc1 ZINC000078401385 384442630 /nfs/dbraw/zinc/44/26/30/384442630.db2.gz KNWOXFGNWKBYHQ-UHFFFAOYSA-N 0 0 248.688 3.814 40 0 BHABRN Cc1ccc(-c2cc(Cl)nc(C3CC3)n2)cc1 ZINC000078401401 178321767 /nfs/dbraw/zinc/32/17/67/178321767.db2.gz IEOUDFCKQDQWAP-UHFFFAOYSA-N 0 0 244.725 3.983 40 0 BHABRN CC(C)(C)c1cc(C=O)n(Cc2ccccc2)c1 ZINC000078404875 384443870 /nfs/dbraw/zinc/44/38/70/384443870.db2.gz PWVACTKLTKIZPC-UHFFFAOYSA-N 0 0 241.334 3.646 40 0 BHABRN CCc1cc(C)n(Cc2ccccc2C)c1C=O ZINC000078405195 171757559 /nfs/dbraw/zinc/75/75/59/171757559.db2.gz VEKZVKNVHRLGTP-UHFFFAOYSA-N 0 0 241.334 3.528 40 0 BHABRN CCc1cc(C)n(Cc2cccc(C)c2)c1C=O ZINC000078405200 384442585 /nfs/dbraw/zinc/44/25/85/384442585.db2.gz QELIWNRLODMQPQ-UHFFFAOYSA-N 0 0 241.334 3.528 40 0 BHABRN CCc1cc(C)n(Cc2ccc(C)cc2)c1C=O ZINC000078405207 384443724 /nfs/dbraw/zinc/44/37/24/384443724.db2.gz JRJRDDMNZYZAKD-UHFFFAOYSA-N 0 0 241.334 3.528 40 0 BHABRN Cc1nc(-c2cccc(OC(F)F)c2)cs1 ZINC000078406430 179866532 /nfs/dbraw/zinc/86/65/32/179866532.db2.gz RXYIVOHCVZYHIX-UHFFFAOYSA-N 0 0 241.262 3.720 40 0 BHABRN Cc1cc(C)c(N)c(Oc2ccccc2)c1 ZINC000078635998 384450587 /nfs/dbraw/zinc/45/05/87/384450587.db2.gz YCKPJAMQLSRVPI-UHFFFAOYSA-N 0 0 213.280 3.678 40 0 BHABRN Nc1nc(-c2ccccc2)c(Cl)cc1Cl ZINC000079006472 384475667 /nfs/dbraw/zinc/47/56/67/384475667.db2.gz CWFMYTDQUVKLPR-UHFFFAOYSA-N 0 0 239.105 3.638 40 0 BHABRN CC(C)OCCCSc1ccccc1 ZINC000079006873 167225631 /nfs/dbraw/zinc/22/56/31/167225631.db2.gz OEKADLJLVCRSLP-UHFFFAOYSA-N 0 0 210.342 3.594 40 0 BHABRN COc1ccc2cc(Br)sc2c1 ZINC000079195820 175224107 /nfs/dbraw/zinc/22/41/07/175224107.db2.gz ZPGUHASFFYDIDX-UHFFFAOYSA-N 0 0 243.125 3.672 40 0 BHABRN Fc1cccc(Br)c1C(F)F ZINC000079387274 387854534 /nfs/dbraw/zinc/85/45/34/387854534.db2.gz CRUJWSKZSKRRLV-UHFFFAOYSA-N 0 0 225.007 3.526 40 0 BHABRN Cc1c(F)cc(Cl)cc1Br ZINC000079387445 387855855 /nfs/dbraw/zinc/85/58/55/387855855.db2.gz GJIIZLQZXRJLQM-UHFFFAOYSA-N 0 0 223.472 3.550 40 0 BHABRN CC(C)CCSc1ccc([C@@H](C)O)cc1 ZINC000079583267 388696921 /nfs/dbraw/zinc/69/69/21/388696921.db2.gz GWHOPVPUFSYBNQ-LLVKDONJSA-N 0 0 224.369 3.878 40 0 BHABRN CC(C)CCSc1ccc([C@H](C)O)cc1 ZINC000079583271 388697501 /nfs/dbraw/zinc/69/75/01/388697501.db2.gz GWHOPVPUFSYBNQ-NSHDSACASA-N 0 0 224.369 3.878 40 0 BHABRN Cc1cccc2c1N(C(=O)OC(C)(C)C)CCC2 ZINC000080121538 132305978 /nfs/dbraw/zinc/30/59/78/132305978.db2.gz WOYXFKBKBCLJRP-UHFFFAOYSA-N 0 0 247.338 3.683 40 0 BHABRN c1cc2cccc(Cc3ccccc3)c2[nH]1 ZINC000080441295 384167268 /nfs/dbraw/zinc/16/72/68/384167268.db2.gz FNPGHHIWEDACLV-UHFFFAOYSA-N 0 0 207.276 3.759 40 0 BHABRN Clc1cccc2[nH]nc(-c3ccccc3)c21 ZINC000080441459 384167747 /nfs/dbraw/zinc/16/77/47/384167747.db2.gz PMPBCDZBRDFBQE-UHFFFAOYSA-N 0 0 228.682 3.883 40 0 BHABRN CSc1cc(Cl)cc(Br)c1 ZINC000080528106 384561242 /nfs/dbraw/zinc/56/12/42/384561242.db2.gz CCMUSMZCVAPTEC-UHFFFAOYSA-N 0 0 237.549 3.824 40 0 BHABRN COC(=O)c1ccc(/C=C\c2ccccc2)cc1 ZINC000081144680 384607063 /nfs/dbraw/zinc/60/70/63/384607063.db2.gz VWHFZNARASKJAS-FPLPWBNLSA-N 0 0 238.286 3.644 40 0 BHABRN Clc1cc2ccccc2nc1Br ZINC000082046618 384217441 /nfs/dbraw/zinc/21/74/41/384217441.db2.gz QIKPVFAIKMBIGU-UHFFFAOYSA-N 0 0 242.503 3.651 40 0 BHABRN Cn1ccc2c1cccc2OCc1ccccc1 ZINC000082046667 384216436 /nfs/dbraw/zinc/21/64/36/384216436.db2.gz LNDAWVOJQQXZTO-UHFFFAOYSA-N 0 0 237.302 3.757 40 0 BHABRN FC(F)(F)c1nc2cc(Cl)ccc2o1 ZINC000082046885 384644049 /nfs/dbraw/zinc/64/40/49/384644049.db2.gz UTCNANZHCGNAST-UHFFFAOYSA-N 0 0 221.565 3.500 40 0 BHABRN Brc1ccc2cscc2c1 ZINC000082048550 166099374 /nfs/dbraw/zinc/09/93/74/166099374.db2.gz KSGPYDSULDKNBO-UHFFFAOYSA-N 0 0 213.099 3.664 40 0 BHABRN COc1cccc2nc(-c3ccccc3)ccc21 ZINC000082049605 175307408 /nfs/dbraw/zinc/30/74/08/175307408.db2.gz OMJZCFLZDZRBBN-UHFFFAOYSA-N 0 0 235.286 3.910 40 0 BHABRN O=c1cccc2[nH]c(-c3ccccc3)ccc1-2 ZINC000082049625 183298654 /nfs/dbraw/zinc/29/86/54/183298654.db2.gz UXDHRRYKWXOZOT-UHFFFAOYSA-N 0 0 221.259 3.607 40 0 BHABRN Cc1ccc(C(=O)NCC2CCCCC2)cc1C ZINC000082284061 178406110 /nfs/dbraw/zinc/40/61/10/178406110.db2.gz UTPFXCKTIAPVLM-UHFFFAOYSA-N 0 0 245.366 3.614 40 0 BHABRN CC(=O)c1c[nH]c2ccc(Cl)c(Cl)c12 ZINC000082351202 344811330 /nfs/dbraw/zinc/81/13/30/344811330.db2.gz ADWXRSCMMGXVQA-UHFFFAOYSA-N 0 0 228.078 3.677 40 0 BHABRN O=C(c1cccc(F)c1)C1CCCCCC1 ZINC000082365250 384674461 /nfs/dbraw/zinc/67/44/61/384674461.db2.gz VDRPPNRVCVTFAP-UHFFFAOYSA-N 0 0 220.287 3.979 40 0 BHABRN Cc1coc2cccc(Br)c12 ZINC000082373800 179758571 /nfs/dbraw/zinc/75/85/71/179758571.db2.gz UVSSOPQSGLQQRX-UHFFFAOYSA-N 0 0 211.058 3.504 40 0 BHABRN Cc1cc2c(cccc2Br)o1 ZINC000082373801 178278528 /nfs/dbraw/zinc/27/85/28/178278528.db2.gz HDBQHMPOMJRHBK-UHFFFAOYSA-N 0 0 211.058 3.504 40 0 BHABRN CC(C)(C)c1cc(CO)c2cccc(Cl)c2n1 ZINC000082466976 566400632 /nfs/dbraw/zinc/40/06/32/566400632.db2.gz MEDOSKKAZAIABV-UHFFFAOYSA-N 0 0 249.741 3.678 40 0 BHABRN Cc1nc(-c2ccc(Cl)cc2)ccc1C=O ZINC000082481355 179863635 /nfs/dbraw/zinc/86/36/35/179863635.db2.gz SHBCXZHDTIMDKF-UHFFFAOYSA-N 0 0 231.682 3.523 40 0 BHABRN CCCCCNc1cc(Cl)nc(C2CC2)n1 ZINC000082509662 384738532 /nfs/dbraw/zinc/73/85/32/384738532.db2.gz ONHONKAPYZTMJB-UHFFFAOYSA-N 0 0 239.750 3.610 40 0 BHABRN CNc1cccc(-c2nc3ccccc3o2)c1 ZINC000082539863 173481287 /nfs/dbraw/zinc/48/12/87/173481287.db2.gz VPOCUMPRBMUVSE-UHFFFAOYSA-N 0 0 224.263 3.537 40 0 BHABRN Cc1cc(C)c(C(=O)CC(C)C)cc1C ZINC000082593218 384697129 /nfs/dbraw/zinc/69/71/29/384697129.db2.gz USDJVTBFQQOSTP-UHFFFAOYSA-N 0 0 204.313 3.841 40 0 BHABRN O=C(c1cc(Cl)ccc1F)C1CCCC1 ZINC000082600401 385608839 /nfs/dbraw/zinc/60/88/39/385608839.db2.gz AXLJAFPPLIHTON-UHFFFAOYSA-N 0 0 226.678 3.852 40 0 BHABRN CCCCSc1ccccc1[C@@H](C)O ZINC000082616803 345529882 /nfs/dbraw/zinc/52/98/82/345529882.db2.gz FIMSYONKVUCUMV-SNVBAGLBSA-N 0 0 210.342 3.632 40 0 BHABRN CCCCSc1ccccc1[C@H](C)O ZINC000082616804 345529385 /nfs/dbraw/zinc/52/93/85/345529385.db2.gz FIMSYONKVUCUMV-JTQLQIEISA-N 0 0 210.342 3.632 40 0 BHABRN CC(C)CC(=O)c1c[nH]c2ccc(F)cc12 ZINC000082643965 519612068 /nfs/dbraw/zinc/61/20/68/519612068.db2.gz PLFGPWWKAHIZMX-UHFFFAOYSA-N 0 0 219.259 3.536 40 0 BHABRN CC(C)(C)C(=O)c1c[nH]c2ccc(F)cc12 ZINC000082643969 518594318 /nfs/dbraw/zinc/59/43/18/518594318.db2.gz CRXGKHLOLTVQSY-UHFFFAOYSA-N 0 0 219.259 3.536 40 0 BHABRN O[C@@H](c1c(F)cccc1F)C1CCCCC1 ZINC000082676568 183185175 /nfs/dbraw/zinc/18/51/75/183185175.db2.gz IOQNSAGHBRGSBW-CYBMUJFWSA-N 0 0 226.266 3.579 40 0 BHABRN O[C@H](c1c(F)cccc1F)C1CCCCC1 ZINC000082676572 183228259 /nfs/dbraw/zinc/22/82/59/183228259.db2.gz IOQNSAGHBRGSBW-ZDUSSCGKSA-N 0 0 226.266 3.579 40 0 BHABRN Cc1ccc([C@H](O)c2ccc(F)cc2C)s1 ZINC000082676604 384701462 /nfs/dbraw/zinc/70/14/62/384701462.db2.gz JVNVMFOACIPTKA-CYBMUJFWSA-N 0 0 236.311 3.586 40 0 BHABRN Cc1ccc([C@@H](O)c2ccc(F)cc2C)s1 ZINC000082676605 384700357 /nfs/dbraw/zinc/70/03/57/384700357.db2.gz JVNVMFOACIPTKA-ZDUSSCGKSA-N 0 0 236.311 3.586 40 0 BHABRN O[C@@H](c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000082677753 183184659 /nfs/dbraw/zinc/18/46/59/183184659.db2.gz RCKMCHVBYOHQMM-GFCCVEGCSA-N 0 0 228.694 3.703 40 0 BHABRN O[C@H](c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000082677755 183228495 /nfs/dbraw/zinc/22/84/95/183228495.db2.gz RCKMCHVBYOHQMM-LBPRGKRZSA-N 0 0 228.694 3.703 40 0 BHABRN O[C@@H](c1cccs1)c1ccc(Cl)c(F)c1 ZINC000082677785 183228732 /nfs/dbraw/zinc/22/87/32/183228732.db2.gz LQEOTXCXKTUXCR-LLVKDONJSA-N 0 0 242.702 3.622 40 0 BHABRN O[C@H](c1cccs1)c1ccc(Cl)c(F)c1 ZINC000082677787 183184742 /nfs/dbraw/zinc/18/47/42/183184742.db2.gz LQEOTXCXKTUXCR-NSHDSACASA-N 0 0 242.702 3.622 40 0 BHABRN CCC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000082677967 169521295 /nfs/dbraw/zinc/52/12/95/169521295.db2.gz URQXHBHYPBJTBP-JTQLQIEISA-N 0 0 219.111 3.827 40 0 BHABRN CCC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000082677969 169412494 /nfs/dbraw/zinc/41/24/94/169412494.db2.gz URQXHBHYPBJTBP-SNVBAGLBSA-N 0 0 219.111 3.827 40 0 BHABRN CCCCSc1cccc(C(C)=O)c1 ZINC000082761257 343463547 /nfs/dbraw/zinc/46/35/47/343463547.db2.gz RVZLBQLFNDFBRL-UHFFFAOYSA-N 0 0 208.326 3.781 40 0 BHABRN CC(=O)c1cccc(SCC(C)C)c1 ZINC000082761290 166480149 /nfs/dbraw/zinc/48/01/49/166480149.db2.gz PSIPBVMGEYTNLO-UHFFFAOYSA-N 0 0 208.326 3.637 40 0 BHABRN CCCCSc1cccc([C@@H](C)O)c1 ZINC000082761828 345726705 /nfs/dbraw/zinc/72/67/05/345726705.db2.gz AEVANLBLXFYXLZ-SNVBAGLBSA-N 0 0 210.342 3.632 40 0 BHABRN CCCCSc1cccc([C@H](C)O)c1 ZINC000082761829 345726752 /nfs/dbraw/zinc/72/67/52/345726752.db2.gz AEVANLBLXFYXLZ-JTQLQIEISA-N 0 0 210.342 3.632 40 0 BHABRN CC(C)CCSc1cccc([C@@H](C)O)c1 ZINC000082761938 384563911 /nfs/dbraw/zinc/56/39/11/384563911.db2.gz LLTKMFNAOXOAED-LLVKDONJSA-N 0 0 224.369 3.878 40 0 BHABRN CC(C)CCSc1cccc([C@H](C)O)c1 ZINC000082761939 166889745 /nfs/dbraw/zinc/88/97/45/166889745.db2.gz LLTKMFNAOXOAED-NSHDSACASA-N 0 0 224.369 3.878 40 0 BHABRN CCOc1ccc2nc(Cl)cc(Cl)c2c1 ZINC000082788816 384713437 /nfs/dbraw/zinc/71/34/37/384713437.db2.gz OLNDNAJZRNAGQJ-UHFFFAOYSA-N 0 0 242.105 3.940 40 0 BHABRN CCC(O)(CC)c1cc(C)c(C)cc1C ZINC000083138387 384623909 /nfs/dbraw/zinc/62/39/09/384623909.db2.gz SHEJGDAYIRQSID-UHFFFAOYSA-N 0 0 206.329 3.619 40 0 BHABRN CSc1ccc([C@H](O)c2cccs2)cc1 ZINC000083140014 384846324 /nfs/dbraw/zinc/84/63/24/384846324.db2.gz TUHKCMUECMWDEQ-LBPRGKRZSA-N 0 0 236.361 3.552 40 0 BHABRN CSc1ccc([C@@H](O)c2cccs2)cc1 ZINC000083140018 384844559 /nfs/dbraw/zinc/84/45/59/384844559.db2.gz TUHKCMUECMWDEQ-GFCCVEGCSA-N 0 0 236.361 3.552 40 0 BHABRN Cc1cc([C@H](O)c2cccs2)ccc1Cl ZINC000083140555 178264081 /nfs/dbraw/zinc/26/40/81/178264081.db2.gz OCXBLOKVDYAWQG-LBPRGKRZSA-N 0 0 238.739 3.792 40 0 BHABRN Cc1cc([C@@H](O)c2cccs2)ccc1Cl ZINC000083140558 178239712 /nfs/dbraw/zinc/23/97/12/178239712.db2.gz OCXBLOKVDYAWQG-GFCCVEGCSA-N 0 0 238.739 3.792 40 0 BHABRN O=Cc1ccc(/C=C\c2ccccc2)cc1 ZINC000083325301 384757775 /nfs/dbraw/zinc/75/77/75/384757775.db2.gz CLXSBHRRZNBTRT-SREVYHEPSA-N 0 0 208.260 3.670 40 0 BHABRN CC(C)CNc1cccc2ccc(O)cc21 ZINC000083348348 167019887 /nfs/dbraw/zinc/01/98/87/167019887.db2.gz DYSZCPCCUSZAHM-UHFFFAOYSA-N 0 0 215.296 3.613 40 0 BHABRN Fc1ccc(C(F)(F)F)c(Cl)c1F ZINC000083351215 388048574 /nfs/dbraw/zinc/04/85/74/388048574.db2.gz TVHKVPRZJMODNX-UHFFFAOYSA-N 0 0 216.536 3.637 40 0 BHABRN Fc1cc(F)c(Cl)c(C(F)(F)F)c1 ZINC000083351218 180950249 /nfs/dbraw/zinc/95/02/49/180950249.db2.gz YAOBMQFGHMUUBG-UHFFFAOYSA-N 0 0 216.536 3.637 40 0 BHABRN FC(F)(F)c1cccc2nc(Cl)sc21 ZINC000083428684 180896097 /nfs/dbraw/zinc/89/60/97/180896097.db2.gz QBUHIHDWDWLQQQ-UHFFFAOYSA-N 0 0 237.633 3.969 40 0 BHABRN O[C@H](c1ccsc1)c1ccc(Cl)c(F)c1 ZINC000083448240 183230716 /nfs/dbraw/zinc/23/07/16/183230716.db2.gz XFCJOGOKKBZSME-NSHDSACASA-N 0 0 242.702 3.622 40 0 BHABRN O[C@@H](c1ccsc1)c1ccc(Cl)c(F)c1 ZINC000083448242 183187046 /nfs/dbraw/zinc/18/70/46/183187046.db2.gz XFCJOGOKKBZSME-LLVKDONJSA-N 0 0 242.702 3.622 40 0 BHABRN O[C@H](c1ccsc1)c1ccc(F)c(Cl)c1 ZINC000083450657 183230210 /nfs/dbraw/zinc/23/02/10/183230210.db2.gz NGJJNTSOXIOMDD-NSHDSACASA-N 0 0 242.702 3.622 40 0 BHABRN O[C@@H](c1ccsc1)c1ccc(F)c(Cl)c1 ZINC000083450659 183186315 /nfs/dbraw/zinc/18/63/15/183186315.db2.gz NGJJNTSOXIOMDD-LLVKDONJSA-N 0 0 242.702 3.622 40 0 BHABRN CCCCOc1ccc(Br)c(F)c1 ZINC000083576919 384784450 /nfs/dbraw/zinc/78/44/50/384784450.db2.gz QQZQZZKHAQDOQS-UHFFFAOYSA-N 0 0 247.107 3.767 40 0 BHABRN Cc1ccccc1[C@H](O)C1CCCCCC1 ZINC000083779185 179345340 /nfs/dbraw/zinc/34/53/40/179345340.db2.gz QFHNFRHWYZCWRL-OAHLLOKOSA-N 0 0 218.340 3.999 40 0 BHABRN Cc1ccccc1[C@@H](O)C1CCCCCC1 ZINC000083779186 179325936 /nfs/dbraw/zinc/32/59/36/179325936.db2.gz QFHNFRHWYZCWRL-HNNXBMFYSA-N 0 0 218.340 3.999 40 0 BHABRN Cc1cccc([C@H](O)C2CCCCCC2)c1 ZINC000083779209 179202178 /nfs/dbraw/zinc/20/21/78/179202178.db2.gz FBUHMZZIZSLGBE-OAHLLOKOSA-N 0 0 218.340 3.999 40 0 BHABRN Cc1cccc([C@@H](O)C2CCCCCC2)c1 ZINC000083779210 179187146 /nfs/dbraw/zinc/18/71/46/179187146.db2.gz FBUHMZZIZSLGBE-HNNXBMFYSA-N 0 0 218.340 3.999 40 0 BHABRN O[C@@H](c1ccccc1F)C1CCCCCC1 ZINC000083779241 183186033 /nfs/dbraw/zinc/18/60/33/183186033.db2.gz QHUNUCSVQJUKAE-CQSZACIVSA-N 0 0 222.303 3.830 40 0 BHABRN O[C@H](c1ccccc1F)C1CCCCCC1 ZINC000083779242 183229240 /nfs/dbraw/zinc/22/92/40/183229240.db2.gz QHUNUCSVQJUKAE-AWEZNQCLSA-N 0 0 222.303 3.830 40 0 BHABRN O[C@@H](c1cccc(F)c1)C1CCCCCC1 ZINC000083779255 183185386 /nfs/dbraw/zinc/18/53/86/183185386.db2.gz OUPLDMDMDWTZJC-CQSZACIVSA-N 0 0 222.303 3.830 40 0 BHABRN O[C@H](c1cccc(F)c1)C1CCCCCC1 ZINC000083779256 183229733 /nfs/dbraw/zinc/22/97/33/183229733.db2.gz OUPLDMDMDWTZJC-AWEZNQCLSA-N 0 0 222.303 3.830 40 0 BHABRN CC(=O)c1cc2cccc(C(C)(C)C)c2o1 ZINC000083815243 518294344 /nfs/dbraw/zinc/29/43/44/518294344.db2.gz JMPWMEPVQAUQKB-UHFFFAOYSA-N 0 0 216.280 3.933 40 0 BHABRN Cc1ccc(-c2cccc(C=O)c2)s1 ZINC000084005916 178326211 /nfs/dbraw/zinc/32/62/11/178326211.db2.gz JORXPXHQACIUGO-UHFFFAOYSA-N 0 0 202.278 3.536 40 0 BHABRN CCc1ccccc1[C@H](O)c1ccc(C)s1 ZINC000084007032 384828233 /nfs/dbraw/zinc/82/82/33/384828233.db2.gz KZYMBRLWMKITST-AWEZNQCLSA-N 0 0 232.348 3.701 40 0 BHABRN CCc1ccccc1[C@@H](O)c1ccc(C)s1 ZINC000084007034 384827726 /nfs/dbraw/zinc/82/77/26/384827726.db2.gz KZYMBRLWMKITST-CQSZACIVSA-N 0 0 232.348 3.701 40 0 BHABRN COc1c(C)cc(C(=O)CC(C)C)cc1C ZINC000084012630 387433053 /nfs/dbraw/zinc/43/30/53/387433053.db2.gz KZWABGMLUXWAHV-UHFFFAOYSA-N 0 0 220.312 3.541 40 0 BHABRN Cc1cc(C)cc(-c2cc(Cl)nc(C)n2)c1 ZINC000084025062 345920765 /nfs/dbraw/zinc/92/07/65/345920765.db2.gz XMSRVCWOJDVZLK-UHFFFAOYSA-N 0 0 232.714 3.722 40 0 BHABRN Cc1nc(Cl)cc(-c2ccccc2Cl)n1 ZINC000084025446 345920751 /nfs/dbraw/zinc/92/07/51/345920751.db2.gz 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CSc1ccccc1[C@@H](O)c1cccs1 ZINC000084193702 398204022 /nfs/dbraw/zinc/20/40/22/398204022.db2.gz XDFBJOAKYYYBQB-GFCCVEGCSA-N 0 0 236.361 3.552 40 0 BHABRN FC(F)(F)c1cc(Cl)n(C2CCCC2)n1 ZINC000084251932 384617180 /nfs/dbraw/zinc/61/71/80/384617180.db2.gz QRYMMSBCKMQQCS-UHFFFAOYSA-N 0 0 238.640 3.670 40 0 BHABRN Clc1cc(Br)cc2ccoc21 ZINC000084326637 384858314 /nfs/dbraw/zinc/85/83/14/384858314.db2.gz RGULZZFQDQMTNC-UHFFFAOYSA-N 0 0 231.476 3.849 40 0 BHABRN CCC(O)(CC)c1cccc(Cl)c1C ZINC000084393953 168425787 /nfs/dbraw/zinc/42/57/87/168425787.db2.gz GJEIEIAYNCQNHE-UHFFFAOYSA-N 0 0 212.720 3.656 40 0 BHABRN O=C1c2ccccc2S[C@@H]1c1ccccc1 ZINC000084459934 387447675 /nfs/dbraw/zinc/44/76/75/387447675.db2.gz VWIXUROTJVJZOL-CQSZACIVSA-N 0 0 226.300 3.716 40 0 BHABRN O=C1c2ccccc2S[C@H]1c1ccccc1 ZINC000084459936 387448092 /nfs/dbraw/zinc/44/80/92/387448092.db2.gz VWIXUROTJVJZOL-AWEZNQCLSA-N 0 0 226.300 3.716 40 0 BHABRN CCSc1ccc(C(=O)c2ccco2)cc1 ZINC000084515781 384733171 /nfs/dbraw/zinc/73/31/71/384733171.db2.gz WCUWRORMVBIQHA-UHFFFAOYSA-N 0 0 232.304 3.623 40 0 BHABRN CCC(=O)c1cc(Cl)ccc1Br ZINC000085210521 168254686 /nfs/dbraw/zinc/25/46/86/168254686.db2.gz VJGHCNIZXHSYNK-UHFFFAOYSA-N 0 0 247.519 3.695 40 0 BHABRN Cc1cc2occc2cc1Br ZINC000085221337 178307773 /nfs/dbraw/zinc/30/77/73/178307773.db2.gz FOWAAUYNAZZPIZ-UHFFFAOYSA-N 0 0 211.058 3.504 40 0 BHABRN Clc1cc(-c2ccncc2)cc2ncccc12 ZINC000085223971 384927630 /nfs/dbraw/zinc/92/76/30/384927630.db2.gz JLBAAXDUOZKQBI-UHFFFAOYSA-N 0 0 240.693 3.950 40 0 BHABRN Cc1cnc(Cl)nc1-c1c[nH]c2ccccc21 ZINC000085224101 384928904 /nfs/dbraw/zinc/92/89/04/384928904.db2.gz KNIYPYPQRUZYQB-UHFFFAOYSA-N 0 0 243.697 3.587 40 0 BHABRN C/C1=C\CC/C(C)=C/[C@H]2[C@@H]([C@@H](O)C1)C2(C)C ZINC000085340643 384938397 /nfs/dbraw/zinc/93/83/97/384938397.db2.gz DYXWUZXSAMLWND-TZPHEIQMSA-N 0 0 220.356 3.696 40 0 biogenic,in-vitro BHABRN COc1ccc2c(C)cc(C)nc2c1Cl ZINC000085385464 175203689 /nfs/dbraw/zinc/20/36/89/175203689.db2.gz 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ZINC000085388730 385151311 /nfs/dbraw/zinc/15/13/11/385151311.db2.gz ISNKGSGIZSZMST-GFCCVEGCSA-N 0 0 236.314 3.835 40 0 BHABRN c1ccc2c(c1)-c1ccccc1C2[C@H]1CCOC1 ZINC000085388733 385149621 /nfs/dbraw/zinc/14/96/21/385149621.db2.gz ISNKGSGIZSZMST-LBPRGKRZSA-N 0 0 236.314 3.835 40 0 BHABRN CC(=O)c1cccc2c3ccccc3oc21 ZINC000085388955 384941273 /nfs/dbraw/zinc/94/12/73/384941273.db2.gz CATAPWNWWJUZJH-UHFFFAOYSA-N 0 0 210.232 3.789 40 0 BHABRN c1n[nH]cc1-c1ccc(OCC2CCCC2)cc1 ZINC000085390972 183329253 /nfs/dbraw/zinc/32/92/53/183329253.db2.gz QKUVHLAHLSQIMV-UHFFFAOYSA-N 0 0 242.322 3.646 40 0 BHABRN c1n[nH]cc1-c1ccc(OC2CCCCC2)cc1 ZINC000085390975 183329821 /nfs/dbraw/zinc/32/98/21/183329821.db2.gz VDMZKONOWPUIFV-UHFFFAOYSA-N 0 0 242.322 3.788 40 0 BHABRN CC(C)CCOc1ccc(-c2cn[nH]c2)cc1 ZINC000085391405 385156188 /nfs/dbraw/zinc/15/61/88/385156188.db2.gz WSUZDYRRBBUTNO-UHFFFAOYSA-N 0 0 230.311 3.502 40 0 BHABRN CO[C@H](c1ccc(O)c2ccccc21)C(C)C ZINC000085391409 385156027 /nfs/dbraw/zinc/15/60/27/385156027.db2.gz QINYGVWWXFUUPW-HNNXBMFYSA-N 0 0 230.307 3.889 40 0 BHABRN CO[C@@H](c1ccc(O)c2ccccc21)C(C)C ZINC000085391414 385156150 /nfs/dbraw/zinc/15/61/50/385156150.db2.gz QINYGVWWXFUUPW-OAHLLOKOSA-N 0 0 230.307 3.889 40 0 BHABRN CC(C)O[C@@H](C)c1ccc(N)c2ccccc21 ZINC000085391422 167280384 /nfs/dbraw/zinc/28/03/84/167280384.db2.gz NVTAAHJTJAKCCE-NSHDSACASA-N 0 0 229.323 3.908 40 0 BHABRN CC(C)O[C@H](C)c1ccc(N)c2ccccc21 ZINC000085391427 167282352 /nfs/dbraw/zinc/28/23/52/167282352.db2.gz NVTAAHJTJAKCCE-LLVKDONJSA-N 0 0 229.323 3.908 40 0 BHABRN CC[C@H](OC)c1ccc(N)c2ccccc21 ZINC000085391511 171589275 /nfs/dbraw/zinc/58/92/75/171589275.db2.gz RQQHIBSIEOQSPW-AWEZNQCLSA-N 0 0 215.296 3.520 40 0 BHABRN CC[C@@H](OC)c1ccc(N)c2ccccc21 ZINC000085391513 344526881 /nfs/dbraw/zinc/52/68/81/344526881.db2.gz RQQHIBSIEOQSPW-CQSZACIVSA-N 0 0 215.296 3.520 40 0 BHABRN CCO[C@@H](C)c1ccc(N)c2ccccc21 ZINC000085391516 385156455 /nfs/dbraw/zinc/15/64/55/385156455.db2.gz CBESSUAHBNNMQI-JTQLQIEISA-N 0 0 215.296 3.520 40 0 BHABRN CCO[C@H](C)c1ccc(N)c2ccccc21 ZINC000085391519 170502046 /nfs/dbraw/zinc/50/20/46/170502046.db2.gz CBESSUAHBNNMQI-SNVBAGLBSA-N 0 0 215.296 3.520 40 0 BHABRN Fc1ccc(-c2cnco2)c2ccccc12 ZINC000085391527 385157131 /nfs/dbraw/zinc/15/71/31/385157131.db2.gz LSPHPRIHTIHWBJ-UHFFFAOYSA-N 0 0 213.211 3.634 40 0 BHABRN CCn1cc(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000085391772 172149169 /nfs/dbraw/zinc/14/91/69/172149169.db2.gz YCVCVXBWAAGIOQ-UHFFFAOYSA-N 0 0 241.121 3.877 40 0 BHABRN CCn1cc(-c2cccc3ccccc32)cn1 ZINC000085391791 172149194 /nfs/dbraw/zinc/14/91/94/172149194.db2.gz BUPPZWGIKBJUOY-UHFFFAOYSA-N 0 0 222.291 3.723 40 0 BHABRN CCO[C@@H](C)c1ccc(O)c2ccccc21 ZINC000085391802 385156185 /nfs/dbraw/zinc/15/61/85/385156185.db2.gz LOSOOJYHJLARSD-JTQLQIEISA-N 0 0 216.280 3.643 40 0 BHABRN CCO[C@H](C)c1ccc(O)c2ccccc21 ZINC000085391805 385156132 /nfs/dbraw/zinc/15/61/32/385156132.db2.gz LOSOOJYHJLARSD-SNVBAGLBSA-N 0 0 216.280 3.643 40 0 BHABRN CC[C@H](OC)c1ccc(O)c2ccccc21 ZINC000085391809 385156594 /nfs/dbraw/zinc/15/65/94/385156594.db2.gz NZVBSCRXYVAUCW-AWEZNQCLSA-N 0 0 216.280 3.643 40 0 BHABRN CC[C@@H](OC)c1ccc(O)c2ccccc21 ZINC000085391813 170944744 /nfs/dbraw/zinc/94/47/44/170944744.db2.gz NZVBSCRXYVAUCW-CQSZACIVSA-N 0 0 216.280 3.643 40 0 BHABRN CCCCOc1ccc(C=O)c2ccccc12 ZINC000085391938 368864975 /nfs/dbraw/zinc/86/49/75/368864975.db2.gz GXTSCMOHAMSSNP-UHFFFAOYSA-N 0 0 228.291 3.831 40 0 BHABRN COc1cc(OC)c2ccccc2c1Cl ZINC000085392578 175009724 /nfs/dbraw/zinc/00/97/24/175009724.db2.gz OIJWBEFKBRUSCL-UHFFFAOYSA-N 0 0 222.671 3.510 40 0 BHABRN CCCCc1sc(C(=O)OC)cc1Cl ZINC000085393014 169032720 /nfs/dbraw/zinc/03/27/20/169032720.db2.gz JDCJFOICWPQLRM-UHFFFAOYSA-N 0 0 232.732 3.531 40 0 BHABRN CCCCc1sc(C=O)cc1Br ZINC000085393169 169033100 /nfs/dbraw/zinc/03/31/00/169033100.db2.gz MJCGCPJKNAHUKO-UHFFFAOYSA-N 0 0 247.157 3.666 40 0 BHABRN CC(C)Cc1sc(C=O)cc1Br ZINC000085393174 385158325 /nfs/dbraw/zinc/15/83/25/385158325.db2.gz OTZYOMALNFIKCM-UHFFFAOYSA-N 0 0 247.157 3.522 40 0 BHABRN CCCc1sc(C(C)=O)cc1Cl ZINC000085393252 169610812 /nfs/dbraw/zinc/61/08/12/169610812.db2.gz TYLIWLSQDHXXKC-UHFFFAOYSA-N 0 0 202.706 3.557 40 0 BHABRN CCCCc1sc(C(C)=O)cc1Cl ZINC000085393255 169032795 /nfs/dbraw/zinc/03/27/95/169032795.db2.gz PSDDFBFEAKNJIG-UHFFFAOYSA-N 0 0 216.733 3.947 40 0 BHABRN CC(=O)c1cc(Cl)c(CC(C)C)s1 ZINC000085393259 385158931 /nfs/dbraw/zinc/15/89/31/385158931.db2.gz WWWUWFLCTUZTLH-UHFFFAOYSA-N 0 0 216.733 3.803 40 0 BHABRN CCCO[C@@H](C)c1ccc(N)c2ccccc21 ZINC000085393972 169311138 /nfs/dbraw/zinc/31/11/38/169311138.db2.gz GWVAHCBCGSYWIU-NSHDSACASA-N 0 0 229.323 3.910 40 0 BHABRN CCCO[C@H](C)c1ccc(N)c2ccccc21 ZINC000085393975 169312476 /nfs/dbraw/zinc/31/24/76/169312476.db2.gz GWVAHCBCGSYWIU-LLVKDONJSA-N 0 0 229.323 3.910 40 0 BHABRN c1ccc(OC[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000085395209 183421275 /nfs/dbraw/zinc/42/12/75/183421275.db2.gz BOJLIHBFEKGRAM-ZBFHGGJFSA-N 0 0 224.303 3.869 40 0 BHABRN 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385165234 /nfs/dbraw/zinc/16/52/34/385165234.db2.gz PZAHFAZCBWHOTB-UHFFFAOYSA-N 0 0 242.503 3.651 40 0 BHABRN CCCCCSc1cccc(C=O)c1 ZINC000085536487 387490841 /nfs/dbraw/zinc/49/08/41/387490841.db2.gz GPLOLDDHQDURNJ-UHFFFAOYSA-N 0 0 208.326 3.781 40 0 BHABRN CCCCCCSc1cccc(CO)c1 ZINC000085537296 384951471 /nfs/dbraw/zinc/95/14/71/384951471.db2.gz ZQFPHKHOHBBVOD-UHFFFAOYSA-N 0 0 224.369 3.851 40 0 BHABRN CCCCC(=O)c1cc(C)c(C)cc1C ZINC000086315036 384635255 /nfs/dbraw/zinc/63/52/55/384635255.db2.gz FYJDMYRQOZVOHA-UHFFFAOYSA-N 0 0 204.313 3.985 40 0 BHABRN CCCc1ccc([C@](C)(O)CCC)cc1 ZINC000086336322 385772290 /nfs/dbraw/zinc/77/22/90/385772290.db2.gz WLPORBIABPIUHY-CQSZACIVSA-N 0 0 206.329 3.647 40 0 BHABRN CCCc1ccc([C@@](C)(O)CCC)cc1 ZINC000086336324 385771867 /nfs/dbraw/zinc/77/18/67/385771867.db2.gz WLPORBIABPIUHY-AWEZNQCLSA-N 0 0 206.329 3.647 40 0 BHABRN CCC[C@](C)(O)c1ccc(C(C)C)cc1 ZINC000086336326 387520066 /nfs/dbraw/zinc/52/00/66/387520066.db2.gz KKMRQRHHFGSIKN-AWEZNQCLSA-N 0 0 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CC(C)Oc1cccc([C@@H](O)c2ccsc2)c1 ZINC000086999315 167308562 /nfs/dbraw/zinc/30/85/62/167308562.db2.gz SECZLUCMTFRCMD-CQSZACIVSA-N 0 0 248.347 3.617 40 0 BHABRN Cc1ccc(N)c(Sc2ccccc2)c1 ZINC000087150568 384742960 /nfs/dbraw/zinc/74/29/60/384742960.db2.gz QQIWMXNJTRXLPV-UHFFFAOYSA-N 0 0 215.321 3.728 40 0 BHABRN S=c1[nH]cc(-c2ccc3ccccc3c2)[nH]1 ZINC000087200424 183313511 /nfs/dbraw/zinc/31/35/11/183313511.db2.gz ZLKMXVWMLWFTIR-UHFFFAOYSA-N 0 0 226.304 3.892 40 0 BHABRN CC(C)CC(=O)c1cccc(OC(C)C)c1 ZINC000087283947 386811849 /nfs/dbraw/zinc/81/18/49/386811849.db2.gz RUNXVEDWTQXGLF-UHFFFAOYSA-N 0 0 220.312 3.703 40 0 BHABRN Nc1cc(Cl)c(Cl)cc1OC1CCC1 ZINC000087418266 322899998 /nfs/dbraw/zinc/89/99/98/322899998.db2.gz FNUBQRCPQYCYAD-UHFFFAOYSA-N 0 0 232.110 3.507 40 0 BHABRN Cc1c(Cl)nccc1-c1ccccc1 ZINC000087492917 177551816 /nfs/dbraw/zinc/55/18/16/177551816.db2.gz PYXULNRLPKZQID-UHFFFAOYSA-N 0 0 203.672 3.710 40 0 BHABRN CCOC(=O)CC1CCC(c2ccccc2)CC1 ZINC000087493411 170198216 /nfs/dbraw/zinc/19/82/16/170198216.db2.gz NQKKTEIOHKETAT-UHFFFAOYSA-N 0 0 246.350 3.914 40 0 BHABRN Cc1ccc(-c2cc3c(ncnc3Cl)o2)cc1 ZINC000087493650 178321827 /nfs/dbraw/zinc/32/18/27/178321827.db2.gz PKIWTWMUJYJPKO-UHFFFAOYSA-N 0 0 244.681 3.852 40 0 BHABRN CC(C)CC(=O)c1ccccc1OC(C)C ZINC000087511321 384233881 /nfs/dbraw/zinc/23/38/81/384233881.db2.gz OAZITOSQULGXNQ-UHFFFAOYSA-N 0 0 220.312 3.703 40 0 BHABRN CCCCCC(=O)c1ccc(F)cc1C ZINC000087548158 386827786 /nfs/dbraw/zinc/82/77/86/386827786.db2.gz RPMZUZAURQYTHB-UHFFFAOYSA-N 0 0 208.276 3.897 40 0 BHABRN Cc1cc(C)c(NCC2CCC2)c(C)c1 ZINC000087584610 344235496 /nfs/dbraw/zinc/23/54/96/344235496.db2.gz UGURBPVIWZXWSV-UHFFFAOYSA-N 0 0 203.329 3.824 40 0 BHABRN COc1cccc2cc(-c3ccccc3)[nH]c21 ZINC000087818721 175306779 /nfs/dbraw/zinc/30/67/79/175306779.db2.gz CUBOZKCOLUQJMH-UHFFFAOYSA-N 0 0 223.275 3.844 40 0 BHABRN Clc1cc(-c2cccs2)nc(C2CC2)n1 ZINC000087908771 345939964 /nfs/dbraw/zinc/93/99/64/345939964.db2.gz UHDNCERVNPQWFN-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/38/62/40/525386240.db2.gz AMQRLSJBZGVSBI-UHFFFAOYSA-N 0 0 217.243 3.509 40 0 BHABRN Nc1cccc(Oc2ccc3c(c2)CCCC3)c1 ZINC000089064972 527520100 /nfs/dbraw/zinc/52/01/00/527520100.db2.gz LKFQRRITKMFNMZ-UHFFFAOYSA-N 0 0 239.318 3.940 40 0 BHABRN Cc1ccc2ccccc2c1[C@H](O)c1ccoc1 ZINC000089065056 383930830 /nfs/dbraw/zinc/93/08/30/383930830.db2.gz DHHKIMDYZMSZSJ-MRXNPFEDSA-N 0 0 238.286 3.823 40 0 BHABRN Cc1ccc2ccccc2c1[C@@H](O)c1ccoc1 ZINC000089065057 178971369 /nfs/dbraw/zinc/97/13/69/178971369.db2.gz DHHKIMDYZMSZSJ-INIZCTEOSA-N 0 0 238.286 3.823 40 0 BHABRN O=C(c1c[nH]c2cc(Cl)ccc12)C(F)(F)F ZINC000089065126 526581382 /nfs/dbraw/zinc/58/13/82/526581382.db2.gz DOCNWGLGOYLWRC-UHFFFAOYSA-N 0 0 247.603 3.566 40 0 BHABRN c1c[nH]c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000089202735 183379698 /nfs/dbraw/zinc/37/96/98/183379698.db2.gz DQUGKRSMAHPWBL-UHFFFAOYSA-N 0 0 220.275 3.744 40 0 BHABRN Fc1cccc(-c2cc3ccccc3[nH]2)c1 ZINC000089203402 385193152 /nfs/dbraw/zinc/19/31/52/385193152.db2.gz 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3.777 40 0 BHABRN CC(C)c1ccc2c(cnn2[C@@H]2CCCCO2)c1 ZINC000095098255 385483734 /nfs/dbraw/zinc/48/37/34/385483734.db2.gz JAAGAFWYLDIUFD-HNNXBMFYSA-N 0 0 244.338 3.859 40 0 BHABRN CC(C)c1ccc2c(cnn2[C@H]2CCCCO2)c1 ZINC000095098256 385489711 /nfs/dbraw/zinc/48/97/11/385489711.db2.gz JAAGAFWYLDIUFD-OAHLLOKOSA-N 0 0 244.338 3.859 40 0 BHABRN Cc1ccc(C(F)(F)C(F)(F)F)cc1C ZINC000095147677 387852522 /nfs/dbraw/zinc/85/25/22/387852522.db2.gz ZICLJLGSNJZNFD-UHFFFAOYSA-N 0 0 224.172 3.958 40 0 BHABRN Cc1cc(C)cc(C(F)(F)C(F)(F)F)c1 ZINC000095147679 387851721 /nfs/dbraw/zinc/85/17/21/387851721.db2.gz KMRQWYZBOXNDBA-UHFFFAOYSA-N 0 0 224.172 3.958 40 0 BHABRN CCSc1cccc(C(F)(F)F)c1 ZINC000095147693 387852461 /nfs/dbraw/zinc/85/24/61/387852461.db2.gz HIAGQDRTGGYWJW-UHFFFAOYSA-N 0 0 206.232 3.817 40 0 BHABRN FC(F)(F)CCSc1ccccc1 ZINC000095147697 385127819 /nfs/dbraw/zinc/12/78/19/385127819.db2.gz ZLBWLAAFXZPFKH-UHFFFAOYSA-N 0 0 206.232 3.731 40 0 BHABRN Fc1ccc(Br)c(F)c1C(F)F ZINC000095147713 387852499 /nfs/dbraw/zinc/85/24/99/387852499.db2.gz HFRAXUVXGSVZAR-UHFFFAOYSA-N 0 0 242.997 3.665 40 0 BHABRN COc1ccccc1SCCC(F)(F)F ZINC000095147721 175343380 /nfs/dbraw/zinc/34/33/80/175343380.db2.gz XNGYCKHFOSTFQO-UHFFFAOYSA-N 0 0 236.258 3.740 40 0 BHABRN CC(C)n1c2cc(Cl)ccc2[nH]c1=S ZINC000095532036 384379432 /nfs/dbraw/zinc/37/94/32/384379432.db2.gz LTFPFHVWQPCNNQ-UHFFFAOYSA-N 0 0 226.732 3.933 40 0 BHABRN CCCn1c(=S)[nH]c2ccc(Cl)cc21 ZINC000095532037 384379545 /nfs/dbraw/zinc/37/95/45/384379545.db2.gz NLQOKTNEBITQBK-UHFFFAOYSA-N 0 0 226.732 3.762 40 0 BHABRN COc1ccc2c(c1)nc(C)c(C)c2Cl ZINC000095534958 175204722 /nfs/dbraw/zinc/20/47/22/175204722.db2.gz LGPSGLNBCYBQGL-UHFFFAOYSA-N 0 0 221.687 3.514 40 0 BHABRN Cc1[nH]c2cc(Cl)ccc2c(=O)c1C(C)C ZINC000095534960 388775876 /nfs/dbraw/zinc/77/58/76/388775876.db2.gz SUYDJTQZGUVRPF-UHFFFAOYSA-N 0 0 235.714 3.613 40 0 BHABRN CCOC1(OCC)C[C@]2(C)CC[C@H]1C2(C)C ZINC000095618990 170320354 /nfs/dbraw/zinc/32/03/54/170320354.db2.gz 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BHABRN OCC1(n2ccc3c2cccc3Cl)CCCC1 ZINC000095644200 368338852 /nfs/dbraw/zinc/33/88/52/368338852.db2.gz NUKKHMDWLDPDFY-UHFFFAOYSA-N 0 0 249.741 3.556 40 0 BHABRN OCC1(n2ccc3ccc(Cl)cc32)CCCC1 ZINC000095644201 368338099 /nfs/dbraw/zinc/33/80/99/368338099.db2.gz ODXWXPSCHPHPFJ-UHFFFAOYSA-N 0 0 249.741 3.556 40 0 BHABRN Cc1ccc(-c2ccc(CCO)cc2)cc1C ZINC000095727232 178324434 /nfs/dbraw/zinc/32/44/34/178324434.db2.gz OKQVLSZUNJAEEH-UHFFFAOYSA-N 0 0 226.319 3.505 40 0 BHABRN Cc1ccc(-c2cccc(CCO)c2)cc1C ZINC000095727236 178326380 /nfs/dbraw/zinc/32/63/80/178326380.db2.gz ORCNGKJPLHBLTM-UHFFFAOYSA-N 0 0 226.319 3.505 40 0 BHABRN CCCCc1ccc([C@H](O)c2ccccn2)cc1 ZINC000095727346 169024383 /nfs/dbraw/zinc/02/43/83/169024383.db2.gz KQRGOJONGDLTOO-INIZCTEOSA-N 0 0 241.334 3.506 40 0 BHABRN CCCCc1ccc([C@@H](O)c2ccccn2)cc1 ZINC000095727349 169023351 /nfs/dbraw/zinc/02/33/51/169023351.db2.gz KQRGOJONGDLTOO-MRXNPFEDSA-N 0 0 241.334 3.506 40 0 BHABRN Cc1ccc([C@H](O)c2ccc(Cl)cc2C)o1 ZINC000095727568 385590784 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387004608 /nfs/dbraw/zinc/00/46/08/387004608.db2.gz RSTFCNPHZFLVPE-HNNXBMFYSA-N 0 0 220.356 3.893 40 0 BHABRN CCC[C@@](C)(O)c1ccc(CC(C)C)cc1 ZINC000095739029 387004159 /nfs/dbraw/zinc/00/41/59/387004159.db2.gz RSTFCNPHZFLVPE-OAHLLOKOSA-N 0 0 220.356 3.893 40 0 BHABRN CCC(O)(CC)c1cccc(C(C)C)c1 ZINC000095739031 385751351 /nfs/dbraw/zinc/75/13/51/385751351.db2.gz VWOGWIHYEKBOCV-UHFFFAOYSA-N 0 0 206.329 3.818 40 0 BHABRN CCC(O)(CC)c1ccc(CC(C)C)cc1 ZINC000095739032 168426240 /nfs/dbraw/zinc/42/62/40/168426240.db2.gz JYPYGDTTXRBHHY-UHFFFAOYSA-N 0 0 220.356 3.893 40 0 BHABRN CC[C@](C)(O)c1cc(Cl)cc(Cl)c1 ZINC000095739044 386544175 /nfs/dbraw/zinc/54/41/75/386544175.db2.gz KANKPUSYZNUYLL-JTQLQIEISA-N 0 0 219.111 3.611 40 0 BHABRN CC[C@@](C)(O)c1cc(Cl)cc(Cl)c1 ZINC000095739045 171187643 /nfs/dbraw/zinc/18/76/43/171187643.db2.gz KANKPUSYZNUYLL-SNVBAGLBSA-N 0 0 219.111 3.611 40 0 BHABRN CC[C@](C)(O)c1ccc(F)c2ccccc21 ZINC000095739054 171705266 /nfs/dbraw/zinc/70/52/66/171705266.db2.gz 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BHABRN CCc1cc([C@@](C)(O)CC)ccc1Cl ZINC000095739092 386543621 /nfs/dbraw/zinc/54/36/21/386543621.db2.gz VLSYKNGJXNILNA-LBPRGKRZSA-N 0 0 212.720 3.520 40 0 BHABRN CC(C)[C@](C)(O)c1cc(Cl)cc(Cl)c1 ZINC000095739233 386544242 /nfs/dbraw/zinc/54/42/42/386544242.db2.gz TXNMQTIYMNASDY-NSHDSACASA-N 0 0 233.138 3.857 40 0 BHABRN CC(C)[C@@](C)(O)c1cc(Cl)cc(Cl)c1 ZINC000095739235 386544529 /nfs/dbraw/zinc/54/45/29/386544529.db2.gz TXNMQTIYMNASDY-LLVKDONJSA-N 0 0 233.138 3.857 40 0 BHABRN CCSc1ccc([C@](C)(O)C(C)C)cc1 ZINC000095739243 385791881 /nfs/dbraw/zinc/79/18/81/385791881.db2.gz WRCNPZNWMVGFTG-CYBMUJFWSA-N 0 0 224.369 3.662 40 0 BHABRN CCSc1ccc([C@@](C)(O)C(C)C)cc1 ZINC000095739245 385793177 /nfs/dbraw/zinc/79/31/77/385793177.db2.gz WRCNPZNWMVGFTG-ZDUSSCGKSA-N 0 0 224.369 3.662 40 0 BHABRN CC(C)[C@](C)(O)c1ccc(F)c2ccccc21 ZINC000095739248 387005046 /nfs/dbraw/zinc/00/50/46/387005046.db2.gz VJFXHXVBVAESRC-HNNXBMFYSA-N 0 0 232.298 3.842 40 0 BHABRN CC(C)[C@@](C)(O)c1ccc(F)c2ccccc21 ZINC000095739249 187975482 /nfs/dbraw/zinc/97/54/82/187975482.db2.gz VJFXHXVBVAESRC-OAHLLOKOSA-N 0 0 232.298 3.842 40 0 BHABRN COc1ccc2cc([C@@](C)(O)C(C)C)ccc2c1 ZINC000095739270 175225019 /nfs/dbraw/zinc/22/50/19/175225019.db2.gz COJZEZPUSAFEMP-INIZCTEOSA-N 0 0 244.334 3.712 40 0 BHABRN COc1ccc2cc([C@](C)(O)C(C)C)ccc2c1 ZINC000095739271 175225834 /nfs/dbraw/zinc/22/58/34/175225834.db2.gz COJZEZPUSAFEMP-MRXNPFEDSA-N 0 0 244.334 3.712 40 0 BHABRN CC(C)[C@](C)(O)c1cccc(C(C)(C)C)c1 ZINC000095739274 385791644 /nfs/dbraw/zinc/79/16/44/385791644.db2.gz POKGPZILQYJAIH-HNNXBMFYSA-N 0 0 220.356 3.848 40 0 BHABRN CC(C)[C@@](C)(O)c1cccc(C(C)(C)C)c1 ZINC000095739275 188365496 /nfs/dbraw/zinc/36/54/96/188365496.db2.gz POKGPZILQYJAIH-OAHLLOKOSA-N 0 0 220.356 3.848 40 0 BHABRN Cc1ccc(Cl)cc1[C@](C)(O)C(C)C ZINC000095739276 386543972 /nfs/dbraw/zinc/54/39/72/386543972.db2.gz ZMRULXVPVWFARX-GFCCVEGCSA-N 0 0 212.720 3.512 40 0 BHABRN Cc1ccc(Cl)cc1[C@@](C)(O)C(C)C ZINC000095739277 178663786 /nfs/dbraw/zinc/66/37/86/178663786.db2.gz ZMRULXVPVWFARX-LBPRGKRZSA-N 0 0 212.720 3.512 40 0 BHABRN Cc1ccc([C@](C)(O)C(C)C)cc1Cl ZINC000095739278 386542988 /nfs/dbraw/zinc/54/29/88/386542988.db2.gz WECWXCKUDIRUEE-GFCCVEGCSA-N 0 0 212.720 3.512 40 0 BHABRN Cc1ccc([C@@](C)(O)C(C)C)cc1Cl ZINC000095739279 386543712 /nfs/dbraw/zinc/54/37/12/386543712.db2.gz WECWXCKUDIRUEE-LBPRGKRZSA-N 0 0 212.720 3.512 40 0 BHABRN Cc1cc([C@](C)(O)C(C)C)cc(C)c1Cl ZINC000095739280 178269338 /nfs/dbraw/zinc/26/93/38/178269338.db2.gz OOHVAKKIFXNVDM-CYBMUJFWSA-N 0 0 226.747 3.820 40 0 BHABRN Cc1cc([C@@](C)(O)C(C)C)cc(C)c1Cl ZINC000095739281 178243253 /nfs/dbraw/zinc/24/32/53/178243253.db2.gz OOHVAKKIFXNVDM-ZDUSSCGKSA-N 0 0 226.747 3.820 40 0 BHABRN CCc1cc([C@](C)(O)C(C)C)ccc1Cl ZINC000095739290 387004200 /nfs/dbraw/zinc/00/42/00/387004200.db2.gz CDADUWYRVQCISU-CYBMUJFWSA-N 0 0 226.747 3.766 40 0 BHABRN CCc1cc([C@@](C)(O)C(C)C)ccc1Cl ZINC000095739291 387004522 /nfs/dbraw/zinc/00/45/22/387004522.db2.gz CDADUWYRVQCISU-ZDUSSCGKSA-N 0 0 226.747 3.766 40 0 BHABRN Cc1c(Cl)cccc1[C@](C)(O)C(C)C ZINC000095739294 386543123 /nfs/dbraw/zinc/54/31/23/386543123.db2.gz UOONBJWDGAQMJT-GFCCVEGCSA-N 0 0 212.720 3.512 40 0 BHABRN Cc1c(Cl)cccc1[C@@](C)(O)C(C)C ZINC000095739295 386544257 /nfs/dbraw/zinc/54/42/57/386544257.db2.gz UOONBJWDGAQMJT-LBPRGKRZSA-N 0 0 212.720 3.512 40 0 BHABRN Cc1cc(Cl)ccc1[C@](C)(O)C(C)C ZINC000095739298 178070327 /nfs/dbraw/zinc/07/03/27/178070327.db2.gz FIOZGALAWSYSFH-GFCCVEGCSA-N 0 0 212.720 3.512 40 0 BHABRN Cc1cc(Cl)ccc1[C@@](C)(O)C(C)C ZINC000095739299 178069668 /nfs/dbraw/zinc/06/96/68/178069668.db2.gz FIOZGALAWSYSFH-LBPRGKRZSA-N 0 0 212.720 3.512 40 0 BHABRN Cc1cc([C@](C)(O)C(C)C)ccc1Cl ZINC000095739300 178267909 /nfs/dbraw/zinc/26/79/09/178267909.db2.gz UEFQORZCRWCBNP-GFCCVEGCSA-N 0 0 212.720 3.512 40 0 BHABRN Cc1cc([C@@](C)(O)C(C)C)ccc1Cl ZINC000095739301 178243368 /nfs/dbraw/zinc/24/33/68/178243368.db2.gz UEFQORZCRWCBNP-LBPRGKRZSA-N 0 0 212.720 3.512 40 0 BHABRN CCC[C@](C)(O)c1c(C)cc(C)cc1C ZINC000095739310 385882415 /nfs/dbraw/zinc/88/24/15/385882415.db2.gz BAHYHMGSFKINHC-AWEZNQCLSA-N 0 0 206.329 3.619 40 0 BHABRN CCC[C@@](C)(O)c1c(C)cc(C)cc1C ZINC000095739311 385791751 /nfs/dbraw/zinc/79/17/51/385791751.db2.gz BAHYHMGSFKINHC-CQSZACIVSA-N 0 0 206.329 3.619 40 0 BHABRN CCC[C@](C)(O)c1ccc(SCC)cc1 ZINC000095739312 385791086 /nfs/dbraw/zinc/79/10/86/385791086.db2.gz LEROSDKIOZEQAX-ZDUSSCGKSA-N 0 0 224.369 3.806 40 0 BHABRN CCC[C@@](C)(O)c1ccc(SCC)cc1 ZINC000095739313 385795495 /nfs/dbraw/zinc/79/54/95/385795495.db2.gz LEROSDKIOZEQAX-CYBMUJFWSA-N 0 0 224.369 3.806 40 0 BHABRN CCC[C@](C)(O)c1ccc(F)c2ccccc21 ZINC000095739317 384391023 /nfs/dbraw/zinc/39/10/23/384391023.db2.gz OXACSAVNAQGQDT-HNNXBMFYSA-N 0 0 232.298 3.987 40 0 BHABRN CCC[C@@](C)(O)c1ccc(F)c2ccccc21 ZINC000095739318 387005226 /nfs/dbraw/zinc/00/52/26/387005226.db2.gz OXACSAVNAQGQDT-OAHLLOKOSA-N 0 0 232.298 3.987 40 0 BHABRN CCC[C@](C)(O)c1ccc(N(CC)CC)cc1 ZINC000095739327 387005306 /nfs/dbraw/zinc/00/53/06/387005306.db2.gz ZXGRPICXYCUPNH-HNNXBMFYSA-N 0 0 235.371 3.540 40 0 BHABRN CCC[C@@](C)(O)c1ccc(N(CC)CC)cc1 ZINC000095739328 387005403 /nfs/dbraw/zinc/00/54/03/387005403.db2.gz ZXGRPICXYCUPNH-OAHLLOKOSA-N 0 0 235.371 3.540 40 0 BHABRN CCC[C@](C)(O)c1ccc2cc(OC)ccc2c1 ZINC000095739334 385795223 /nfs/dbraw/zinc/79/52/23/385795223.db2.gz OEIVZPHARQEIQV-INIZCTEOSA-N 0 0 244.334 3.856 40 0 BHABRN CCC[C@@](C)(O)c1ccc2cc(OC)ccc2c1 ZINC000095739336 385794947 /nfs/dbraw/zinc/79/49/47/385794947.db2.gz OEIVZPHARQEIQV-MRXNPFEDSA-N 0 0 244.334 3.856 40 0 BHABRN CCC[C@](C)(O)c1cccc(C(C)(C)C)c1 ZINC000095739340 387004477 /nfs/dbraw/zinc/00/44/77/387004477.db2.gz ZSWOINDTFTTXSM-HNNXBMFYSA-N 0 0 220.356 3.992 40 0 BHABRN CCC[C@@](C)(O)c1cccc(C(C)(C)C)c1 ZINC000095739341 387004979 /nfs/dbraw/zinc/00/49/79/387004979.db2.gz ZSWOINDTFTTXSM-OAHLLOKOSA-N 0 0 220.356 3.992 40 0 BHABRN CCC[C@](C)(O)c1cc(Cl)ccc1C ZINC000095739342 386544231 /nfs/dbraw/zinc/54/42/31/386544231.db2.gz IAVGRDKKMJOLNH-LBPRGKRZSA-N 0 0 212.720 3.656 40 0 BHABRN CCC[C@@](C)(O)c1cc(Cl)ccc1C ZINC000095739343 386544403 /nfs/dbraw/zinc/54/44/03/386544403.db2.gz IAVGRDKKMJOLNH-GFCCVEGCSA-N 0 0 212.720 3.656 40 0 BHABRN CCC[C@](C)(O)c1ccc(C)c(Cl)c1 ZINC000095739344 386544208 /nfs/dbraw/zinc/54/42/08/386544208.db2.gz MTCVXPZGMXRVLR-LBPRGKRZSA-N 0 0 212.720 3.656 40 0 BHABRN CCC[C@@](C)(O)c1ccc(C)c(Cl)c1 ZINC000095739345 386543853 /nfs/dbraw/zinc/54/38/53/386543853.db2.gz MTCVXPZGMXRVLR-GFCCVEGCSA-N 0 0 212.720 3.656 40 0 BHABRN CCC[C@](C)(O)c1cc(C)c(Cl)c(C)c1 ZINC000095739346 385795424 /nfs/dbraw/zinc/79/54/24/385795424.db2.gz AWWKQHXMUZBWRM-ZDUSSCGKSA-N 0 0 226.747 3.964 40 0 BHABRN CCC[C@@](C)(O)c1cc(C)c(Cl)c(C)c1 ZINC000095739347 385795641 /nfs/dbraw/zinc/79/56/41/385795641.db2.gz AWWKQHXMUZBWRM-CYBMUJFWSA-N 0 0 226.747 3.964 40 0 BHABRN CCC[C@](C)(O)c1ccc(Cl)c(CC)c1 ZINC000095739357 385794691 /nfs/dbraw/zinc/79/46/91/385794691.db2.gz HXSZZDIZYHPKPW-ZDUSSCGKSA-N 0 0 226.747 3.910 40 0 BHABRN CCC[C@@](C)(O)c1ccc(Cl)c(CC)c1 ZINC000095739359 169458774 /nfs/dbraw/zinc/45/87/74/169458774.db2.gz HXSZZDIZYHPKPW-CYBMUJFWSA-N 0 0 226.747 3.910 40 0 BHABRN CCC[C@](C)(O)c1cccc(Cl)c1C ZINC000095739362 386543920 /nfs/dbraw/zinc/54/39/20/386543920.db2.gz MBGYPGCDYYZAKL-LBPRGKRZSA-N 0 0 212.720 3.656 40 0 BHABRN CCC[C@@](C)(O)c1cccc(Cl)c1C ZINC000095739363 386544359 /nfs/dbraw/zinc/54/43/59/386544359.db2.gz MBGYPGCDYYZAKL-GFCCVEGCSA-N 0 0 212.720 3.656 40 0 BHABRN CCC[C@](C)(O)c1ccc(Cl)cc1C ZINC000095739368 169555567 /nfs/dbraw/zinc/55/55/67/169555567.db2.gz HOMGIUGQNJGVKP-LBPRGKRZSA-N 0 0 212.720 3.656 40 0 BHABRN CCC[C@@](C)(O)c1ccc(Cl)cc1C ZINC000095739370 169458865 /nfs/dbraw/zinc/45/88/65/169458865.db2.gz HOMGIUGQNJGVKP-GFCCVEGCSA-N 0 0 212.720 3.656 40 0 BHABRN CCC[C@](C)(O)c1ccc(Cl)c(C)c1 ZINC000095739371 169554978 /nfs/dbraw/zinc/55/49/78/169554978.db2.gz PCSWJBSXDBGTHK-LBPRGKRZSA-N 0 0 212.720 3.656 40 0 BHABRN CCC[C@@](C)(O)c1ccc(Cl)c(C)c1 ZINC000095739373 386543932 /nfs/dbraw/zinc/54/39/32/386543932.db2.gz PCSWJBSXDBGTHK-GFCCVEGCSA-N 0 0 212.720 3.656 40 0 BHABRN CCC(O)(CC)c1c(C)cc(C)cc1C ZINC000095739382 388785821 /nfs/dbraw/zinc/78/58/21/388785821.db2.gz RITDHZKPPGNOOC-UHFFFAOYSA-N 0 0 206.329 3.619 40 0 BHABRN CCSc1ccc(C(O)(CC)CC)cc1 ZINC000095739384 388784821 /nfs/dbraw/zinc/78/48/21/388784821.db2.gz OYQTUUJNYZRHRD-UHFFFAOYSA-N 0 0 224.369 3.806 40 0 BHABRN CCC(O)(CC)c1ccc(F)c2ccccc21 ZINC000095739387 168425591 /nfs/dbraw/zinc/42/55/91/168425591.db2.gz OUTOYYNHEWZASD-UHFFFAOYSA-N 0 0 232.298 3.987 40 0 BHABRN CCN(CC)c1ccc(C(O)(CC)CC)cc1 ZINC000095739395 259324717 /nfs/dbraw/zinc/32/47/17/259324717.db2.gz KKDQDGRQCYKDHQ-UHFFFAOYSA-N 0 0 235.371 3.540 40 0 BHABRN CCC(O)(CC)c1ccc2cc(OC)ccc2c1 ZINC000095739399 168426603 /nfs/dbraw/zinc/42/66/03/168426603.db2.gz FFLALSFNFMRCCT-UHFFFAOYSA-N 0 0 244.334 3.856 40 0 BHABRN CCC(O)(CC)c1cccc(C(C)(C)C)c1 ZINC000095739401 388785514 /nfs/dbraw/zinc/78/55/14/388785514.db2.gz QFCLYXXADVSSTM-UHFFFAOYSA-N 0 0 220.356 3.992 40 0 BHABRN CCC(O)(CC)c1cc(Cl)ccc1C ZINC000095739403 386543555 /nfs/dbraw/zinc/54/35/55/386543555.db2.gz YDSFQKCZCNXVJU-UHFFFAOYSA-N 0 0 212.720 3.656 40 0 BHABRN CCC(O)(CC)c1ccc(C)c(Cl)c1 ZINC000095739404 386544244 /nfs/dbraw/zinc/54/42/44/386544244.db2.gz RRTKRJMOBCPDQD-UHFFFAOYSA-N 0 0 212.720 3.656 40 0 BHABRN CCC(O)(CC)c1cc(C)c(Cl)c(C)c1 ZINC000095739405 517542632 /nfs/dbraw/zinc/54/26/32/517542632.db2.gz IRYTUXTVWBFNSV-UHFFFAOYSA-N 0 0 226.747 3.964 40 0 BHABRN CCc1cc(C(O)(CC)CC)ccc1Cl ZINC000095739412 388785212 /nfs/dbraw/zinc/78/52/12/388785212.db2.gz POXVEKLQECSOPZ-UHFFFAOYSA-N 0 0 226.747 3.910 40 0 BHABRN CCC(O)(CC)c1ccc(Cl)cc1C ZINC000095739416 386544047 /nfs/dbraw/zinc/54/40/47/386544047.db2.gz CYJFOLCKBNVUCY-UHFFFAOYSA-N 0 0 212.720 3.656 40 0 BHABRN CCC(O)(CC)c1ccc(Cl)c(C)c1 ZINC000095739417 386544493 /nfs/dbraw/zinc/54/44/93/386544493.db2.gz DNCROJFUNVJNLY-UHFFFAOYSA-N 0 0 212.720 3.656 40 0 BHABRN CCCCCSc1ccc(CCO)cc1 ZINC000095739421 388784246 /nfs/dbraw/zinc/78/42/46/388784246.db2.gz XREDVERSKXEIBW-UHFFFAOYSA-N 0 0 224.369 3.504 40 0 BHABRN CCCCCSc1cccc(CCO)c1 ZINC000095739422 388783765 /nfs/dbraw/zinc/78/37/65/388783765.db2.gz SUIRWCDBIRGXEL-UHFFFAOYSA-N 0 0 224.369 3.504 40 0 BHABRN CCCCCSc1ccccc1CCO ZINC000095739425 384453211 /nfs/dbraw/zinc/45/32/11/384453211.db2.gz KGZPNURCHJDXBG-UHFFFAOYSA-N 0 0 224.369 3.504 40 0 BHABRN CCCCCSc1ccc(C=O)cc1 ZINC000095739450 388784260 /nfs/dbraw/zinc/78/42/60/388784260.db2.gz WNJACFHTBKBQAL-UHFFFAOYSA-N 0 0 208.326 3.781 40 0 BHABRN CCCCCSc1ccccc1C=O ZINC000095739451 387004362 /nfs/dbraw/zinc/00/43/62/387004362.db2.gz YFDVTCFOGBKSDA-UHFFFAOYSA-N 0 0 208.326 3.781 40 0 BHABRN FC(F)(F)Oc1ccc(-c2ccccn2)cc1 ZINC000095739474 387004376 /nfs/dbraw/zinc/00/43/76/387004376.db2.gz HOPDVOIYDNZVFL-UHFFFAOYSA-N 0 0 239.196 3.647 40 0 BHABRN FC(F)(F)Oc1cccc(-c2ccccn2)c1 ZINC000095739475 180887603 /nfs/dbraw/zinc/88/76/03/180887603.db2.gz CJPZKQDWDZXTNB-UHFFFAOYSA-N 0 0 239.196 3.647 40 0 BHABRN CCCC[N@H+](CC)Cc1ccc([S-])cc1 ZINC000095739505 387005280 /nfs/dbraw/zinc/00/52/80/387005280.db2.gz GARWFQNVKYBXBE-UHFFFAOYSA-N 0 0 223.385 3.597 40 0 BHABRN CCCC[N@H+](CC)Cc1cccc([S-])c1 ZINC000095739506 385794126 /nfs/dbraw/zinc/79/41/26/385794126.db2.gz KRGCKDDIJFPJGX-UHFFFAOYSA-N 0 0 223.385 3.597 40 0 BHABRN CCCC[N@H+](CC)Cc1ccccc1[S-] ZINC000095739507 385794583 /nfs/dbraw/zinc/79/45/83/385794583.db2.gz KYLMRVSFALPUFI-UHFFFAOYSA-N 0 0 223.385 3.597 40 0 BHABRN CCOc1ccc2ccccc2c1SC ZINC000095739532 387005032 /nfs/dbraw/zinc/00/50/32/387005032.db2.gz RYICRANVWOPMCT-UHFFFAOYSA-N 0 0 218.321 3.960 40 0 BHABRN CCCCCOc1cc([C@@H](C)O)cc(F)c1F ZINC000095739563 387005340 /nfs/dbraw/zinc/00/53/40/387005340.db2.gz WQYQCOQZSPAGEF-SECBINFHSA-N 0 0 244.281 3.587 40 0 BHABRN CCCCCOc1cc([C@H](C)O)cc(F)c1F ZINC000095739565 387004890 /nfs/dbraw/zinc/00/48/90/387004890.db2.gz WQYQCOQZSPAGEF-VIFPVBQESA-N 0 0 244.281 3.587 40 0 BHABRN CCCCCOc1c(F)cc([C@@H](C)O)cc1F ZINC000095739582 387004643 /nfs/dbraw/zinc/00/46/43/387004643.db2.gz XAZJVSDUHWKHRO-SECBINFHSA-N 0 0 244.281 3.587 40 0 BHABRN CCCCCOc1c(F)cc([C@H](C)O)cc1F ZINC000095739584 387004953 /nfs/dbraw/zinc/00/49/53/387004953.db2.gz XAZJVSDUHWKHRO-VIFPVBQESA-N 0 0 244.281 3.587 40 0 BHABRN CCCCCOc1c(F)cc(F)cc1[C@@H](C)O ZINC000095739594 387004871 /nfs/dbraw/zinc/00/48/71/387004871.db2.gz JARYLANPVPAZBC-SECBINFHSA-N 0 0 244.281 3.587 40 0 BHABRN CCCCCOc1c(F)cc(F)cc1[C@H](C)O ZINC000095739595 387004961 /nfs/dbraw/zinc/00/49/61/387004961.db2.gz JARYLANPVPAZBC-VIFPVBQESA-N 0 0 244.281 3.587 40 0 BHABRN CCCCOc1cc(C)c([C@@H](C)O)c(C)c1 ZINC000095739598 355769942 /nfs/dbraw/zinc/76/99/42/355769942.db2.gz LVMFAYHBBZAOMB-GFCCVEGCSA-N 0 0 222.328 3.536 40 0 BHABRN CCCCOc1cc(C)c([C@H](C)O)c(C)c1 ZINC000095739599 355770541 /nfs/dbraw/zinc/77/05/41/355770541.db2.gz LVMFAYHBBZAOMB-LBPRGKRZSA-N 0 0 222.328 3.536 40 0 BHABRN CCCCCOc1ccc([C@@H](C)O)cc1C ZINC000095739602 384390227 /nfs/dbraw/zinc/39/02/27/384390227.db2.gz RJGUWXAYIFZUDG-GFCCVEGCSA-N 0 0 222.328 3.617 40 0 BHABRN CCCCCOc1ccc([C@H](C)O)cc1C ZINC000095739603 384390877 /nfs/dbraw/zinc/39/08/77/384390877.db2.gz RJGUWXAYIFZUDG-LBPRGKRZSA-N 0 0 222.328 3.617 40 0 BHABRN CC(C)CCSc1ccccc1[C@@H](C)O ZINC000095739656 166889221 /nfs/dbraw/zinc/88/92/21/166889221.db2.gz LTXLVWGJRZIIKM-LLVKDONJSA-N 0 0 224.369 3.878 40 0 BHABRN CC(C)CCSc1ccccc1[C@H](C)O ZINC000095739657 384581983 /nfs/dbraw/zinc/58/19/83/384581983.db2.gz LTXLVWGJRZIIKM-NSHDSACASA-N 0 0 224.369 3.878 40 0 BHABRN CCCCCOc1ccc([C@@H](C)O)cc1Cl ZINC000095739658 384391301 /nfs/dbraw/zinc/39/13/01/384391301.db2.gz FRGPYRMMHZNXLS-SNVBAGLBSA-N 0 0 242.746 3.962 40 0 BHABRN CCCCCOc1ccc([C@H](C)O)cc1Cl ZINC000095739659 384389992 /nfs/dbraw/zinc/38/99/92/384389992.db2.gz FRGPYRMMHZNXLS-JTQLQIEISA-N 0 0 242.746 3.962 40 0 BHABRN CCCCOc1c(C)cc([C@@H](C)O)cc1C ZINC000095739660 347154773 /nfs/dbraw/zinc/15/47/73/347154773.db2.gz OUCVDIGIVOXAML-GFCCVEGCSA-N 0 0 222.328 3.536 40 0 BHABRN CCCCOc1c(C)cc([C@H](C)O)cc1C ZINC000095739661 168913994 /nfs/dbraw/zinc/91/39/94/168913994.db2.gz OUCVDIGIVOXAML-LBPRGKRZSA-N 0 0 222.328 3.536 40 0 BHABRN Cc1cc([C@@H](C)O)cc(C)c1OCCC(C)C ZINC000095739662 178234171 /nfs/dbraw/zinc/23/41/71/178234171.db2.gz YXYSOIBFPHKCPJ-CYBMUJFWSA-N 0 0 236.355 3.782 40 0 BHABRN Cc1cc([C@H](C)O)cc(C)c1OCCC(C)C ZINC000095739663 178260359 /nfs/dbraw/zinc/26/03/59/178260359.db2.gz YXYSOIBFPHKCPJ-ZDUSSCGKSA-N 0 0 236.355 3.782 40 0 BHABRN CCCCCOc1c(C)cc([C@@H](C)O)cc1C ZINC000095739666 387004529 /nfs/dbraw/zinc/00/45/29/387004529.db2.gz SDEVXENUMBPQTH-CYBMUJFWSA-N 0 0 236.355 3.926 40 0 BHABRN CCCCCOc1c(C)cc([C@H](C)O)cc1C ZINC000095739667 387004729 /nfs/dbraw/zinc/00/47/29/387004729.db2.gz SDEVXENUMBPQTH-ZDUSSCGKSA-N 0 0 236.355 3.926 40 0 BHABRN CC(=O)c1ccc(OCCC(C)C)cc1C ZINC000095739702 188365189 /nfs/dbraw/zinc/36/51/89/188365189.db2.gz DUKJLZWKCSBPFV-UHFFFAOYSA-N 0 0 220.312 3.623 40 0 BHABRN CCCCCOc1ccc(C(C)=O)c(C)c1 ZINC000095739703 387005329 /nfs/dbraw/zinc/00/53/29/387005329.db2.gz UPBPLVCNUSDRLH-UHFFFAOYSA-N 0 0 220.312 3.767 40 0 BHABRN CCCCCCSc1ccc(CO)cc1 ZINC000095739759 388785983 /nfs/dbraw/zinc/78/59/83/388785983.db2.gz YXNTZMMURCNLTB-UHFFFAOYSA-N 0 0 224.369 3.851 40 0 BHABRN CCCCCCSc1ccccc1CO ZINC000095739760 384453425 /nfs/dbraw/zinc/45/34/25/384453425.db2.gz RPZMCXPQZUNCPC-UHFFFAOYSA-N 0 0 224.369 3.851 40 0 BHABRN CC(C)C(=O)c1cccc(C(C)(C)C)c1 ZINC000095739852 388785403 /nfs/dbraw/zinc/78/54/03/388785403.db2.gz ZDGYAGHIKQTMPC-UHFFFAOYSA-N 0 0 204.313 3.823 40 0 BHABRN Cc1cc(C(=O)C(C)C)cc(C)c1Cl ZINC000095739853 386542893 /nfs/dbraw/zinc/54/28/93/386542893.db2.gz VGPSXHHSNBFVHE-UHFFFAOYSA-N 0 0 210.704 3.796 40 0 BHABRN CCc1cc(C(=O)C(C)C)ccc1Cl ZINC000095739861 386544161 /nfs/dbraw/zinc/54/41/61/386544161.db2.gz ANXSNSXRBWJLHJ-UHFFFAOYSA-N 0 0 210.704 3.741 40 0 BHABRN CCCCOc1ccc(F)cc1C(=O)CC ZINC000095739913 343561789 /nfs/dbraw/zinc/56/17/89/343561789.db2.gz OBPBPDIMIZVYRV-UHFFFAOYSA-N 0 0 224.275 3.597 40 0 BHABRN CCC(=O)c1cc(F)ccc1OCCC(C)C ZINC000095739914 168254398 /nfs/dbraw/zinc/25/43/98/168254398.db2.gz KVFLAULFGKMNPY-UHFFFAOYSA-N 0 0 238.302 3.843 40 0 BHABRN CCCCCOc1ccc(F)cc1C(=O)CC ZINC000095739916 168731468 /nfs/dbraw/zinc/73/14/68/168731468.db2.gz MSJVXIWIWJCHBE-UHFFFAOYSA-N 0 0 238.302 3.987 40 0 BHABRN CCCCOc1cc(C(=O)CC)cc(F)c1F ZINC000095739918 343561690 /nfs/dbraw/zinc/56/16/90/343561690.db2.gz QMHUNLXPBGXVOA-UHFFFAOYSA-N 0 0 242.265 3.736 40 0 BHABRN CCC(=O)c1cc(F)c(F)c(OCC(C)C)c1 ZINC000095739920 168255199 /nfs/dbraw/zinc/25/51/99/168255199.db2.gz PQAANWAVILGBFZ-UHFFFAOYSA-N 0 0 242.265 3.592 40 0 BHABRN CCCCOc1c(F)cc(C(=O)CC)cc1F ZINC000095739928 343561930 /nfs/dbraw/zinc/56/19/30/343561930.db2.gz RWOIGYDQZZYPLQ-UHFFFAOYSA-N 0 0 242.265 3.736 40 0 BHABRN CCC(=O)c1cc(F)c(OCC(C)C)c(F)c1 ZINC000095739930 168254971 /nfs/dbraw/zinc/25/49/71/168254971.db2.gz ZLFPLLYLMQCFKP-UHFFFAOYSA-N 0 0 242.265 3.592 40 0 BHABRN CCCCOc1c(F)cc(F)cc1C(=O)CC ZINC000095739936 343561808 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CC(C)(C)c1ccc(C(=O)C(F)(F)Cl)cc1 ZINC000095916157 385697692 /nfs/dbraw/zinc/69/76/92/385697692.db2.gz ZJZDVTLYKROLFL-UHFFFAOYSA-N 0 0 246.684 3.998 40 0 BHABRN CCCCC(=O)c1cc(F)cc(Cl)c1 ZINC000095916237 398159107 /nfs/dbraw/zinc/15/91/07/398159107.db2.gz NOJFKALDDGFRNL-UHFFFAOYSA-N 0 0 214.667 3.852 40 0 BHABRN CC(C)CC(=O)c1cc(F)cc(Cl)c1 ZINC000095916242 166774677 /nfs/dbraw/zinc/77/46/77/166774677.db2.gz BMCQUSOJMYEFIM-UHFFFAOYSA-N 0 0 214.667 3.708 40 0 BHABRN CCCCC(=O)c1ccc(Cl)c(F)c1 ZINC000095916292 398159604 /nfs/dbraw/zinc/15/96/04/398159604.db2.gz DSKQKVYUSOJQKS-UHFFFAOYSA-N 0 0 214.667 3.852 40 0 BHABRN CC(C)CC(=O)c1ccc(Cl)c(F)c1 ZINC000095916295 384407537 /nfs/dbraw/zinc/40/75/37/384407537.db2.gz HNWIZXXGJUVRRX-UHFFFAOYSA-N 0 0 214.667 3.708 40 0 BHABRN Cc1c(Cl)cccc1C(=O)C(F)(F)Cl ZINC000095916377 386560588 /nfs/dbraw/zinc/56/05/88/386560588.db2.gz NJGBYTOHPJAXNL-UHFFFAOYSA-N 0 0 239.048 3.663 40 0 BHABRN Cc1ccc(C(=O)C(F)(F)Cl)cc1Cl ZINC000095916421 178371726 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386560305 /nfs/dbraw/zinc/56/03/05/386560305.db2.gz LHZAPTUEBZCQKU-UHFFFAOYSA-N 0 0 232.657 3.626 40 0 BHABRN CCCCC(F)(F)C(F)(F)Br ZINC000095917613 384407834 /nfs/dbraw/zinc/40/78/34/384407834.db2.gz GNIKPUAUWMVBMO-UHFFFAOYSA-N 0 0 237.034 3.800 40 0 BHABRN CC(C)Oc1ccc(C(F)(F)F)c(F)c1 ZINC000095917671 167291662 /nfs/dbraw/zinc/29/16/62/167291662.db2.gz YJBSCSISPUWZIT-UHFFFAOYSA-N 0 0 222.181 3.632 40 0 BHABRN FC(F)(F)c1cccc2ccnc(Cl)c21 ZINC000095917733 384407913 /nfs/dbraw/zinc/40/79/13/384407913.db2.gz UGZMKOLPFSYKLL-UHFFFAOYSA-N 0 0 231.604 3.907 40 0 BHABRN COc1ccc2cc(CCCC(C)=O)ccc2c1 ZINC000095933185 175225111 /nfs/dbraw/zinc/22/51/11/175225111.db2.gz QQVKEMQOVISQTF-UHFFFAOYSA-N 0 0 242.318 3.760 40 0 BHABRN c1[nH]c2ncccc2c1C1CCCCC1 ZINC000095933571 384411989 /nfs/dbraw/zinc/41/19/89/384411989.db2.gz IOQSFOPSLYMGAO-UHFFFAOYSA-N 0 0 200.285 3.611 40 0 BHABRN Cc1ccc2sc(Br)nc2c1C ZINC000095950026 178990493 /nfs/dbraw/zinc/99/04/93/178990493.db2.gz OCRHSCQLNVFZEW-UHFFFAOYSA-N 0 0 242.141 3.676 40 0 BHABRN Cc1cc2nc(Br)sc2cc1C ZINC000095950027 178300902 /nfs/dbraw/zinc/30/09/02/178300902.db2.gz YKMJJBGLVGYOJZ-UHFFFAOYSA-N 0 0 242.141 3.676 40 0 BHABRN Cc1ccc2nc(Br)sc2c1C ZINC000095950030 178973553 /nfs/dbraw/zinc/97/35/53/178973553.db2.gz HHEDMTHRRHNMHK-UHFFFAOYSA-N 0 0 242.141 3.676 40 0 BHABRN COc1ccc(SCCC(F)(F)F)cc1 ZINC000096024782 175175566 /nfs/dbraw/zinc/17/55/66/175175566.db2.gz QRHQFTUAZAUMKC-UHFFFAOYSA-N 0 0 236.258 3.740 40 0 BHABRN CCOC1(OCC)C[C@@]2(C)CC[C@@H]1C2(C)C ZINC000096032005 170320255 /nfs/dbraw/zinc/32/02/55/170320255.db2.gz PXTXIHCAZPCYCG-DGCLKSJQSA-N 0 0 226.360 3.602 40 0 BHABRN FCCCCCn1ccc2ccccc21 ZINC000096032861 371389189 /nfs/dbraw/zinc/38/91/89/371389189.db2.gz CRRVPRNYXWCQPP-UHFFFAOYSA-N 0 0 205.276 3.781 40 0 in-vitro BHABRN CC[C@H](F)CCn1ccc2ccccc21 ZINC000096032889 371388640 /nfs/dbraw/zinc/38/86/40/371388640.db2.gz DJQBLVURAATKGQ-LBPRGKRZSA-N 0 0 205.276 3.780 40 0 in-vitro BHABRN CC[C@@H](F)CCn1ccc2ccccc21 ZINC000096032890 371388636 /nfs/dbraw/zinc/38/86/36/371388636.db2.gz DJQBLVURAATKGQ-GFCCVEGCSA-N 0 0 205.276 3.780 40 0 in-vitro BHABRN C[C@H](F)CCCn1ccc2ccccc21 ZINC000096032891 371389138 /nfs/dbraw/zinc/38/91/38/371389138.db2.gz KBLOSQQBEUFJES-NSHDSACASA-N 0 0 205.276 3.780 40 0 in-vitro BHABRN C[C@@H](F)CCCn1ccc2ccccc21 ZINC000096032892 371389114 /nfs/dbraw/zinc/38/91/14/371389114.db2.gz KBLOSQQBEUFJES-LLVKDONJSA-N 0 0 205.276 3.780 40 0 in-vitro BHABRN CCCCN(C(=O)CCC)c1cccs1 ZINC000096102444 384435176 /nfs/dbraw/zinc/43/51/76/384435176.db2.gz VZASOHQBVLBBMR-UHFFFAOYSA-N 0 0 225.357 3.681 40 0 BHABRN ClC12CC3C[C@H](C1)C(Cl)(Cl)[C@@H](C3)C2 ZINC000096194516 386591077 /nfs/dbraw/zinc/59/10/77/386591077.db2.gz BXRFNWKORDIKFK-VGKQMMLZSA-N 0 0 239.573 3.978 40 0 BHABRN Cc1cc2c(cc1C=O)[C@H](C)CC(C)(C)N2C ZINC000096234486 132431793 /nfs/dbraw/zinc/43/17/93/132431793.db2.gz PRPWVLDNXVKDIZ-LLVKDONJSA-N 0 0 231.339 3.530 40 0 BHABRN Cc1cc2c(cc1C=O)[C@@H](C)CC(C)(C)N2C ZINC000096234487 132431817 /nfs/dbraw/zinc/43/18/17/132431817.db2.gz PRPWVLDNXVKDIZ-NSHDSACASA-N 0 0 231.339 3.530 40 0 BHABRN CCCOc1c(C)cc(C(=O)CC)cc1C ZINC000096287885 169313230 /nfs/dbraw/zinc/31/32/30/169313230.db2.gz BZMZHKOJRDNCHU-UHFFFAOYSA-N 0 0 220.312 3.685 40 0 BHABRN CCC(=O)c1cc(C)c(OC(C)C)c(C)c1 ZINC000096291506 168254451 /nfs/dbraw/zinc/25/44/51/168254451.db2.gz VGEMVUZZXDGLCS-UHFFFAOYSA-N 0 0 220.312 3.683 40 0 BHABRN O=Cc1c2cc(F)ccc2[nH]c1-c1ccsc1 ZINC000096295477 182858972 /nfs/dbraw/zinc/85/89/72/182858972.db2.gz SQSXIZBIBKPMKH-UHFFFAOYSA-N 0 0 245.278 3.848 40 0 BHABRN CC(C)c1cnc(-c2ccccc2)nc1Cl ZINC000096311255 371460950 /nfs/dbraw/zinc/46/09/50/371460950.db2.gz RKUDIWMRPNVXIQ-UHFFFAOYSA-N 0 0 232.714 3.920 40 0 BHABRN CC(C)c1cnc(C(C)(C)C)nc1Cl ZINC000096311262 386595252 /nfs/dbraw/zinc/59/52/52/386595252.db2.gz OGCCRJSHWRNOSF-UHFFFAOYSA-N 0 0 212.724 3.551 40 0 BHABRN CSc1ncc(-c2ccccc2)c(Cl)n1 ZINC000096311264 388816328 /nfs/dbraw/zinc/81/63/28/388816328.db2.gz GNJCIRMYWZTLFI-UHFFFAOYSA-N 0 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ZINC000096311524 343667089 /nfs/dbraw/zinc/66/70/89/343667089.db2.gz LFKAJKINPRAGQZ-UHFFFAOYSA-N 0 0 243.697 3.587 40 0 BHABRN Cc1ccc(-c2nc3ccc(Cl)nc3[nH]2)cc1 ZINC000096311536 343666384 /nfs/dbraw/zinc/66/63/84/343666384.db2.gz SWMSGGWLBKJOFW-UHFFFAOYSA-N 0 0 243.697 3.587 40 0 BHABRN Cc1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1 ZINC000096311643 343668397 /nfs/dbraw/zinc/66/83/97/343668397.db2.gz KTPMVYSEPVQYSY-UHFFFAOYSA-N 0 0 243.697 3.587 40 0 BHABRN O=c1cccc(-c2ccc(-c3ccccc3)cc2)[nH]1 ZINC000096311887 183001942 /nfs/dbraw/zinc/00/19/42/183001942.db2.gz QQWDQHZMQHDJLT-UHFFFAOYSA-N 0 0 247.297 3.709 40 0 BHABRN CCCc1ccc(-c2ccc(O)c(C=O)c2)cc1 ZINC000096312801 343669231 /nfs/dbraw/zinc/66/92/31/343669231.db2.gz WGTDTLCYNXQSDN-UHFFFAOYSA-N 0 0 240.302 3.824 40 0 BHABRN Cc1ccc(Cl)cc1-c1ccc(O)c(C=O)c1 ZINC000096312813 343669205 /nfs/dbraw/zinc/66/92/05/343669205.db2.gz MUOBDNXUXLZGFV-UHFFFAOYSA-N 0 0 246.693 3.834 40 0 BHABRN CC(C)c1ccc(-c2ccc(O)c(C=O)c2)cc1 ZINC000096312823 343669744 /nfs/dbraw/zinc/66/97/44/343669744.db2.gz JMHJVTQFJCIVPL-UHFFFAOYSA-N 0 0 240.302 3.995 40 0 BHABRN O=Cc1cc(-c2ccc(Cl)s2)ccc1O ZINC000096312824 182861096 /nfs/dbraw/zinc/86/10/96/182861096.db2.gz AYXBMZGWERTXRR-UHFFFAOYSA-N 0 0 238.695 3.587 40 0 BHABRN O=Cc1cc(-c2ccsc2Cl)ccc1O ZINC000096312831 384883895 /nfs/dbraw/zinc/88/38/95/384883895.db2.gz HNFNHVBWQNHWGX-UHFFFAOYSA-N 0 0 238.695 3.587 40 0 BHABRN Cc1ccc(Cl)c(-c2ccc(O)c(C=O)c2)c1 ZINC000096312841 343669938 /nfs/dbraw/zinc/66/99/38/343669938.db2.gz YGCGNCALQKPQSD-UHFFFAOYSA-N 0 0 246.693 3.834 40 0 BHABRN CC(C)c1cccc(-c2ccc(O)c(C=O)c2)c1 ZINC000096312849 343669877 /nfs/dbraw/zinc/66/98/77/343669877.db2.gz NTVHBOQHTKULER-UHFFFAOYSA-N 0 0 240.302 3.995 40 0 BHABRN Cc1cc(C)c(-c2ccc(O)c(C=O)c2)c(C)c1 ZINC000096312907 343669470 /nfs/dbraw/zinc/66/94/70/343669470.db2.gz RAJBPYRYHUNIPQ-UHFFFAOYSA-N 0 0 240.302 3.797 40 0 BHABRN FCCCCOc1ccccc1Br ZINC000096509066 385237424 /nfs/dbraw/zinc/23/74/24/385237424.db2.gz DMSOMZHEMBPNFH-UHFFFAOYSA-N 0 0 247.107 3.578 40 0 BHABRN FCCCCOc1cccc(Br)c1 ZINC000096509067 385238186 /nfs/dbraw/zinc/23/81/86/385238186.db2.gz SUSUBTQMXQTJKM-UHFFFAOYSA-N 0 0 247.107 3.578 40 0 BHABRN Fc1cnccc1SCc1ccccc1 ZINC000096510376 181020745 /nfs/dbraw/zinc/02/07/45/181020745.db2.gz DCFDBFVVRVMKDS-UHFFFAOYSA-N 0 0 219.284 3.513 40 0 BHABRN O=c1[nH]c2c(Cl)cc(Cl)cc2cc1Cl ZINC000096511256 187976510 /nfs/dbraw/zinc/97/65/10/187976510.db2.gz CRQLNLTZHUAPFM-UHFFFAOYSA-N 0 0 248.496 3.901 40 0 BHABRN CC(C)Cc1csc2ncnc(Cl)c12 ZINC000096511406 187289039 /nfs/dbraw/zinc/28/90/39/187289039.db2.gz DKUQFRZCIDTYDA-UHFFFAOYSA-N 0 0 226.732 3.543 40 0 BHABRN CCCCNc1c(Cl)cc(N)cc1Cl ZINC000096524268 385275691 /nfs/dbraw/zinc/27/56/91/385275691.db2.gz DBBQQQXTYCHXBB-UHFFFAOYSA-N 0 0 233.142 3.788 40 0 BHABRN CC(C)CNc1c(Cl)cc(N)cc1Cl ZINC000096524288 167015226 /nfs/dbraw/zinc/01/52/26/167015226.db2.gz GHAVIYJAPFLADK-UHFFFAOYSA-N 0 0 233.142 3.644 40 0 BHABRN CCCCCOc1cc(C)cc(C)c1C=O ZINC000096526203 385276993 /nfs/dbraw/zinc/27/69/93/385276993.db2.gz IDYHXKNYXOFRDI-UHFFFAOYSA-N 0 0 220.312 3.685 40 0 BHABRN Cc1cc(C)c(C=O)c(OCC2CC(C)C2)c1 ZINC000096526211 385277205 /nfs/dbraw/zinc/27/72/05/385277205.db2.gz ORXZMHHDZFMIOZ-UHFFFAOYSA-N 0 0 232.323 3.541 40 0 BHABRN Cc1cc(C)c(C=O)c(OCC2CCCC2)c1 ZINC000096526213 177855402 /nfs/dbraw/zinc/85/54/02/177855402.db2.gz YYWHUOFHYOVWSH-UHFFFAOYSA-N 0 0 232.323 3.685 40 0 BHABRN Cc1ccc([C@@H]2COc3ccccc3N2)cc1 ZINC000096531117 385283165 /nfs/dbraw/zinc/28/31/65/385283165.db2.gz LBZGHKVTRNVOHW-AWEZNQCLSA-N 0 0 225.291 3.541 40 0 BHABRN Cc1ccc([C@H]2COc3ccccc3N2)cc1 ZINC000096531119 178921655 /nfs/dbraw/zinc/92/16/55/178921655.db2.gz LBZGHKVTRNVOHW-CQSZACIVSA-N 0 0 225.291 3.541 40 0 BHABRN Clc1ccc([C@@H]2COc3ccccc3N2)cc1 ZINC000096531121 385283253 /nfs/dbraw/zinc/28/32/53/385283253.db2.gz BNFQIVBGTSBXGX-ZDUSSCGKSA-N 0 0 245.709 3.886 40 0 BHABRN Clc1ccc([C@H]2COc3ccccc3N2)cc1 ZINC000096531122 385283324 /nfs/dbraw/zinc/28/33/24/385283324.db2.gz BNFQIVBGTSBXGX-CYBMUJFWSA-N 0 0 245.709 3.886 40 0 BHABRN Clc1cccc([C@@H]2COc3ccccc3N2)c1 ZINC000096531124 385281834 /nfs/dbraw/zinc/28/18/34/385281834.db2.gz FDSIBOINIFECHY-ZDUSSCGKSA-N 0 0 245.709 3.886 40 0 BHABRN Clc1cccc([C@H]2COc3ccccc3N2)c1 ZINC000096531126 385281607 /nfs/dbraw/zinc/28/16/07/385281607.db2.gz FDSIBOINIFECHY-CYBMUJFWSA-N 0 0 245.709 3.886 40 0 BHABRN CCc1ccc([C@@H]2COc3ccccc3N2)cc1 ZINC000096531137 385282198 /nfs/dbraw/zinc/28/21/98/385282198.db2.gz MWFFCCAOBTYEHQ-HNNXBMFYSA-N 0 0 239.318 3.795 40 0 BHABRN CCc1ccc([C@H]2COc3ccccc3N2)cc1 ZINC000096531139 171846043 /nfs/dbraw/zinc/84/60/43/171846043.db2.gz MWFFCCAOBTYEHQ-OAHLLOKOSA-N 0 0 239.318 3.795 40 0 BHABRN Fc1cc(F)cc([C@@H]2COc3ccccc3N2)c1 ZINC000096531145 180955273 /nfs/dbraw/zinc/95/52/73/180955273.db2.gz GPEQMBGPQMUIBV-ZDUSSCGKSA-N 0 0 247.244 3.510 40 0 BHABRN Fc1cc(F)cc([C@H]2COc3ccccc3N2)c1 ZINC000096531147 385283061 /nfs/dbraw/zinc/28/30/61/385283061.db2.gz GPEQMBGPQMUIBV-CYBMUJFWSA-N 0 0 247.244 3.510 40 0 BHABRN Clc1ccc2c(c1)N[C@H](c1ccccc1)CO2 ZINC000096531154 386606412 /nfs/dbraw/zinc/60/64/12/386606412.db2.gz BEXZUOFJVYTTKY-ZDUSSCGKSA-N 0 0 245.709 3.886 40 0 BHABRN Clc1ccc2c(c1)N[C@@H](c1ccccc1)CO2 ZINC000096531156 180587921 /nfs/dbraw/zinc/58/79/21/180587921.db2.gz BEXZUOFJVYTTKY-CYBMUJFWSA-N 0 0 245.709 3.886 40 0 BHABRN Clc1ccc2c(c1)OC[C@@H](c1ccccc1)N2 ZINC000096531208 385281637 /nfs/dbraw/zinc/28/16/37/385281637.db2.gz DLHKDLJXRIOISG-ZDUSSCGKSA-N 0 0 245.709 3.886 40 0 BHABRN Clc1ccc2c(c1)OC[C@H](c1ccccc1)N2 ZINC000096531209 180587621 /nfs/dbraw/zinc/58/76/21/180587621.db2.gz DLHKDLJXRIOISG-CYBMUJFWSA-N 0 0 245.709 3.886 40 0 BHABRN Cc1ccc2c(c1)N[C@H](c1cccc(F)c1)CO2 ZINC000096531260 385281958 /nfs/dbraw/zinc/28/19/58/385281958.db2.gz BXLJDWGIQUDABW-AWEZNQCLSA-N 0 0 243.281 3.680 40 0 BHABRN Cc1ccc2c(c1)N[C@@H](c1cccc(F)c1)CO2 ZINC000096531262 178946999 /nfs/dbraw/zinc/94/69/99/178946999.db2.gz BXLJDWGIQUDABW-CQSZACIVSA-N 0 0 243.281 3.680 40 0 BHABRN Cc1ccc2c(c1)N[C@H](c1ccc(F)cc1)CO2 ZINC000096531264 178947173 /nfs/dbraw/zinc/94/71/73/178947173.db2.gz KAACGSWPNRDDHJ-AWEZNQCLSA-N 0 0 243.281 3.680 40 0 BHABRN Cc1ccc2c(c1)N[C@@H](c1ccc(F)cc1)CO2 ZINC000096531266 385282711 /nfs/dbraw/zinc/28/27/11/385282711.db2.gz KAACGSWPNRDDHJ-CQSZACIVSA-N 0 0 243.281 3.680 40 0 BHABRN Cc1ccc([C@@H]2COc3ccc(C)cc3N2)cc1 ZINC000096531273 385283194 /nfs/dbraw/zinc/28/31/94/385283194.db2.gz VESXMQFNNSNMBM-HNNXBMFYSA-N 0 0 239.318 3.849 40 0 BHABRN Cc1ccc([C@H]2COc3ccc(C)cc3N2)cc1 ZINC000096531276 385283455 /nfs/dbraw/zinc/28/34/55/385283455.db2.gz VESXMQFNNSNMBM-OAHLLOKOSA-N 0 0 239.318 3.849 40 0 BHABRN Cc1ccc2c(c1)N[C@H](c1cccs1)CO2 ZINC000096531306 386607321 /nfs/dbraw/zinc/60/73/21/386607321.db2.gz GGLHQGHLIVGRJC-NSHDSACASA-N 0 0 231.320 3.602 40 0 BHABRN Cc1ccc2c(c1)N[C@@H](c1cccs1)CO2 ZINC000096531308 386606332 /nfs/dbraw/zinc/60/63/32/386606332.db2.gz GGLHQGHLIVGRJC-LLVKDONJSA-N 0 0 231.320 3.602 40 0 BHABRN Cc1ccc2c(c1)OC[C@H](c1ccccc1)N2 ZINC000096531311 385283159 /nfs/dbraw/zinc/28/31/59/385283159.db2.gz CSQHIAHUKJDEEQ-CQSZACIVSA-N 0 0 225.291 3.541 40 0 BHABRN Cc1ccc2c(c1)OC[C@@H](c1ccccc1)N2 ZINC000096531313 385282783 /nfs/dbraw/zinc/28/27/83/385282783.db2.gz CSQHIAHUKJDEEQ-AWEZNQCLSA-N 0 0 225.291 3.541 40 0 BHABRN Cc1ccc2c(c1)OC[C@H](c1cccc(F)c1)N2 ZINC000096531316 385282373 /nfs/dbraw/zinc/28/23/73/385282373.db2.gz UBKPPVVFGBUZCI-CQSZACIVSA-N 0 0 243.281 3.680 40 0 BHABRN Cc1ccc2c(c1)OC[C@@H](c1cccc(F)c1)N2 ZINC000096531318 385282627 /nfs/dbraw/zinc/28/26/27/385282627.db2.gz UBKPPVVFGBUZCI-AWEZNQCLSA-N 0 0 243.281 3.680 40 0 BHABRN Cc1ccc2c(c1)OC[C@H](c1ccc(F)cc1)N2 ZINC000096531320 178948223 /nfs/dbraw/zinc/94/82/23/178948223.db2.gz ZOWVNIJKJNBHEB-CQSZACIVSA-N 0 0 243.281 3.680 40 0 BHABRN Cc1ccc2c(c1)OC[C@@H](c1ccc(F)cc1)N2 ZINC000096531322 385282975 /nfs/dbraw/zinc/28/29/75/385282975.db2.gz ZOWVNIJKJNBHEB-AWEZNQCLSA-N 0 0 243.281 3.680 40 0 BHABRN Cc1ccc([C@@H]2COc3cc(C)ccc3N2)cc1 ZINC000096531328 385282795 /nfs/dbraw/zinc/28/27/95/385282795.db2.gz VGFWZVLTOXCAGZ-HNNXBMFYSA-N 0 0 239.318 3.849 40 0 BHABRN Cc1ccc([C@H]2COc3cc(C)ccc3N2)cc1 ZINC000096531330 178922894 /nfs/dbraw/zinc/92/28/94/178922894.db2.gz VGFWZVLTOXCAGZ-OAHLLOKOSA-N 0 0 239.318 3.849 40 0 BHABRN Cc1ccc2c(c1)OC[C@H](c1cccs1)N2 ZINC000096531356 178949009 /nfs/dbraw/zinc/94/90/09/178949009.db2.gz MSJLLQFFHJYLKY-LLVKDONJSA-N 0 0 231.320 3.602 40 0 BHABRN Cc1ccc2c(c1)OC[C@@H](c1cccs1)N2 ZINC000096531358 385282146 /nfs/dbraw/zinc/28/21/46/385282146.db2.gz MSJLLQFFHJYLKY-NSHDSACASA-N 0 0 231.320 3.602 40 0 BHABRN C[C@@](O)(c1ccc(F)c2ccccc21)C1CC1 ZINC000096543357 385289019 /nfs/dbraw/zinc/28/90/19/385289019.db2.gz VFNAVQQYXNBAGS-HNNXBMFYSA-N 0 0 230.282 3.596 40 0 BHABRN C[C@](O)(c1ccc(F)c2ccccc21)C1CC1 ZINC000096543358 385290215 /nfs/dbraw/zinc/29/02/15/385290215.db2.gz VFNAVQQYXNBAGS-OAHLLOKOSA-N 0 0 230.282 3.596 40 0 BHABRN Cc1cc([C@](C)(O)C2CC2)cc(C)c1Cl ZINC000096543374 178268931 /nfs/dbraw/zinc/26/89/31/178268931.db2.gz LDRIQRQXJLGUGI-CYBMUJFWSA-N 0 0 224.731 3.574 40 0 BHABRN Cc1cc([C@@](C)(O)C2CC2)cc(C)c1Cl ZINC000096543375 178243319 /nfs/dbraw/zinc/24/33/19/178243319.db2.gz LDRIQRQXJLGUGI-ZDUSSCGKSA-N 0 0 224.731 3.574 40 0 BHABRN CCc1cc([C@](C)(O)C2CC2)ccc1Cl ZINC000096543376 385289230 /nfs/dbraw/zinc/28/92/30/385289230.db2.gz AFWIQFXSTQHSEP-CYBMUJFWSA-N 0 0 224.731 3.520 40 0 BHABRN CCc1cc([C@@](C)(O)C2CC2)ccc1Cl ZINC000096543377 171774618 /nfs/dbraw/zinc/77/46/18/171774618.db2.gz AFWIQFXSTQHSEP-ZDUSSCGKSA-N 0 0 224.731 3.520 40 0 BHABRN CC(C)(C)c1cccc([C@](C)(O)C2CC2)c1 ZINC000096543385 188017544 /nfs/dbraw/zinc/01/75/44/188017544.db2.gz RCBVMHQDOSIXKO-OAHLLOKOSA-N 0 0 218.340 3.602 40 0 BHABRN CC(C)(C)c1cccc([C@@](C)(O)C2CC2)c1 ZINC000096543386 187326938 /nfs/dbraw/zinc/32/69/38/187326938.db2.gz RCBVMHQDOSIXKO-HNNXBMFYSA-N 0 0 218.340 3.602 40 0 BHABRN C[C@@](O)(c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000096543387 398254605 /nfs/dbraw/zinc/25/46/05/398254605.db2.gz JCLHLUXGGZAWMX-NSHDSACASA-N 0 0 231.122 3.611 40 0 BHABRN C[C@](O)(c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000096543388 398254749 /nfs/dbraw/zinc/25/47/49/398254749.db2.gz JCLHLUXGGZAWMX-LLVKDONJSA-N 0 0 231.122 3.611 40 0 BHABRN CC[C@H](O)Cc1ccc(-c2ccccc2)cc1 ZINC000096543482 385290418 /nfs/dbraw/zinc/29/04/18/385290418.db2.gz PFHHNSRKRVOHQB-INIZCTEOSA-N 0 0 226.319 3.667 40 0 BHABRN CC[C@@H](O)Cc1ccc(-c2ccccc2)cc1 ZINC000096543483 343764695 /nfs/dbraw/zinc/76/46/95/343764695.db2.gz PFHHNSRKRVOHQB-MRXNPFEDSA-N 0 0 226.319 3.667 40 0 BHABRN CCCCCNC(=O)CCc1ccc(C)c(C)c1 ZINC000096621707 384467383 /nfs/dbraw/zinc/46/73/83/384467383.db2.gz POSWKGFOKROBST-UHFFFAOYSA-N 0 0 247.382 3.542 40 0 BHABRN C=Cc1ccc(Cl)cc1Br ZINC000097436585 188148805 /nfs/dbraw/zinc/14/88/05/188148805.db2.gz RQYHFZZVFALSDZ-UHFFFAOYSA-N 0 0 217.493 3.746 40 0 BHABRN C=Cc1cccc(Cl)c1Br ZINC000097436586 384520748 /nfs/dbraw/zinc/52/07/48/384520748.db2.gz FYHDORAMMWTJCG-UHFFFAOYSA-N 0 0 217.493 3.746 40 0 BHABRN C=Cc1cc(Cl)c(Br)cc1F ZINC000097436587 384519536 /nfs/dbraw/zinc/51/95/36/384519536.db2.gz QQDDCMJIWHENSE-UHFFFAOYSA-N 0 0 235.483 3.885 40 0 BHABRN C=Cc1cc(Cl)cc(OC(F)(F)F)c1 ZINC000097439017 384520660 /nfs/dbraw/zinc/52/06/60/384520660.db2.gz JEUJJQLFIVTWNS-UHFFFAOYSA-N 0 0 222.593 3.882 40 0 BHABRN O=C1C[C@H](c2cccc(F)c2)Nc2ccccc21 ZINC000097758167 397952200 /nfs/dbraw/zinc/95/22/00/397952200.db2.gz OFMYHGKRXHMROV-CQSZACIVSA-N 0 0 241.265 3.565 40 0 BHABRN O=C1C[C@@H](c2cccc(F)c2)Nc2ccccc21 ZINC000097758168 182777762 /nfs/dbraw/zinc/77/77/62/182777762.db2.gz OFMYHGKRXHMROV-AWEZNQCLSA-N 0 0 241.265 3.565 40 0 BHABRN CCC[C@H](F)Cn1ccc2ccccc21 ZINC000097758833 342838096 /nfs/dbraw/zinc/83/80/96/342838096.db2.gz SPWGOILFUYHPLW-LBPRGKRZSA-N 0 0 205.276 3.780 40 0 in-vitro BHABRN CCC[C@@H](F)Cn1ccc2ccccc21 ZINC000097758834 342838135 /nfs/dbraw/zinc/83/81/35/342838135.db2.gz SPWGOILFUYHPLW-GFCCVEGCSA-N 0 0 205.276 3.780 40 0 in-vitro BHABRN Cc1nc(N)sc1-c1ccc(CC(C)C)cc1 ZINC000098044911 187581832 /nfs/dbraw/zinc/58/18/32/187581832.db2.gz FDRYCSTZDVPZLC-UHFFFAOYSA-N 0 0 246.379 3.899 40 0 BHABRN O=Cc1ccc(-c2cc(F)cc(F)c2)c(F)c1 ZINC000098087489 384588449 /nfs/dbraw/zinc/58/84/49/384588449.db2.gz BNIFVZNUYYQLIT-UHFFFAOYSA-N 0 0 236.192 3.583 40 0 BHABRN Oc1ccc(-c2cc(F)c(F)c(F)c2)c(F)c1 ZINC000098087498 183263870 /nfs/dbraw/zinc/26/38/70/183263870.db2.gz BMSYKBWEFGWDKT-UHFFFAOYSA-N 0 0 242.171 3.616 40 0 BHABRN c1ccc2c(c1)CCC1(CCCCC1)N2 ZINC000098091323 387851889 /nfs/dbraw/zinc/85/18/89/387851889.db2.gz JEJQRVJSXXFLEO-UHFFFAOYSA-N 0 0 201.313 3.748 40 0 BHABRN Cc1cc(Oc2ccc3[nH]ccc3c2)ccn1 ZINC000098175334 178214854 /nfs/dbraw/zinc/21/48/54/178214854.db2.gz LVBKUDMMQMHDAV-UHFFFAOYSA-N 0 0 224.263 3.664 40 0 BHABRN Fc1ccc(Cl)c(-c2cc(Cl)ccn2)n1 ZINC000098175338 384596469 /nfs/dbraw/zinc/59/64/69/384596469.db2.gz BOGIDBLQBPUFNU-UHFFFAOYSA-N 0 0 243.068 3.590 40 0 BHABRN Fc1cccc(Oc2ccc(Cl)nc2)c1 ZINC000098175411 181002967 /nfs/dbraw/zinc/00/29/67/181002967.db2.gz VQJFKTOGRFPZEZ-UHFFFAOYSA-N 0 0 223.634 3.666 40 0 BHABRN Cn1ccc2cccc(OCc3ccccc3)c21 ZINC000098175433 384598603 /nfs/dbraw/zinc/59/86/03/384598603.db2.gz XXYLKHKDFDMHKP-UHFFFAOYSA-N 0 0 237.302 3.757 40 0 BHABRN Cc1c(F)c(Cl)ccc1NC(=O)C(C)(C)C ZINC000098175537 384598920 /nfs/dbraw/zinc/59/89/20/384598920.db2.gz PTCKEGMLVSYBKW-UHFFFAOYSA-N 0 0 243.709 3.772 40 0 BHABRN CC(C)(C)S[C@@H]1CC(=O)c2ccccc21 ZINC000098175542 384599642 /nfs/dbraw/zinc/59/96/42/384599642.db2.gz LCGDIGKSZFHBGH-GFCCVEGCSA-N 0 0 220.337 3.846 40 0 BHABRN CC(C)(C)S[C@H]1CC(=O)c2ccccc21 ZINC000098175543 384599438 /nfs/dbraw/zinc/59/94/38/384599438.db2.gz LCGDIGKSZFHBGH-LBPRGKRZSA-N 0 0 220.337 3.846 40 0 BHABRN OCc1cc(Cl)c(Cl)c(C(F)(F)F)c1 ZINC000098210797 183161982 /nfs/dbraw/zinc/16/19/82/183161982.db2.gz ZDTFSOBHRIJCAX-UHFFFAOYSA-N 0 0 245.027 3.505 40 0 BHABRN F[C@H]1C[C@@H](F)[C@@H](F)[C@@H](c2ccccc2)C1 ZINC000098213217 344545155 /nfs/dbraw/zinc/54/51/55/344545155.db2.gz WGKUQXLPNSXGNG-KKOKHZNYSA-N 0 0 214.230 3.578 40 0 BHABRN F[C@H]1C[C@@H](F)[C@H](F)[C@@H](c2ccccc2)C1 ZINC000098213218 344545168 /nfs/dbraw/zinc/54/51/68/344545168.db2.gz WGKUQXLPNSXGNG-DDHJBXDOSA-N 0 0 214.230 3.578 40 0 BHABRN CCN(CC)c1c(Cl)cccc1Cl ZINC000098213409 384605462 /nfs/dbraw/zinc/60/54/62/384605462.db2.gz HPFXGVBIEQKTKY-UHFFFAOYSA-N 0 0 218.127 3.840 40 0 BHABRN Fc1ccc2c(CC3CCC3)c[nH]c2c1 ZINC000098213767 180984574 /nfs/dbraw/zinc/98/45/74/180984574.db2.gz RWHPEYDRJJUZCG-UHFFFAOYSA-N 0 0 203.260 3.650 40 0 BHABRN Fc1ccc2[nH]cc(CC3CCC3)c2c1 ZINC000098213770 180984878 /nfs/dbraw/zinc/98/48/78/180984878.db2.gz FWVAPAMMFADNFM-UHFFFAOYSA-N 0 0 203.260 3.650 40 0 BHABRN Fc1cccc2[nH]cc(CC3CCC3)c21 ZINC000098213772 181003913 /nfs/dbraw/zinc/00/39/13/181003913.db2.gz JLPCUDLMHINTER-UHFFFAOYSA-N 0 0 203.260 3.650 40 0 BHABRN CCN1c2ccccc2Nc2ccccc21 ZINC000100006864 384275282 /nfs/dbraw/zinc/27/52/82/384275282.db2.gz BYFDOJZLQJYMJF-UHFFFAOYSA-N 0 0 210.280 3.902 40 0 in-vitro BHABRN C[C@H]1C(=O)Nc2ccc(Oc3ccccc3)cc21 ZINC000100025669 177060489 /nfs/dbraw/zinc/06/04/89/177060489.db2.gz IIKIJJJITNWFBC-SNVBAGLBSA-N 0 0 239.274 3.535 40 0 BHABRN C/C1=C\CC[C@H](C)C(=O)C[C@H](C(C)C)C(=O)C1 ZINC000100037270 387471851 /nfs/dbraw/zinc/47/18/51/387471851.db2.gz KDPFMRXIVDLQKX-OAIDTJHVSA-N 0 0 236.355 3.553 40 0 biogenic,in-vitro BHABRN CC1=CC[C@H](CC[C@H](C)[C@H](C)O)C1(C)C ZINC000100051131 168120388 /nfs/dbraw/zinc/12/03/88/168120388.db2.gz NGYMOTOXXHCHOC-DRZSPHRISA-N 0 0 210.361 3.776 40 0 BHABRN CC1=CC[C@H](CC[C@@H](C)[C@H](C)O)C1(C)C ZINC000100051135 168120042 /nfs/dbraw/zinc/12/00/42/168120042.db2.gz NGYMOTOXXHCHOC-WXHSDQCUSA-N 0 0 210.361 3.776 40 0 BHABRN C[C@H]1c2c(ccc3ccccc23)N(C)[C@H]1C ZINC000100058012 177436597 /nfs/dbraw/zinc/43/65/97/177436597.db2.gz DSSGJUZVTCMDDN-MNOVXSKESA-N 0 0 211.308 3.782 40 0 BHABRN Nc1cc(-c2cccc(Cl)c2)cs1 ZINC000100460192 384641585 /nfs/dbraw/zinc/64/15/85/384641585.db2.gz YBENWBHIGQOKEQ-UHFFFAOYSA-N 0 0 209.701 3.651 40 0 BHABRN C[C@H]1CC[C@H]2[C@H](O1)c1ccccc1OC2(C)C ZINC000100473469 177207589 /nfs/dbraw/zinc/20/75/89/177207589.db2.gz QTLDMKVNVOUSIV-VHRBIJSZSA-N 0 0 232.323 3.714 40 0 BHABRN O=C(CC1=CCCCC1)c1ccccc1 ZINC000100476803 384642867 /nfs/dbraw/zinc/64/28/67/384642867.db2.gz FSNQTROARHXTQN-UHFFFAOYSA-N 0 0 200.281 3.760 40 0 BHABRN F[C@@H]1C[C@H](F)[C@H](F)[C@H](c2ccccc2)[C@@H]1F ZINC000100758759 343279918 /nfs/dbraw/zinc/27/99/18/343279918.db2.gz XZWXDRXBDVODDH-ZGIVBDMPSA-N 0 0 232.220 3.526 40 0 BHABRN CC1=C[C@@H](C)[C@@H]([C@H]2O[C@@H](C)C(C)(C)O2)[C@@H](C)C1 ZINC000101278666 168125629 /nfs/dbraw/zinc/12/56/29/168125629.db2.gz DBIIWUMZCRECQE-HTOAHKCRSA-N 0 0 238.371 3.765 40 0 BHABRN CC1=C[C@@H](C)[C@@H]([C@H]2O[C@@H](C)C(C)(C)O2)[C@H](C)C1 ZINC000101278669 168125502 /nfs/dbraw/zinc/12/55/02/168125502.db2.gz DBIIWUMZCRECQE-RGDJUOJXSA-N 0 0 238.371 3.765 40 0 BHABRN CC1=C[C@@H](C)[C@H]([C@H]2O[C@@H](C)C(C)(C)O2)[C@@H](C)C1 ZINC000101278673 168124838 /nfs/dbraw/zinc/12/48/38/168124838.db2.gz DBIIWUMZCRECQE-QMVSFRDZSA-N 0 0 238.371 3.765 40 0 BHABRN CC1=C[C@@H](C)[C@H]([C@H]2O[C@@H](C)C(C)(C)O2)[C@H](C)C1 ZINC000101278675 168125144 /nfs/dbraw/zinc/12/51/44/168125144.db2.gz DBIIWUMZCRECQE-DGTMBMJNSA-N 0 0 238.371 3.765 40 0 BHABRN Cc1ccc(Oc2cc(C)c(N)c(C)c2)cc1 ZINC000101435032 384672056 /nfs/dbraw/zinc/67/20/56/384672056.db2.gz NUSFPHNXTGTDRV-UHFFFAOYSA-N 0 0 227.307 3.986 40 0 BHABRN CC1=C(C)N2CCCc3ccccc3N=C2S1 ZINC000101513031 168086291 /nfs/dbraw/zinc/08/62/91/168086291.db2.gz UWFQBJBZQCFGKZ-UHFFFAOYSA-N 0 0 244.363 3.921 40 0 BHABRN Cc1cc([C@@H]2C[C@@H]3CC[C@H]2C3)cc(C)c1O ZINC000101811733 178242779 /nfs/dbraw/zinc/24/27/79/178242779.db2.gz OYGWGOYYCCNMSN-MBNYWOFBSA-N 0 0 216.324 3.913 40 0 BHABRN Cc1cc([C@H]2C[C@@H]3CC[C@H]2C3)cc(C)c1O ZINC000101811736 178269316 /nfs/dbraw/zinc/26/93/16/178269316.db2.gz OYGWGOYYCCNMSN-DYEKYZERSA-N 0 0 216.324 3.913 40 0 BHABRN Fc1ccccc1-c1cn2cc(Cl)ccc2n1 ZINC000101957519 344427236 /nfs/dbraw/zinc/42/72/36/344427236.db2.gz 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386502489 /nfs/dbraw/zinc/50/24/89/386502489.db2.gz ZRSONUFNSFDFCU-UHFFFAOYSA-N 0 0 244.519 3.594 40 0 BHABRN Fc1cc(Br)c(F)c(Cl)c1F ZINC000238568260 187676448 /nfs/dbraw/zinc/67/64/48/187676448.db2.gz VYULIZVZKXJRMU-UHFFFAOYSA-N 0 0 245.425 3.520 40 0 BHABRN Cc1nc(-c2ccccc2Cl)ccc1C=O ZINC000242473282 388763984 /nfs/dbraw/zinc/76/39/84/388763984.db2.gz FEXFSDYTTMSARW-UHFFFAOYSA-N 0 0 231.682 3.523 40 0 BHABRN Nc1nccc(Cl)c1-c1ccc(Cl)cc1 ZINC000242548408 384000698 /nfs/dbraw/zinc/00/06/98/384000698.db2.gz LJHIIBJIUBEZBJ-UHFFFAOYSA-N 0 0 239.105 3.638 40 0 BHABRN FC(F)c1nc2ccncc2c(Cl)c1Cl ZINC000242648781 259326348 /nfs/dbraw/zinc/32/63/48/259326348.db2.gz RHKNCQXJRNHBIT-UHFFFAOYSA-N 0 0 249.047 3.874 40 0 BHABRN CC1(C)[C@]2(C)CC[C@@]1(c1ccccc1)C[C@H]2O ZINC000242687698 168005596 /nfs/dbraw/zinc/00/55/96/168005596.db2.gz UQWINQZYHKEJHU-BMFZPTHFSA-N 0 0 230.351 3.515 40 0 BHABRN Cc1cnc(Cl)c(SC(F)(F)F)c1 ZINC000242718329 384734579 /nfs/dbraw/zinc/73/45/79/384734579.db2.gz 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ZINC000256050876 183406017 /nfs/dbraw/zinc/40/60/17/183406017.db2.gz GVEVVUNYUFZUCB-UHFFFAOYSA-N 0 0 241.338 3.610 40 0 BHABRN CC[C@@H](C)n1ccc(NCc2cccc(F)c2)n1 ZINC000256050995 170809850 /nfs/dbraw/zinc/80/98/50/170809850.db2.gz HHOYIWZYALNWOC-LLVKDONJSA-N 0 0 247.317 3.605 40 0 BHABRN CC[C@H](C)n1ccc(NCc2cccc(F)c2)n1 ZINC000256050996 171416362 /nfs/dbraw/zinc/41/63/62/171416362.db2.gz HHOYIWZYALNWOC-NSHDSACASA-N 0 0 247.317 3.605 40 0 BHABRN Nc1cc(-c2ccccc2Cl)cs1 ZINC000256051297 351033623 /nfs/dbraw/zinc/03/36/23/351033623.db2.gz IOXVWYFWQVRCEH-UHFFFAOYSA-N 0 0 209.701 3.651 40 0 BHABRN Cc1cccc(NC[C@@H]2CC[C@@H]2C)c1C ZINC000256051406 370636188 /nfs/dbraw/zinc/63/61/88/370636188.db2.gz JBAXFKGUDMFLHZ-AAEUAGOBSA-N 0 0 203.329 3.761 40 0 BHABRN Cc1cccc(NC[C@H]2CC[C@H]2C)c1C ZINC000256051407 370635911 /nfs/dbraw/zinc/63/59/11/370635911.db2.gz JBAXFKGUDMFLHZ-DGCLKSJQSA-N 0 0 203.329 3.761 40 0 BHABRN Cc1cccc(NC[C@H]2CC[C@@H]2C)c1C ZINC000256051408 370635828 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